data_2juh_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 2juh _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 ' 581' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.855 0.36 . . . . 70.41 110.894 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 582' ' ' VAL . . . . . . . . . . . . . 15.2 m -51.49 -38.72 21.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 72.52 111.13 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -69.58 -38.23 77.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 75.13 111.127 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 584' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -71.31 -55.25 8.41 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.157 -0.474 . . . . 70.01 110.9 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 585' ' ' VAL . . . . . . . . . . . . . 2.9 p -60.23 -33.31 53.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.15 -0.477 . . . . 73.54 111.076 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -50.91 -30.46 14.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 74.31 110.845 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 587' ' ' ALA . . . . . . . . . . . . . . . -78.85 -37.46 40.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 65.3 111.075 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 588' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.54 -49.6 74.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 73.43 110.882 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 589' ' ' VAL . . . . . . . . . . . . . 25.4 t -69.37 -55.03 16.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 75.12 111.12 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 75.1 mt-10 -50.74 -43.0 57.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.223 -0.444 . . . . 74.35 110.896 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -68.33 -40.11 81.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.47 . . . . 65.2 111.124 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 592' ' ' VAL . . . . . . . . . . . . . 24.3 t -69.57 -26.78 31.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.259 -0.428 . . . . 73.34 111.127 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -73.91 -36.2 64.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 71.34 110.814 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 68.2 m80 -86.28 -47.61 9.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.188 -0.46 . . . . 72.21 110.855 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 595' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -80.07 -24.12 40.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.426 . . . . 75.45 110.908 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 596' ' ' GLY . . . . . . . . . . . . . . . 82.41 -175.31 53.57 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.717 -0.754 . . . . 72.55 112.461 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 7.2 p -93.57 24.91 3.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.815 0.34 . . . . 75.21 111.18 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 598' ' ' GLY . . . . . . . . . . . . . . . -122.91 -11.58 5.28 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.675 -0.774 . . . . 73.54 112.48 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 599' ' ' ARG . . . . . . . . . . . . . 39.4 mtt-85 -125.61 76.87 1.61 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.783 0.325 . . . . 74.2 110.892 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 600' ' ' TRP . . . . . . . . . . . . . 4.6 m0 -69.42 -42.8 74.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 73.53 110.889 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 601' ' ' ARG . . . . . . . . . . . . . 9.9 ptm180 -52.89 -44.04 66.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.284 -0.416 . . . . 70.14 110.898 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 602' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -67.57 -38.38 83.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 63.22 110.87 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 55.8 t -58.98 -38.88 76.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 71.13 111.197 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 28.7 tptt -72.06 -36.51 69.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 74.14 110.864 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 605' ' ' MET . . . . . . . . . . . . . 23.6 mtt -72.82 -34.86 67.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.274 -0.421 . . . . 75.41 110.925 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 606' ' ' ARG . . . . . . . . . . . . . 39.0 ttm-85 -81.09 -40.16 24.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.268 -0.423 . . . . 73.3 110.97 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -79.5 -67.13 0.79 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 73.4 111.074 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 608' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.191 -0.459 . . . . 71.25 110.88 -179.889 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 616' ' ' TYR . . . . . . . . . . . . . 22.5 p90 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.903 0.382 . . . . 73.42 110.881 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 617' ' ' VAL . . . . . . . . . . . . . 11.1 p -70.18 -33.68 55.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 71.22 111.145 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 618' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.98 -50.59 60.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 75.35 110.903 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 619' ' ' LEU . . . . . . . . . . . . . 1.1 pp -69.95 -25.77 63.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 74.02 110.95 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 620' ' ' LYS . . . . . . . . . . . . . 37.9 tptt -70.24 -37.0 74.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 74.41 110.934 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -71.71 -44.3 64.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 63.11 110.83 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.14 -39.6 82.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 75.1 110.941 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 623' ' ' TRP . . . . . . . . . . . . . 15.3 t-105 -69.86 -46.27 65.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 75.52 110.93 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.65 -48.5 49.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.265 -0.425 . . . . 72.11 110.901 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 11.2 t -72.58 -28.2 62.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.25 -0.432 . . . . 74.33 111.19 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 626' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.86 -55.58 21.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 65.25 110.887 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 627' ' ' VAL . . . . . . . . . . . . . 4.7 p -59.28 -44.97 93.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 74.21 111.165 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 628' ' ' HIS . . . . . . . . . . . . . 10.5 m170 -60.5 -27.36 67.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 73.43 110.799 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 629' ' ' THR . . . . . . . . . . . . . 10.7 m -76.06 -29.43 58.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 75.31 111.107 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -53.13 -49.29 66.85 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.253 -0.43 . . . . 74.23 111.143 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 170.28 68.79 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 70.42 110.831 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 632' ' ' ILE . . . . . . . . . . . . . 2.5 mp -130.57 -75.84 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 73.55 111.116 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 633' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.266 0 CA-C-O 121.561 0.696 . . . . 74.22 111.152 179.791 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.172 0 CA-C-O 120.795 0.248 . . . . 74.2 112.374 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 642' ' ' VAL . . . . . . . . . . . . . 13.6 m -121.01 140.11 30.38 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.618 0.723 . . . . 71.32 111.081 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 128.88 16.7 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.617 2.211 . . . . 60.45 112.389 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -63.19 -16.83 61.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 74.43 110.897 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -70.23 -39.19 75.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.247 -0.433 . . . . 61.24 110.865 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 646' ' ' LEU . . . . . . . . . . . . . 53.4 mt -75.19 -52.17 11.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 73.45 110.892 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 647' ' ' LEU . . . . . . . . . . . . . 47.3 mt -51.54 -34.54 36.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 73.2 110.969 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.96 -46.71 56.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 62.34 110.83 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 36.7 mmt-85 -65.27 -35.66 81.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 74.5 110.884 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 650' ' ' VAL . . . . . . . . . . . . . 97.0 t -64.07 -51.88 63.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 72.21 111.116 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 12.7 mt -61.69 -26.54 68.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 73.52 110.887 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -66.17 -49.32 67.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 61.04 111.153 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -74.12 -43.81 56.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 73.53 111.152 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 654' ' ' HIS . . . . . . . . . . . . . 26.8 t-80 -57.52 -42.91 83.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 72.34 110.84 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -76.94 -46.82 22.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 75.45 111.101 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -56.48 -49.61 74.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.275 -0.42 . . . . 75.32 110.963 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 657' ' ' TRP . . . . . . . . . . . . . 72.1 m95 -70.58 -30.34 67.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.115 -0.493 . . . . 75.54 110.968 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 9.0 t -59.61 -36.41 76.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.224 -0.444 . . . . 75.32 110.86 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 659' ' ' GLN . . . . . . . . . . . . . 42.7 tt0 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 72.14 110.977 -179.969 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 9.3 m . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.979 0.419 . . . . 71.23 110.839 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 582' ' ' VAL . . . . . . . . . . . . . 92.2 t -54.46 -38.14 40.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 75.2 111.167 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -69.31 -47.57 64.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 73.33 111.102 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 584' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -63.2 -54.8 31.83 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.242 -0.436 . . . . 72.22 110.893 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 585' ' ' VAL . . . . . . . . . . . . . 59.7 t -57.53 -34.31 46.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 75.0 111.084 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -59.96 -42.39 93.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 74.22 110.878 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 587' ' ' ALA . . . . . . . . . . . . . . . -69.05 -33.93 74.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 54.23 111.169 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 588' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.42 -55.13 12.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 73.24 110.948 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 589' ' ' VAL . . . . . 0.409 ' HA ' HG11 ' A' ' 592' ' ' VAL . 4.7 p -62.33 -47.63 92.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 75.11 111.124 179.789 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -59.18 -29.07 67.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 73.33 110.831 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -74.44 -43.53 55.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 63.24 111.03 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 592' ' ' VAL . . . . . 0.409 HG11 ' HA ' ' A' ' 589' ' ' VAL . 7.3 p -76.28 -25.92 16.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.279 -0.419 . . . . 72.53 111.181 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -73.02 -41.64 64.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.131 -0.486 . . . . 73.11 110.875 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 14.4 t60 -84.36 -46.86 11.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 72.34 110.869 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 595' ' ' LEU . . . . . . . . . . . . . 12.5 mt -79.74 -17.57 53.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 74.54 110.869 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 596' ' ' GLY . . . . . . . . . . . . . . . 85.12 164.61 38.93 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.797 -0.716 . . . . 74.33 112.49 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -74.47 -5.73 44.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.839 0.352 . . . . 65.02 111.119 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 598' ' ' GLY . . . . . . . . . . . . . . . -101.34 20.1 48.39 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.782 -0.723 . . . . 71.21 112.476 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 599' ' ' ARG . . . . . . . . . . . . . 8.0 mtp180 -139.75 64.05 1.47 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.824 0.345 . . . . 73.45 110.885 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 600' ' ' TRP . . . . . . . . . . . . . 16.5 m0 -60.72 -50.26 74.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 73.13 110.876 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 601' ' ' ARG . . . . . . . . . . . . . 25.8 mmm-85 -53.08 -43.28 66.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 75.44 110.873 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 602' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -67.83 -31.05 70.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 73.21 110.943 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 70.5 t -66.47 -34.64 71.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 75.25 111.148 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 16.4 tptp -71.97 -44.64 63.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 73.42 110.87 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 605' ' ' MET . . . . . . . . . . . . . 23.0 mmm -72.92 -31.54 64.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.214 -0.448 . . . . 74.31 110.845 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 606' ' ' ARG . . . . . . . . . . . . . 7.3 ttm-85 -77.71 -40.64 40.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 75.34 110.833 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -86.92 -70.84 0.59 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 74.4 111.068 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 608' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 75.42 110.882 -179.869 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 616' ' ' TYR . . . . . . . . . . . . . 15.8 p90 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.906 0.384 . . . . 75.32 110.912 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 617' ' ' VAL . . . . . . . . . . . . . 12.0 p -71.75 -33.6 49.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 75.33 111.096 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 618' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.69 -50.66 71.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.271 -0.422 . . . . 73.03 110.877 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 619' ' ' LEU . . . . . . . . . . . . . 1.1 pp -66.89 -28.22 68.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 74.13 110.993 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 620' ' ' LYS . . . . . . . . . . . . . 39.3 mtpt -68.06 -35.08 77.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 75.21 110.922 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -71.6 -49.8 36.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 73.24 110.871 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 18.3 mtmt -55.03 -41.76 71.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 75.41 110.876 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 623' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -68.65 -49.61 57.75 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.244 -0.435 . . . . 73.32 110.933 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -52.26 -53.81 39.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.264 -0.426 . . . . 75.14 110.88 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 14.8 t -62.04 -29.23 70.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 74.24 111.154 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 626' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.92 -53.96 45.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 72.25 110.928 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 627' ' ' VAL . . . . . . . . . . . . . 55.0 t -59.08 -54.62 31.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 71.22 111.154 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 628' ' ' HIS . . . . . 0.435 ' HA ' ' HB ' ' A' ' 632' ' ' ILE . 0.3 OUTLIER -53.09 -29.03 28.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 75.34 110.886 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 629' ' ' THR . . . . . . . . . . . . . 24.1 m -74.62 -30.06 61.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 73.41 111.186 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -54.04 -50.13 67.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 74.1 111.019 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 11.5 t 173.2 69.06 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 71.23 110.915 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 632' ' ' ILE . . . . . 0.435 ' HB ' ' HA ' ' A' ' 628' ' ' HIS . 2.6 mp -129.73 -75.95 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 74.41 111.084 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 633' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.282 0 CA-C-O 121.557 0.694 . . . . 75.21 111.117 179.792 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--O 1.232 0.19 0 CA-C-O 120.875 0.281 . . . . 73.51 112.243 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 642' ' ' VAL . . . . . . . . . . . . . 19.8 m -100.34 139.67 20.85 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-O 121.625 0.726 . . . . 65.23 111.138 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.91 129.47 17.49 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.617 2.212 . . . . 73.44 112.322 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 11.9 tm0? -61.43 -18.39 58.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.469 . . . . 74.05 110.932 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -65.45 -40.65 93.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 74.22 110.913 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 646' ' ' LEU . . . . . . . . . . . . . 62.5 mt -75.37 -53.08 9.32 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.192 -0.458 . . . . 73.14 110.892 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 647' ' ' LEU . . . . . . . . . . . . . 52.2 mt -53.32 -42.85 67.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 70.15 110.912 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -72.56 -30.21 64.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 73.35 110.853 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 3.1 mmt-85 -71.39 -48.77 47.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 65.35 110.847 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 650' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -62.42 -33.2 58.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 65.11 111.142 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 1.1 mp -71.38 -36.28 71.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 72.01 110.941 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -62.4 -46.1 90.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 71.41 111.167 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -75.61 -48.98 19.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 73.23 111.083 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 654' ' ' HIS . . . . . . . . . . . . . 37.6 t-80 -53.31 -41.09 65.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 73.23 110.906 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -77.2 -46.85 21.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 73.22 111.07 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 76.3 t80 -55.26 -49.56 71.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 74.2 110.976 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 657' ' ' TRP . . . . . . . . . . . . . 60.8 m95 -70.44 -36.35 73.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.491 . . . . 75.13 110.961 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 1.8 t -53.86 -34.94 60.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 71.4 110.867 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 659' ' ' GLN . . . . . . . . . . . . . 36.5 mm-40 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.089 -0.505 . . . . 74.42 110.955 -179.973 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 20.3 m . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.87 0.367 . . . . 74.52 110.888 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 582' ' ' VAL . . . . . . . . . . . . . 97.9 t -51.77 -29.62 10.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 75.33 111.167 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -69.15 -45.29 70.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 75.23 111.107 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 584' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -68.22 -53.91 21.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 62.24 110.828 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 585' ' ' VAL . . . . . . . . . . . . . 38.4 t -54.31 -34.45 27.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.477 . . . . 64.41 111.134 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -62.0 -51.69 67.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 70.2 110.894 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 587' ' ' ALA . . . . . . . . . . . . . . . -65.13 -40.89 95.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 73.12 111.146 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 588' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.32 -54.24 49.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 75.42 110.913 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 589' ' ' VAL . . . . . . . . . . . . . 58.3 t -65.92 -54.32 28.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.137 -0.483 . . . . 65.11 111.101 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -50.61 -47.38 58.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.133 -0.485 . . . . 73.53 110.905 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -66.12 -38.04 87.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.088 -0.505 . . . . 64.01 111.116 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 592' ' ' VAL . . . . . . . . . . . . . 13.0 t -69.56 -26.99 32.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 74.03 111.123 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.7 -36.53 65.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.451 . . . . 75.32 110.953 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -85.63 -47.53 9.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 75.32 110.885 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 595' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -79.84 -24.25 41.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.208 -0.451 . . . . 75.43 110.931 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 596' ' ' GLY . . . . . . . . . . . . . . . 83.05 -174.48 52.67 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.699 -0.762 . . . . 52.03 112.502 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 1.9 p -93.64 23.4 4.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.837 0.351 . . . . 73.22 111.131 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 598' ' ' GLY . . . . . . . . . . . . . . . -122.11 -13.67 4.83 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.736 -0.745 . . . . 74.55 112.474 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 599' ' ' ARG . . . . . . . . . . . . . 18.4 mtt180 -119.75 78.13 1.3 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.84 0.352 . . . . 73.41 110.882 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 600' ' ' TRP . . . . . . . . . . . . . 2.7 m0 -68.71 -50.16 53.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 72.02 110.911 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 601' ' ' ARG . . . . . . . . . . . . . 90.9 mtt180 -52.86 -40.98 63.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 72.01 110.868 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 602' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -68.07 -30.41 69.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 63.22 110.872 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 52.6 t -72.8 -32.54 40.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 74.11 111.143 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 6.2 ttpm? -71.4 -41.96 68.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 75.41 110.875 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 605' ' ' MET . . . . . . . . . . . . . 19.9 ptp -72.87 -31.57 64.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 73.1 110.908 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 606' ' ' ARG . . . . . . . . . . . . . 2.9 ttt85 -80.63 -40.63 25.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 71.4 110.857 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -80.25 -68.95 0.63 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 75.02 111.107 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 608' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 74.01 110.81 -179.886 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 616' ' ' TYR . . . . . . . . . . . . . 24.6 p90 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.897 0.379 . . . . 73.05 110.924 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 617' ' ' VAL . . . . . . . . . . . . . 10.1 p -71.45 -33.62 50.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.097 -0.502 . . . . 74.44 111.111 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 618' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -51.5 -50.74 59.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 70.02 110.924 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 619' ' ' LEU . . . . . . . . . . . . . 1.2 pp -60.58 -26.13 66.73 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.207 -0.451 . . . . 75.34 110.842 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 620' ' ' LYS . . . . . . . . . . . . . 9.6 ttmt -71.0 -34.22 71.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 73.11 110.93 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -71.23 -41.02 70.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 72.34 110.867 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 9.6 mmtt -66.4 -33.64 76.16 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.232 -0.44 . . . . 75.13 110.858 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 623' ' ' TRP . . . . . . . . . . . . . 1.1 t90 -69.18 -52.1 31.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.22 -0.446 . . . . 74.3 110.976 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.75 -54.94 19.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.284 -0.416 . . . . 74.21 110.903 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 7.2 t -59.86 -32.22 70.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.273 -0.421 . . . . 72.34 111.176 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 626' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.74 -53.67 54.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 75.03 110.935 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 627' ' ' VAL . . . . . . . . . . . . . 76.4 t -54.43 -52.13 42.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 75.3 111.101 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 628' ' ' HIS . . . . . 0.412 ' HA ' ' HB ' ' A' ' 632' ' ' ILE . 1.6 m-70 -52.35 -34.66 48.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 75.4 110.851 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 629' ' ' THR . . . . . . . . . . . . . 19.7 m -71.06 -29.43 65.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 64.24 111.145 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -54.4 -49.94 68.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.249 -0.432 . . . . 75.13 111.085 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 11.6 t 173.61 68.76 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.216 -0.447 . . . . 72.41 110.888 -179.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 632' ' ' ILE . . . . . 0.412 ' HB ' ' HA ' ' A' ' 628' ' ' HIS . 2.2 mp -128.52 -74.33 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 75.44 111.123 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 633' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-O 121.577 0.703 . . . . 72.4 111.106 179.78 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.141 0 CA-C-O 120.814 0.256 . . . . 72.12 112.306 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 642' ' ' VAL . . . . . . . . . . . . . 4.4 p -91.98 134.41 28.81 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.587 0.708 . . . . 75.25 111.177 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.8 128.87 16.61 Favored 'Trans proline' 0 C--N 1.34 0.131 0 C-N-CA 122.739 2.293 . . . . 73.5 112.332 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -67.36 -20.63 65.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 74.13 110.915 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -65.38 -42.82 92.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 71.13 110.921 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 646' ' ' LEU . . . . . . . . . . . . . 26.9 mt -75.39 -40.17 58.24 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.187 -0.461 . . . . 75.34 110.903 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 647' ' ' LEU . . . . . . . . . . . . . 50.6 mt -68.07 -37.95 81.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 74.32 110.935 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 39.5 t0 -73.07 -30.69 63.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.187 -0.461 . . . . 75.22 110.897 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 11.0 mmp_? -74.96 -49.19 20.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.168 -0.469 . . . . 74.43 110.875 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 650' ' ' VAL . . . . . . . . . . . . . 1.4 p -60.34 -33.13 52.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 75.22 111.1 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 15.4 mt -70.98 -43.06 68.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.455 . . . . 75.42 110.853 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -61.63 -42.14 98.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 41.41 111.118 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -75.81 -45.54 35.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 71.23 111.106 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 654' ' ' HIS . . . . . . . . . . . . . 46.3 t60 -54.7 -47.83 73.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 75.24 110.863 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -67.1 -46.68 73.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 73.34 111.05 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -56.87 -49.51 75.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 74.21 110.87 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 657' ' ' TRP . . . . . . . . . . . . . 61.6 m95 -70.39 -38.16 74.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 72.32 110.939 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 2.9 m -53.81 -33.48 56.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.267 -0.424 . . . . 53.44 110.845 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 659' ' ' GLN . . . . . . . . . . . . . 43.0 mm-40 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 72.44 110.87 -179.96 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 3.0 m . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.901 0.381 . . . . 63.12 110.835 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 582' ' ' VAL . . . . . . . . . . . . . 15.6 m -52.69 -40.88 36.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.086 -0.506 . . . . 73.13 111.179 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -69.95 -33.93 72.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 60.25 111.079 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 584' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -74.41 -38.18 63.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 71.02 110.868 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 585' ' ' VAL . . . . . . . . . . . . . 81.6 t -53.65 -33.17 22.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.114 -0.493 . . . . 75.32 111.178 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -51.14 -31.43 19.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.108 -0.496 . . . . 74.21 110.875 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 587' ' ' ALA . . . . . . . . . . . . . . . -61.07 -43.41 98.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 74.0 111.099 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 588' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.5 -44.08 88.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 70.33 110.973 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 589' ' ' VAL . . . . . 0.409 ' HA ' HG12 ' A' ' 592' ' ' VAL . 60.7 t -66.75 -56.09 15.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 74.21 111.15 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -54.94 -33.07 61.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 75.24 110.91 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -69.8 -46.61 65.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 74.42 111.026 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 592' ' ' VAL . . . . . 0.409 HG12 ' HA ' ' A' ' 589' ' ' VAL . 13.0 p -74.58 -25.72 19.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 74.21 111.155 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -72.89 -41.23 64.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.099 -0.501 . . . . 74.35 110.847 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -84.28 -46.49 11.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 71.43 110.871 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 595' ' ' LEU . . . . . . . . . . . . . 11.4 mt -79.56 -16.93 55.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 73.34 110.927 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 596' ' ' GLY . . . . . . . . . . . . . . . 88.7 174.12 46.98 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.771 -0.728 . . . . 72.14 112.531 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 3.8 p -90.85 29.5 1.34 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.834 0.35 . . . . 71.42 111.17 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 598' ' ' GLY . . . . . . . . . . . . . . . -133.75 2.78 4.52 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.731 -0.747 . . . . 54.41 112.482 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 599' ' ' ARG . . . . . . . . . . . . . 56.3 mtt85 -122.18 74.5 1.16 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.804 0.335 . . . . 74.32 110.923 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 600' ' ' TRP . . . . . . . . . . . . . 26.9 m0 -62.33 -50.1 72.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 75.21 110.911 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 601' ' ' ARG . . . . . . . . . . . . . 33.4 mtt85 -52.71 -48.72 66.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 74.04 110.811 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 602' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -63.08 -35.98 82.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.266 -0.425 . . . . 71.51 110.888 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 50.1 t -64.31 -32.21 56.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 74.43 111.1 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 11.8 ttpt -69.1 -48.17 63.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 75.12 110.946 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 605' ' ' MET . . . . . . . . . . . . . 37.6 mtp -73.13 -31.12 64.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 74.51 110.901 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 606' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -76.27 -36.57 58.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 74.15 110.895 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -88.61 -67.86 0.81 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 73.31 111.077 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 608' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 75.13 110.821 -179.923 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 616' ' ' TYR . . . . . . . . . . . . . 15.3 p90 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.945 0.403 . . . . 73.04 110.935 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 617' ' ' VAL . . . . . . . . . . . . . 13.8 p -60.26 -33.11 52.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.092 -0.504 . . . . 75.4 111.119 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 618' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.13 -50.57 72.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 74.42 110.882 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 619' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.38 -25.27 67.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 72.22 110.903 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 620' ' ' LYS . . . . . . . . . . . . . 22.6 ttpt -74.65 -33.81 62.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 74.25 110.936 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -71.65 -36.02 70.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 73.42 110.869 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 5.2 mttm -71.1 -41.14 70.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.45 . . . . 72.22 110.89 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 623' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -70.53 -50.23 39.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 73.11 110.854 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 17.0 tttt -50.73 -54.91 19.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 75.31 110.879 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 13.7 t -61.98 -31.0 71.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 71.44 111.173 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 626' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.68 -53.73 54.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 75.44 110.892 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 627' ' ' VAL . . . . . . . . . . . . . 77.6 t -58.49 -54.95 26.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 65.31 111.159 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 628' ' ' HIS . . . . . 0.413 ' HA ' ' HB ' ' A' ' 632' ' ' ILE . 49.9 m170 -53.01 -29.54 30.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 71.21 110.89 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 629' ' ' THR . . . . . . . . . . . . . 23.7 m -74.35 -29.63 61.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 62.35 111.185 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -54.16 -49.88 68.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 74.41 111.144 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 11.8 t 173.26 68.52 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 73.0 110.852 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 632' ' ' ILE . . . . . 0.413 ' HB ' ' HA ' ' A' ' 628' ' ' HIS . 2.8 mp -130.28 -76.43 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.106 -0.497 . . . . 64.44 111.11 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 633' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.329 0 CA-C-O 121.613 0.721 . . . . 74.04 111.151 179.785 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 N--CA 1.465 -0.193 0 CA-C-O 120.766 0.236 . . . . 63.34 112.333 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 642' ' ' VAL . . . . . . . . . . . . . 3.9 p -105.32 134.44 19.67 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.659 0.742 . . . . 70.15 111.151 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 128.62 16.3 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.742 2.295 . . . . 74.14 112.309 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -68.04 -25.62 65.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 73.25 110.912 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -62.93 -41.33 99.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 73.55 110.915 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 646' ' ' LEU . . . . . . . . . . . . . 58.2 mt -74.91 -34.81 62.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.494 . . . . 73.33 110.917 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 647' ' ' LEU . . . . . . . . . . . . . 53.5 mt -71.73 -40.67 69.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 74.5 110.9 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.44 -30.23 64.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 63.44 110.827 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -74.47 -49.03 23.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 72.52 110.896 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 650' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -59.33 -33.61 51.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 73.12 111.12 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.53 -41.99 68.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 72.43 110.892 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -54.55 -48.17 72.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 71.41 111.101 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -75.06 -46.32 35.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 75.22 111.091 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 654' ' ' HIS . . . . . . . . . . . . . 52.2 t-80 -54.04 -41.51 68.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 64.15 110.861 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -76.04 -46.87 27.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 75.02 111.125 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 65.4 t80 -55.59 -49.43 72.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 74.21 110.918 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 657' ' ' TRP . . . . . . . . . . . . . 64.1 m95 -70.26 -36.7 74.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.152 -0.477 . . . . 72.33 110.916 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 16.4 t -54.09 -34.79 61.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.435 . . . . 74.34 110.889 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 659' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.495 . . . . 64.03 110.931 -179.974 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 18.0 m . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.9 0.381 . . . . 53.24 110.857 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 582' ' ' VAL . . . . . . . . . . . . . 99.0 t -51.67 -37.65 20.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 62.2 111.102 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -69.61 -48.14 61.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 73.24 111.086 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 584' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -63.55 -54.77 30.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 75.2 110.852 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 585' ' ' VAL . . . . . . . . . . . . . 60.7 t -54.05 -33.84 25.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 75.02 111.086 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -63.03 -52.12 64.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 73.31 110.93 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 587' ' ' ALA . . . . . . . . . . . . . . . -64.12 -31.42 72.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 72.14 111.083 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 588' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -66.41 -54.47 23.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 74.31 110.877 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 589' ' ' VAL . . . . . . . . . . . . . 47.9 t -60.75 -54.45 35.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 72.31 111.119 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -51.79 -37.1 50.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.153 -0.476 . . . . 75.42 110.927 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -72.66 -40.22 66.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.067 -0.515 . . . . 52.35 111.082 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 592' ' ' VAL . . . . . . . . . . . . . 37.4 t -73.84 -26.07 21.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 75.14 111.176 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.02 -39.47 63.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 73.31 110.863 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 31.3 m170 -85.79 -47.26 9.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 74.23 110.891 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 595' ' ' LEU . . . . . . . . . . . . . 14.5 mt -79.56 -23.45 42.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 70.51 110.895 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 596' ' ' GLY . . . . . . . . . . . . . . . 84.22 -174.84 51.05 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.707 -0.758 . . . . 72.11 112.448 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 36.1 p -94.83 28.28 2.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.838 0.351 . . . . 60.33 111.133 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 598' ' ' GLY . . . . . . . . . . . . . . . -121.72 -24.83 2.25 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.737 -0.744 . . . . 44.2 112.558 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 599' ' ' ARG . . . . . . . . . . . . . 43.0 mtt85 -105.68 71.74 0.93 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.855 0.359 . . . . 74.13 110.873 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 600' ' ' TRP . . . . . . . . . . . . . 5.1 m0 -59.8 -49.77 76.43 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.15 -0.477 . . . . 75.43 110.904 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 601' ' ' ARG . . . . . . . . . . . . . 73.8 mtm180 -52.42 -45.63 66.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 73.33 110.892 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 602' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -63.43 -35.15 79.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 64.12 110.829 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 55.5 t -64.73 -31.81 55.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 73.04 111.14 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 27.2 ttpt -69.52 -49.3 55.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.489 . . . . 75.44 110.857 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 605' ' ' MET . . . . . . . . . . . . . 6.8 ptm -72.91 -31.47 64.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.296 -0.411 . . . . 74.3 110.922 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 606' ' ' ARG . . . . . . . . . . . . . 19.0 tpp180 -75.09 -40.5 60.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 73.32 110.952 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -84.88 -68.8 0.7 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.108 -0.496 . . . . 72.33 111.142 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 608' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 74.11 110.92 -179.95 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 616' ' ' TYR . . . . . . . . . . . . . 7.4 p90 . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.951 0.405 . . . . 73.24 110.996 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 617' ' ' VAL . . . . . . . . . . . . . 12.3 p -72.41 -32.67 42.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.081 -0.509 . . . . 75.14 111.117 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 618' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.67 -50.59 23.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 73.41 110.843 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 619' ' ' LEU . . . . . . . . . . . . . 2.5 pp -63.14 -39.58 95.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 73.35 110.894 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 620' ' ' LYS . . . . . . . . . . . . . 11.6 ptmm? -72.13 -32.59 67.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 75.23 110.884 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -71.65 -35.27 70.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.431 . . . . 74.15 110.829 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 17.4 ttmt -69.65 -38.67 77.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.274 -0.421 . . . . 65.53 110.902 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 623' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -63.97 -51.64 63.39 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.21 -0.45 . . . . 75.52 110.874 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.12 -55.42 20.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 71.51 110.869 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 11.5 t -61.68 -30.26 70.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 75.14 111.063 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 626' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.14 -53.85 52.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.249 -0.432 . . . . 75.51 110.95 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 627' ' ' VAL . . . . . . . . . . . . . 79.4 t -56.82 -51.85 62.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 74.11 111.077 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 628' ' ' HIS . . . . . 0.408 ' HA ' ' HB ' ' A' ' 632' ' ' ILE . 12.8 m-70 -53.76 -28.19 33.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 73.23 110.836 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 629' ' ' THR . . . . . . . . . . . . . 21.3 m -79.28 -29.59 42.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 70.32 111.136 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -55.24 -49.41 72.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 72.12 111.063 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 10.8 t 173.32 70.64 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 74.41 110.903 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 632' ' ' ILE . . . . . 0.408 ' HB ' ' HA ' ' A' ' 628' ' ' HIS . 1.8 mp -124.96 -65.46 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.135 -0.484 . . . . 74.02 111.162 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 633' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.339 0 CA-C-O 121.556 0.694 . . . . 74.01 111.109 179.835 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo . . . . . 0 C--O 1.231 0.142 0 CA-C-O 120.849 0.27 . . . . 73.12 112.353 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 642' ' ' VAL . . . . . . . . . . . . . 1.7 p -134.35 130.93 20.31 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.654 0.74 . . . . 71.33 111.121 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 128.54 16.16 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.693 2.262 . . . . 75.22 112.358 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -70.52 -21.71 62.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 74.42 110.866 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -68.18 -38.11 81.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 73.33 110.846 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 646' ' ' LEU . . . . . . . . . . . . . 50.2 mt -75.41 -42.05 54.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 73.22 110.976 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 647' ' ' LEU . . . . . . . . . . . . . 53.5 mt -65.3 -40.89 94.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 75.5 110.928 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -72.44 -33.02 66.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 73.41 110.882 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 5.8 mtp85 -74.52 -48.81 24.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 72.1 110.81 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 650' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -58.08 -33.66 47.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 74.3 111.151 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -71.5 -42.77 67.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 74.23 110.889 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -54.6 -51.25 65.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.429 . . . . 72.32 111.169 179.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -71.84 -41.27 68.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 73.02 111.097 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 654' ' ' HIS . . . . . . . . . . . . . 31.1 t-80 -53.24 -44.99 68.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 75.54 110.876 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -67.28 -47.33 70.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 73.44 111.098 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 73.9 t80 -55.15 -49.99 70.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 73.2 110.906 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 657' ' ' TRP . . . . . . . . . . . . . 55.4 m95 -71.12 -36.68 72.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 72.33 110.937 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 7.6 t -53.67 -32.12 50.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 60.24 110.855 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 659' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 75.34 110.973 179.996 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 16.8 m . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.92 0.391 . . . . 73.25 110.875 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 582' ' ' VAL . . . . . . . . . . . . . 85.1 t -54.43 -36.84 35.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.149 -0.478 . . . . 54.55 111.135 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -68.72 -36.82 78.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 62.3 111.09 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 584' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -75.29 -41.24 57.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 72.44 110.9 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 585' ' ' VAL . . . . . . . . . . . . . 92.3 t -66.28 -37.09 78.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.107 -0.497 . . . . 72.32 111.12 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -51.49 -30.71 20.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.456 . . . . 74.2 110.878 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 587' ' ' ALA . . . . . . . . . . . . . . . -64.78 -46.12 83.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 74.43 111.062 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 588' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.06 -55.33 36.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.456 . . . . 74.33 110.977 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 589' ' ' VAL . . . . . 0.424 ' HA ' HG13 ' A' ' 592' ' ' VAL . 3.6 p -60.02 -50.55 79.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 74.1 111.092 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -60.08 -29.69 68.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 74.11 110.903 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -74.8 -43.86 52.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 64.35 111.045 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 592' ' ' VAL . . . . . 0.424 HG13 ' HA ' ' A' ' 589' ' ' VAL . 12.8 p -75.52 -25.81 17.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 75.23 111.152 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -73.71 -36.61 65.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 72.13 110.911 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 46.7 m170 -84.15 -47.26 11.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.469 . . . . 75.24 110.91 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 595' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -80.29 -23.43 40.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 74.51 110.948 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 596' ' ' GLY . . . . . . . . . . . . . . . 94.16 175.07 39.22 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.746 -0.74 . . . . 75.25 112.476 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -88.91 17.22 5.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.797 0.332 . . . . 71.23 111.13 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 598' ' ' GLY . . . . . . . . . . . . . . . -125.24 15.22 7.3 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.802 -0.713 . . . . 73.13 112.504 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 599' ' ' ARG . . . . . . . . . . . . . 40.4 mtt85 -140.75 79.26 1.69 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.843 0.354 . . . . 73.55 110.898 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 600' ' ' TRP . . . . . . . . . . . . . 10.9 m0 -69.32 -46.08 67.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 75.34 110.99 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 601' ' ' ARG . . . . . . . . . . . . . 46.7 ttm-85 -53.06 -48.97 67.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 74.43 110.884 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 602' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -64.41 -38.65 91.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.214 -0.448 . . . . 74.25 110.88 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 25.1 t -57.5 -36.74 54.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.177 -0.465 . . . . 60.05 111.131 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 3.7 ttpm? -72.19 -39.29 68.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 71.24 110.883 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 605' ' ' MET . . . . . . . . . . . . . 45.8 mmm -69.9 -31.57 69.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 75.3 110.919 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 606' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.39 -40.57 17.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 75.05 110.893 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -80.79 -69.36 0.61 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 75.15 111.111 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 608' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 74.53 110.869 -179.909 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 616' ' ' TYR . . . . . . . . . . . . . 35.9 p90 . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.931 0.396 . . . . 74.4 110.896 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 617' ' ' VAL . . . . . . . . . . . . . 7.9 p -70.85 -36.43 64.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 74.04 111.176 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 618' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.69 -50.82 72.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.086 -0.506 . . . . 72.1 110.856 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 619' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -73.07 -19.86 61.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.271 -0.422 . . . . 74.01 110.882 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 620' ' ' LYS . . . . . . . . . . . . . 4.6 tmmm? -68.02 -50.08 57.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 74.15 110.867 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 -71.89 -32.85 67.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 75.41 110.845 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 1.1 tppp? -65.73 -40.39 92.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 75.33 110.948 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 623' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -72.44 -44.48 62.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 75.12 110.948 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -51.05 -45.87 61.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.267 -0.424 . . . . 72.44 110.912 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 8.8 t -74.74 -37.48 62.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 73.52 111.142 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 626' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.96 -54.86 37.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.267 -0.424 . . . . 73.43 110.85 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 627' ' ' VAL . . . . . . . . . . . . . 91.2 t -61.92 -54.68 31.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 73.01 111.089 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 628' ' ' HIS . . . . . 0.429 ' HA ' ' HB ' ' A' ' 632' ' ' ILE . 11.6 m170 -53.75 -26.53 23.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 73.45 110.884 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 629' ' ' THR . . . . . . . . . . . . . 36.3 m -78.36 -30.05 47.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 73.23 111.141 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -52.81 -49.7 65.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 73.31 111.059 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 169.41 67.53 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 64.42 110.845 -179.77 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 632' ' ' ILE . . . . . 0.429 ' HB ' ' HA ' ' A' ' 628' ' ' HIS . 2.6 mp -128.19 -75.44 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.087 -0.506 . . . . 73.1 111.099 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 633' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 121.594 0.711 . . . . 63.51 111.117 179.855 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--O 1.232 0.183 0 CA-C-O 120.834 0.264 . . . . 73.3 112.354 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 642' ' ' VAL . . . . . . . . . . . . . 5.8 m -106.5 139.44 20.34 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.674 0.75 . . . . 73.34 111.067 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.68 128.98 16.88 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.697 2.264 . . . . 70.53 112.378 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -65.63 -17.78 64.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 75.21 110.951 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -67.53 -42.98 81.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 71.41 110.83 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 646' ' ' LEU . . . . . . . . . . . . . 65.1 mt -71.98 -53.45 12.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.141 -0.481 . . . . 73.45 110.922 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 647' ' ' LEU . . . . . . . . . . . . . 45.9 mt -51.73 -51.78 53.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 74.11 110.931 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -56.9 -41.17 77.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 73.43 110.804 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 1.4 mmm180 -65.71 -40.48 92.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 71.24 110.858 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 650' ' ' VAL . . . . . . . . . . . . . 92.7 t -61.53 -55.11 26.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 71.53 111.09 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 24.5 mt -63.2 -25.52 68.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 73.24 110.951 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -64.51 -51.37 63.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 72.03 111.152 179.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -75.82 -49.48 17.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 74.44 111.134 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 654' ' ' HIS . . . . . . . . . . . . . 19.7 m80 -53.26 -31.14 42.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.279 -0.419 . . . . 75.14 110.869 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -77.15 -46.9 21.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 54.32 111.075 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 77.2 t80 -63.27 -47.11 83.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 75.43 110.9 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 657' ' ' TRP . . . . . . . . . . . . . 33.1 m95 -65.41 -39.07 91.71 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.15 -0.477 . . . . 74.43 110.841 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 3.6 m -61.13 -33.07 72.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.285 -0.416 . . . . 72.22 110.938 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 659' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 75.54 110.911 -179.946 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 47.1 m . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.943 0.402 . . . . 73.03 110.857 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 582' ' ' VAL . . . . . . . . . . . . . 27.7 m -54.46 -32.15 24.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.087 -0.506 . . . . 64.41 111.125 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -64.78 -46.92 80.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 74.43 111.101 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 584' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -73.57 -44.19 57.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 71.32 110.89 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 585' ' ' VAL . . . . . . . . . . . . . 93.5 t -62.43 -35.4 69.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 73.32 111.139 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -58.07 -34.2 69.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.483 . . . . 73.12 110.844 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 587' ' ' ALA . . . . . . . . . . . . . . . -70.68 -45.42 65.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 62.2 111.1 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 588' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -55.84 -55.13 36.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 71.21 110.972 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 589' ' ' VAL . . . . . . . . . . . . . 36.9 t -61.49 -54.31 36.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 75.42 111.144 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -50.91 -44.22 60.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 74.45 110.874 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -66.36 -39.94 89.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 71.44 111.105 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 592' ' ' VAL . . . . . . . . . . . . . 17.9 t -69.52 -26.47 31.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 64.33 111.094 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -74.42 -36.81 63.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 75.15 110.886 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 -85.86 -48.61 8.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 72.04 110.839 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 595' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -79.93 -24.0 41.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 73.23 110.869 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 596' ' ' GLY . . . . . . . . . . . . . . . 88.2 -166.47 35.12 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.744 -0.741 . . . . 75.14 112.482 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 69.9 p -102.08 21.84 14.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.792 0.329 . . . . 75.53 111.095 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 598' ' ' GLY . . . . . . . . . . . . . . . -125.9 -8.99 4.94 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.765 -0.731 . . . . 71.22 112.523 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 599' ' ' ARG . . . . . . . . . . . . . 56.8 mtt85 -116.49 76.86 1.05 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.824 0.345 . . . . 73.43 110.815 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 600' ' ' TRP . . . . . . . . . . . . . 7.5 m0 -68.73 -49.91 54.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 74.1 110.909 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 601' ' ' ARG . . . . . . . . . . . . . 74.5 mtm-85 -54.46 -46.43 73.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.278 -0.419 . . . . 75.41 110.882 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 602' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -63.33 -30.58 71.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 73.5 110.889 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 38.8 t -71.32 -34.69 54.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 73.32 111.112 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 33.2 tptt -71.09 -44.13 66.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 73.2 110.942 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 605' ' ' MET . . . . . . . . . . . . . 28.2 ptm -72.86 -31.72 64.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 74.4 110.893 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 606' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.95 -42.61 26.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.445 . . . . 74.42 110.873 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -77.11 -68.41 0.61 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 75.41 111.119 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 608' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 74.21 110.866 -179.878 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 616' ' ' TYR . . . . . . . . . . . . . 26.1 p90 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.951 0.405 . . . . 74.55 110.958 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 617' ' ' VAL . . . . . . . . . . . . . 9.5 p -72.02 -32.35 43.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 74.03 111.124 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 618' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.51 -51.54 34.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 71.33 110.89 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 619' ' ' LEU . . . . . . . . . . . . . 1.2 pp -65.25 -52.35 54.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 74.4 110.927 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 620' ' ' LYS . . . . . . . . . . . . . 17.4 pttt -56.16 -33.11 64.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 73.11 110.893 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -64.96 -44.82 88.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 61.13 110.873 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 5.8 mptt -67.72 -28.25 67.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 75.15 110.871 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 623' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -73.33 -53.61 10.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.292 -0.413 . . . . 73.43 110.88 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -51.66 -42.73 62.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 73.52 110.918 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 12.6 t -72.45 -29.3 63.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.247 -0.433 . . . . 73.43 111.119 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 626' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.45 -55.53 11.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.218 -0.446 . . . . 75.44 110.882 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 627' ' ' VAL . . . . . . . . . . . . . 4.2 p -56.6 -45.0 82.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 75.42 111.096 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 628' ' ' HIS . . . . . . . . . . . . . 14.6 m170 -58.01 -38.04 75.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 65.54 110.817 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 629' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -69.25 -28.7 66.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 70.24 111.14 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -53.7 -47.9 70.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 75.22 111.135 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 173.88 68.01 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.269 -0.423 . . . . 72.21 110.853 -179.763 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 632' ' ' ILE . . . . . . . . . . . . . 2.5 mp -134.11 -72.86 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 74.31 111.15 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 633' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.269 0 CA-C-O 121.695 0.76 . . . . 74.21 111.08 179.78 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 N--CA 1.466 -0.124 0 CA-C-O 120.8 0.25 . . . . 74.4 112.324 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 642' ' ' VAL . . . . . . . . . . . . . 17.0 m -101.0 140.15 21.07 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.568 0.699 . . . . 74.12 111.163 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 133.8 26.55 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.725 2.283 . . . . 62.25 112.328 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -62.08 -20.32 63.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 73.1 110.933 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -63.37 -41.53 98.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 74.04 110.922 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 646' ' ' LEU . . . . . . . . . . . . . 83.7 mt -75.56 -41.88 53.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 74.0 110.903 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 647' ' ' LEU . . . . . . . . . . . . . 54.9 mt -66.82 -33.38 75.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 64.41 110.88 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -72.54 -42.01 65.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.221 -0.445 . . . . 72.11 110.81 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 53.1 mtt180 -73.97 -48.14 32.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 73.32 110.921 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 650' ' ' VAL . . . . . . . . . . . . . 5.5 p -56.72 -34.78 43.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 75.41 111.135 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 19.8 mt -71.53 -42.49 67.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 74.45 110.946 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -60.06 -49.47 77.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 75.34 111.152 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -68.25 -48.27 65.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 74.32 111.128 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 654' ' ' HIS . . . . . . . . . . . . . 53.2 t60 -56.56 -43.52 80.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.248 -0.433 . . . . 73.32 110.828 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -74.2 -46.8 39.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 74.45 111.091 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 67.7 t80 -56.86 -49.49 75.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 75.11 110.901 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 657' ' ' TRP . . . . . . . . . . . . . 65.9 m95 -70.49 -31.13 68.12 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.154 -0.476 . . . . 74.23 110.85 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 2.2 t -59.33 -35.79 74.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.303 -0.408 . . . . 73.42 110.86 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 659' ' ' GLN . . . . . . . . . . . . . 20.1 tt0 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.489 . . . . 74.24 110.9 179.994 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.906 0.384 . . . . 74.54 110.858 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 582' ' ' VAL . . . . . . . . . . . . . 32.0 m -55.19 -32.44 28.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.479 . . . . 71.31 111.169 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -69.3 -41.43 76.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 74.51 111.134 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 584' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -74.99 -41.25 59.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 70.13 110.84 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 585' ' ' VAL . . . . . . . . . . . . . 97.9 t -61.29 -35.64 67.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.127 -0.488 . . . . 71.13 111.123 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -51.42 -30.64 19.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 74.14 110.886 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 587' ' ' ALA . . . . . . . . . . . . . . . -67.4 -47.36 70.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 74.02 111.103 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 588' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.35 -47.14 79.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.216 -0.447 . . . . 64.12 110.956 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 589' ' ' VAL . . . . . 0.41 ' HA ' HG13 ' A' ' 592' ' ' VAL . 21.7 t -67.84 -56.77 11.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 72.42 111.099 179.802 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -55.0 -27.55 45.07 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.169 -0.469 . . . . 74.05 110.92 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -75.69 -46.4 31.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 75.01 111.096 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 592' ' ' VAL . . . . . 0.41 HG13 ' HA ' ' A' ' 589' ' ' VAL . 14.9 p -74.72 -25.63 19.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 75.25 111.101 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.96 -42.43 63.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 74.15 110.831 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -84.58 -47.2 10.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 74.33 110.803 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 595' ' ' LEU . . . . . . . . . . . . . 8.5 mt -79.88 -13.81 59.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 74.41 110.881 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 596' ' ' GLY . . . . . . . . . . . . . . . 85.41 173.46 49.67 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.736 -0.745 . . . . 70.45 112.509 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.12 11.71 15.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.821 0.343 . . . . 70.14 111.153 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 598' ' ' GLY . . . . . . . . . . . . . . . -120.08 14.33 10.35 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.721 -0.752 . . . . 74.23 112.491 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 599' ' ' ARG . . . . . . . . . . . . . 56.2 mtt85 -127.88 69.63 1.33 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.853 0.358 . . . . 64.23 110.827 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 600' ' ' TRP . . . . . . . . . . . . . 12.8 m0 -59.89 -50.34 74.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 74.51 110.875 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 601' ' ' ARG . . . . . . . . . . . . . 30.1 mtm180 -52.46 -47.87 66.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.426 . . . . 73.21 110.85 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 602' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -65.31 -37.11 86.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 73.11 110.892 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 53.8 t -65.15 -31.96 56.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 75.54 111.179 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 5.9 mtmt -68.4 -49.51 59.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 71.43 110.856 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 605' ' ' MET . . . . . . . . . . . . . 22.7 mmm -73.5 -31.52 63.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 71.42 110.898 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 606' ' ' ARG . . . . . . . . . . . . . 18.9 tpp180 -73.07 -40.96 64.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 70.13 110.853 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -90.74 -70.13 0.69 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 54.54 111.061 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 608' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 74.24 110.892 -179.94 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 616' ' ' TYR . . . . . . . . . . . . . 11.6 p90 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.973 0.416 . . . . 72.53 110.961 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 617' ' ' VAL . . . . . . . . . . . . . 14.3 p -71.25 -33.15 49.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.108 -0.496 . . . . 62.41 111.174 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 618' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -52.01 -50.74 60.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.457 . . . . 72.11 110.817 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 619' ' ' LEU . . . . . . . . . . . . . 1.2 pp -71.0 -31.16 67.61 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.168 -0.469 . . . . 74.0 110.927 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 620' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.65 -37.62 88.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 74.05 110.882 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -71.75 -45.77 60.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 72.35 110.899 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 43.1 tttt -55.0 -42.62 72.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 73.3 110.897 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 623' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -73.32 -44.2 59.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.295 -0.411 . . . . 73.4 110.904 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.51 -45.22 81.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.291 -0.413 . . . . 75.11 110.942 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 14.5 t -72.31 -28.99 63.43 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.191 -0.459 . . . . 75.55 111.182 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 626' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.13 -55.5 21.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 75.31 110.92 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 627' ' ' VAL . . . . . . . . . . . . . 4.2 p -59.67 -45.07 94.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 74.23 111.153 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 628' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -61.33 -26.58 67.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 74.01 110.872 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 629' ' ' THR . . . . . . . . . . . . . 3.0 m -78.5 -29.3 46.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 70.52 111.132 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -53.95 -49.59 68.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 65.12 111.038 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 10.8 t 172.58 69.67 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 71.12 110.889 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 632' ' ' ILE . . . . . . . . . . . . . 2.0 mp -129.77 -73.28 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 64.45 111.11 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 633' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.325 0 CA-C-O 121.538 0.685 . . . . 74.32 111.093 179.847 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--O 1.231 0.15 0 CA-C-O 120.855 0.273 . . . . 70.41 112.339 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 642' ' ' VAL . . . . . . . . . . . . . 2.1 p -126.84 131.2 23.78 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.545 0.688 . . . . 75.34 111.114 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 128.71 16.39 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.649 2.233 . . . . 75.4 112.34 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -71.0 -19.51 62.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 64.42 110.87 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -70.12 -38.54 75.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 72.45 110.816 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 646' ' ' LEU . . . . . . . . . . . . . 44.5 mt -75.48 -43.44 49.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 73.23 110.889 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 647' ' ' LEU . . . . . . . . . . . . . 63.4 mt -65.28 -41.49 94.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 74.24 110.907 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -71.86 -35.18 69.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.22 -0.445 . . . . 71.44 110.846 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 12.5 mmt85 -72.9 -48.8 34.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 74.53 110.896 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 650' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -56.98 -33.41 42.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 73.1 111.136 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 3.6 mp -72.2 -40.69 67.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 73.14 110.877 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -54.45 -51.59 64.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 73.54 111.057 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -72.18 -47.09 53.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.275 -0.42 . . . . 74.33 111.082 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 654' ' ' HIS . . . . . . . . . . . . . 63.6 t60 -53.82 -43.36 69.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 64.24 110.803 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -77.39 -47.08 20.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 70.33 111.096 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 71.5 t80 -53.99 -50.3 66.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 72.35 110.949 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 657' ' ' TRP . . . . . . . . . . . . . 68.3 m95 -71.06 -33.29 70.12 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.104 -0.498 . . . . 73.11 110.905 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 2.3 t -56.91 -32.56 66.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 72.22 110.888 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 659' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 75.51 110.878 -179.941 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 1.5 m . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.866 0.365 . . . . 63.23 110.943 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 582' ' ' VAL . . . . . . . . . . . . . 93.2 t -53.08 -39.14 31.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 75.32 111.159 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -69.42 -47.11 65.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.12 -0.491 . . . . 74.22 111.07 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 584' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -60.39 -54.89 40.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.453 . . . . 73.11 110.877 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 585' ' ' VAL . . . . . . . . . . . . . 21.5 t -58.05 -34.2 48.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 74.13 111.171 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -61.16 -51.51 68.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 62.53 110.899 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 587' ' ' ALA . . . . . . . . . . . . . . . -65.16 -29.5 70.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.48 . . . . 75.41 111.083 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 588' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.06 -55.07 13.86 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.234 -0.439 . . . . 74.25 110.898 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 589' ' ' VAL . . . . . . . . . . . . . 7.4 p -69.01 -44.18 81.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 75.3 111.166 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -51.36 -48.04 62.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.455 . . . . 74.32 110.934 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -67.89 -35.92 79.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.089 -0.505 . . . . 75.54 111.079 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 592' ' ' VAL . . . . . . . . . . . . . 15.3 t -69.88 -27.23 32.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 75.4 111.151 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.54 -36.45 63.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 71.42 110.877 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -85.91 -48.04 9.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 74.41 110.816 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 595' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -80.11 -24.4 40.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.261 -0.427 . . . . 74.23 110.897 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 596' ' ' GLY . . . . . . . . . . . . . . . 86.22 -171.41 44.16 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.652 -0.785 . . . . 71.44 112.397 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 5.4 p -98.77 32.47 2.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.801 0.334 . . . . 63.11 111.172 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 598' ' ' GLY . . . . . . . . . . . . . . . -134.27 4.19 4.48 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.696 -0.764 . . . . 55.43 112.531 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 599' ' ' ARG . . . . . . . . . . . . . 42.1 mtt85 -133.84 84.29 2.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.856 0.36 . . . . 75.24 110.864 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 600' ' ' TRP . . . . . . . . . . . . . 9.7 m0 -69.62 -50.84 40.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 75.24 110.979 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 601' ' ' ARG . . . . . . . . . . . . . 24.3 ptt180 -53.4 -47.68 69.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 75.34 110.873 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 602' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -60.98 -39.5 89.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.293 -0.412 . . . . 73.34 110.882 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 32.9 t -59.1 -33.23 49.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 74.21 111.092 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 14.0 tptp -69.44 -45.35 69.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 73.4 110.977 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 605' ' ' MET . . . . . . . . . . . . . 29.3 mtt -72.38 -31.52 65.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 75.04 110.827 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 606' ' ' ARG . . . . . . . . . . . . . 17.7 tpp180 -78.23 -40.47 37.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.202 -0.454 . . . . 75.11 110.859 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -80.34 -70.49 0.52 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 53.13 111.076 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 608' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 72.33 110.914 -179.914 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 616' ' ' TYR . . . . . . . . . . . . . 10.4 p90 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.962 0.41 . . . . 75.45 110.936 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 617' ' ' VAL . . . . . . . . . . . . . 10.1 p -70.84 -33.79 53.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 74.44 111.185 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 618' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.14 -51.87 67.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 74.31 110.816 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 619' ' ' LEU . . . . . . . . . . . . . 1.8 pp -74.7 -27.73 60.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.256 -0.429 . . . . 60.41 110.943 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 620' ' ' LYS . . . . . . . . . . . . . 21.3 ttpp -70.07 -35.95 74.59 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.205 -0.452 . . . . 74.0 110.854 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -71.5 -47.05 57.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 71.54 110.881 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.59 -30.37 71.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 73.5 110.904 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 623' ' ' TRP . . . . . . . . . . . . . 1.5 t90 -71.36 -55.03 8.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 71.35 110.969 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 4.7 tmtt? -50.62 -49.06 57.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 63.52 110.89 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 11.3 t -64.42 -30.96 71.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 65.22 111.08 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 626' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.85 -53.81 48.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.264 -0.425 . . . . 75.53 110.965 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 627' ' ' VAL . . . . . . . . . . . . . 76.9 t -55.51 -53.95 30.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.102 -0.499 . . . . 75.41 111.133 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 628' ' ' HIS . . . . . 0.413 ' HA ' ' HB ' ' A' ' 632' ' ' ILE . 10.6 m80 -52.4 -35.77 52.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.168 -0.469 . . . . 74.32 110.868 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 629' ' ' THR . . . . . . . . . . . . . 26.4 m -67.66 -29.98 69.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 74.32 111.151 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -53.69 -48.9 69.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 62.03 111.052 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 1.1 p 168.66 67.27 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.244 -0.435 . . . . 72.03 110.893 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 632' ' ' ILE . . . . . 0.413 ' HB ' ' HA ' ' A' ' 628' ' ' HIS . 2.3 mp -125.24 -77.04 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 64.43 111.133 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 633' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-O 121.582 0.706 . . . . 62.21 111.073 179.839 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 N--CA 1.465 -0.158 0 CA-C-O 120.831 0.263 . . . . 73.2 112.368 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 642' ' ' VAL . . . . . . . . . . . . . 11.8 t -108.39 133.23 20.65 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.54 0.685 . . . . 73.43 111.165 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 128.7 16.41 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.696 2.264 . . . . 63.5 112.369 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -63.14 -19.7 64.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.25 -0.432 . . . . 63.14 110.874 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -62.78 -44.43 96.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 64.22 110.878 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 646' ' ' LEU . . . . . . . . . . . . . 43.7 mt -75.21 -44.89 43.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 75.43 110.937 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 647' ' ' LEU . . . . . . . . . . . . . 45.2 mt -62.13 -38.13 87.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 71.44 110.922 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -73.25 -30.77 63.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 73.43 110.863 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 14.1 mtt180 -73.64 -48.97 28.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 72.01 110.904 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 650' ' ' VAL . . . . . . . . . . . . . 1.4 p -61.5 -33.07 55.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 73.41 111.131 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 15.4 mt -71.16 -39.74 71.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 72.21 110.898 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -68.52 -42.62 78.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 53.43 111.082 179.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -71.61 -49.57 38.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.255 -0.429 . . . . 74.44 111.148 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 654' ' ' HIS . . . . . . . . . . . . . 17.3 t-80 -55.42 -45.19 76.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.283 -0.417 . . . . 75.13 110.828 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -71.25 -46.87 60.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.431 . . . . 72.52 111.065 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 75.6 t80 -56.46 -49.29 75.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 74.11 110.994 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 657' ' ' TRP . . . . . . . . . . . . . 68.0 m95 -70.15 -35.94 74.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.113 -0.494 . . . . 75.32 110.965 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 12.4 t -54.05 -37.12 63.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 72.11 110.841 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 659' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.076 -0.511 . . . . 65.41 110.876 -179.962 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 74.1 m . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.936 0.398 . . . . 71.54 110.818 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 582' ' ' VAL . . . . . . . . . . . . . 29.3 m -53.41 -34.31 22.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 75.32 111.116 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -64.0 -46.11 86.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 73.33 111.106 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 584' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -71.22 -47.97 54.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.177 -0.465 . . . . 73.42 110.872 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 585' ' ' VAL . . . . . . . . . . . . . 98.4 t -54.52 -34.71 29.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 73.51 111.155 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -53.25 -48.73 67.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 72.12 110.872 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 587' ' ' ALA . . . . . . . . . . . . . . . -58.78 -43.54 90.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 64.44 111.102 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 588' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -55.53 -46.83 77.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 73.44 110.917 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 589' ' ' VAL . . . . . 0.476 ' O ' HG12 ' A' ' 592' ' ' VAL . 29.0 t -71.64 -55.87 12.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 73.32 111.119 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -53.0 -30.53 35.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 74.11 110.861 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -76.11 -48.78 19.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.131 -0.486 . . . . 63.32 111.116 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 592' ' ' VAL . . . . . 0.476 HG12 ' O ' ' A' ' 589' ' ' VAL . 9.3 p -74.13 -22.26 18.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 72.32 111.149 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -72.33 -42.76 65.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 74.02 110.883 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 4.7 t-80 -82.54 -44.78 15.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 70.31 110.828 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 595' ' ' LEU . . . . . . . . . . . . . 8.3 mt -79.85 -18.05 51.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 75.14 110.927 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 596' ' ' GLY . . . . . . . . . . . . . . . 85.42 -179.77 50.55 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.819 -0.705 . . . . 62.54 112.509 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 2.6 p -92.72 27.9 2.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.844 0.354 . . . . 73.24 111.129 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 598' ' ' GLY . . . . . . . . . . . . . . . -126.21 -5.43 6.16 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.777 -0.725 . . . . 73.41 112.499 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 599' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.33 79.78 1.71 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.762 0.315 . . . . 72.02 110.889 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 600' ' ' TRP . . . . . . . . . . . . . 5.0 m0 -69.68 -43.04 73.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.243 -0.435 . . . . 75.11 110.884 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 601' ' ' ARG . . . . . . . . . . . . . 18.6 ttm180 -52.76 -49.09 66.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.274 -0.421 . . . . 71.41 110.914 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 602' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -66.78 -31.51 72.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 72.11 110.847 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 40.2 t -65.85 -35.79 75.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 74.22 111.078 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 16.8 tptp -69.07 -46.33 68.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 73.44 110.911 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 605' ' ' MET . . . . . . . . . . . . . 11.8 mmm -72.48 -31.46 65.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 73.34 110.932 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 606' ' ' ARG . . . . . . . . . . . . . 18.5 tpp180 -77.09 -40.34 46.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 74.23 110.825 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -80.81 -66.86 0.83 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.286 -0.415 . . . . 72.44 111.125 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 608' ' ' PHE . . . . . . . . . . . . . 69.2 m-85 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 74.14 110.909 179.957 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 616' ' ' TYR . . . . . . . . . . . . . 15.7 p90 . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.945 0.402 . . . . 74.13 110.92 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 617' ' ' VAL . . . . . . . . . . . . . 10.5 p -69.01 -33.38 58.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.082 -0.508 . . . . 71.12 111.138 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 618' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.07 -51.18 67.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 74.51 110.835 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 619' ' ' LEU . . . . . . . . . . . . . 3.6 pp -73.07 -37.87 66.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 75.52 110.933 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 620' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -66.63 -33.6 76.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 72.35 110.894 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -68.35 -49.3 61.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 74.23 110.842 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.63 -43.97 80.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 72.53 110.835 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 623' ' ' TRP . . . . . 0.402 ' CZ3' HG13 ' A' ' 592' ' ' VAL . 14.6 t-105 -64.34 -45.18 88.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 73.43 110.903 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -49.33 -51.49 34.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 73.2 110.896 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 11.2 t -72.22 -27.32 62.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.246 -0.434 . . . . 70.44 111.191 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 626' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.05 -55.58 24.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 74.23 110.925 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 627' ' ' VAL . . . . . . . . . . . . . 4.1 p -59.92 -44.7 95.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 75.51 111.103 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 628' ' ' HIS . . . . . . . . . . . . . 3.3 m170 -60.19 -26.84 66.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 75.22 110.851 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 629' ' ' THR . . . . . . . . . . . . . 17.4 m -77.46 -29.45 52.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.173 -0.467 . . . . 75.1 111.206 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -53.13 -48.27 68.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 64.34 111.075 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 172.66 67.66 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 52.43 110.858 -179.799 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 632' ' ' ILE . . . . . . . . . . . . . 2.3 mp -130.75 -73.7 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 71.33 111.106 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 633' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.351 0 CA-C-O 121.546 0.688 . . . . 55.41 111.135 179.82 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.231 0.17 0 CA-C-O 120.857 0.274 . . . . 71.14 112.319 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 642' ' ' VAL . . . . . . . . . . . . . 12.1 m -95.43 139.19 21.87 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.571 0.701 . . . . 73.44 111.115 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 128.78 16.59 Favored 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.713 2.275 . . . . 72.11 112.428 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -62.18 -18.57 61.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 75.33 110.868 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -65.58 -42.48 91.7 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.22 -0.446 . . . . 72.14 110.904 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 646' ' ' LEU . . . . . . . . . . . . . 38.6 mt -74.31 -48.82 25.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 73.42 110.835 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 647' ' ' LEU . . . . . . . . . . . . . 55.9 mt -54.09 -41.31 68.11 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.219 -0.446 . . . . 62.43 110.967 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -64.55 -49.64 70.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 70.3 110.821 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 3.4 mmm180 -62.55 -39.77 94.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 74.45 110.863 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 650' ' ' VAL . . . . . . . . . . . . . 75.2 t -58.78 -51.37 72.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 63.23 111.106 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 14.4 mt -61.37 -25.35 67.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 73.13 110.895 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -64.99 -51.76 59.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 72.53 111.092 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -72.07 -44.54 63.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 74.04 111.091 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 654' ' ' HIS . . . . . . . . . . . . . 13.7 t-80 -54.12 -44.69 71.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.311 -0.404 . . . . 74.41 110.879 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -77.51 -47.11 20.4 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.155 -0.475 . . . . 60.02 111.069 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -54.03 -50.38 66.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 74.43 110.883 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 657' ' ' TRP . . . . . . . . . . . . . 69.2 m95 -71.05 -32.75 69.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.165 -0.471 . . . . 70.24 110.919 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 2.4 t -56.57 -35.26 67.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.271 -0.422 . . . . 75.31 110.873 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 659' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 75.15 110.904 -179.935 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 41.2 m . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.863 0.363 . . . . 71.44 110.878 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 582' ' ' VAL . . . . . . . . . . . . . 14.0 m -51.77 -37.57 20.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 74.42 111.141 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -69.03 -43.68 74.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 64.33 111.088 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 584' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -65.82 -55.24 18.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 74.11 110.843 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 585' ' ' VAL . . . . . . . . . . . . . 80.6 t -54.68 -34.03 28.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.475 . . . . 74.33 111.149 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -56.3 -38.93 71.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 72.51 110.889 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 587' ' ' ALA . . . . . . . . . . . . . . . -68.16 -34.12 75.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.108 -0.496 . . . . 61.42 111.054 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 588' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -68.68 -55.0 12.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 74.34 110.832 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 589' ' ' VAL . . . . . 0.42 ' HA ' HG12 ' A' ' 592' ' ' VAL . 4.2 p -62.71 -48.27 88.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 74.33 111.141 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 63.0 mt-10 -58.66 -30.27 67.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 64.13 110.896 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -73.87 -43.91 57.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 75.14 111.037 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 592' ' ' VAL . . . . . 0.42 HG12 ' HA ' ' A' ' 589' ' ' VAL . 7.2 p -75.94 -25.85 17.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 74.02 111.097 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.32 -41.96 65.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 75.35 110.898 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 64.4 t-80 -84.54 -46.63 11.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 75.1 110.898 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 595' ' ' LEU . . . . . . . . . . . . . 9.6 mt -79.49 -15.97 56.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 74.35 110.909 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 596' ' ' GLY . . . . . . . . . . . . . . . 79.15 165.31 29.45 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.772 -0.728 . . . . 73.43 112.452 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 16.9 p -72.94 -7.0 49.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.824 0.345 . . . . 74.35 111.086 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 598' ' ' GLY . . . . . . . . . . . . . . . -98.62 18.18 57.3 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.748 -0.739 . . . . 64.53 112.449 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 599' ' ' ARG . . . . . . . . . . . . . 38.5 mtt85 -137.87 64.76 1.5 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.801 0.334 . . . . 75.4 110.873 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 600' ' ' TRP . . . . . . . . . . . . . 21.4 m0 -59.85 -50.77 72.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.163 -0.471 . . . . 75.31 110.891 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 601' ' ' ARG . . . . . . . . . . . . . 15.4 ptt180 -53.29 -46.74 69.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 71.41 110.849 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 602' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -63.25 -34.53 77.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 74.11 110.871 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 66.9 t -65.34 -31.94 56.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 74.5 111.153 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.92 -49.33 59.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 75.51 110.865 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 605' ' ' MET . . . . . . . . . . . . . 19.0 ptp -73.32 -31.31 63.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.275 -0.421 . . . . 74.44 110.854 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 606' ' ' ARG . . . . . . . . . . . . . 18.7 tpp85 -71.82 -41.01 68.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 75.34 110.878 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -92.02 -69.91 0.72 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 54.13 111.106 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 608' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 75.42 110.869 -179.949 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 616' ' ' TYR . . . . . . . . . . . . . 14.0 p90 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.92 0.391 . . . . 72.35 110.926 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 617' ' ' VAL . . . . . . . . . . . . . 12.7 p -51.35 -32.88 13.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 71.24 111.149 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 618' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.16 -50.93 71.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 64.12 110.842 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 619' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -75.15 -28.67 60.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.16 -0.473 . . . . 75.32 110.884 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 620' ' ' LYS . . . . . . . . . . . . . 3.7 ttpm? -70.6 -35.39 72.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.247 -0.433 . . . . 74.41 110.865 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -71.86 -48.81 43.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 74.44 110.82 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -55.14 -44.03 74.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 74.45 110.865 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 623' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -67.88 -47.59 68.45 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.275 -0.42 . . . . 74.43 110.905 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 6.6 tttp -56.34 -55.28 35.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 73.34 110.889 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 12.8 t -60.73 -30.9 70.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 71.41 111.168 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 626' ' ' LEU . . . . . . . . . . . . . 3.4 mt -65.0 -47.28 78.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 74.2 110.952 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 627' ' ' VAL . . . . . . . . . . . . . 87.7 t -58.63 -55.06 25.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.244 -0.434 . . . . 55.13 111.15 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 628' ' ' HIS . . . . . . . . . . . . . 23.4 m80 -52.81 -33.91 51.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 70.13 110.844 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 629' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -79.31 -28.81 42.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 73.14 111.225 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -51.81 -49.66 62.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 73.41 111.052 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 13.1 t 173.66 67.12 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 63.23 110.881 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 632' ' ' ILE . . . . . . . . . . . . . 2.7 mp -135.35 -74.39 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.063 -0.517 . . . . 70.11 111.127 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 633' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 121.558 0.694 . . . . 62.11 111.126 179.788 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.138 0 CA-C-O 120.804 0.252 . . . . 71.44 112.419 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 642' ' ' VAL . . . . . . . . . . . . . 4.5 m -114.45 139.66 24.19 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.508 0.67 . . . . 74.23 111.191 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 128.5 16.11 Favored 'Trans proline' 0 C--N 1.34 0.131 0 C-N-CA 122.694 2.263 . . . . 75.51 112.31 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -66.4 -17.93 65.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.443 . . . . 74.2 110.863 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -69.02 -40.18 78.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 72.42 110.857 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 646' ' ' LEU . . . . . . . . . . . . . 44.0 mt -73.44 -53.84 9.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 75.12 110.923 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 647' ' ' LEU . . . . . . . . . . . . . 40.9 mt -53.2 -32.59 48.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.249 -0.432 . . . . 73.31 110.865 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -69.95 -46.75 64.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 74.23 110.894 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 20.2 mmt180 -65.82 -40.67 92.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 75.35 110.839 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 650' ' ' VAL . . . . . . . . . . . . . 70.0 t -57.56 -48.24 83.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 71.3 111.126 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 22.0 mt -65.74 -28.75 69.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 72.13 110.93 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -67.59 -48.8 65.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 72.54 111.106 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -73.25 -44.83 58.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.261 -0.427 . . . . 71.33 111.068 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 654' ' ' HIS . . . . . . . . . . . . . 62.6 t60 -53.08 -47.6 68.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.258 -0.428 . . . . 73.42 110.856 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -70.17 -45.24 67.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 74.41 111.125 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 72.5 t80 -55.7 -50.07 71.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 65.32 110.878 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 657' ' ' TRP . . . . . . . . . . . . . 58.5 m95 -70.24 -37.19 74.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.071 -0.513 . . . . 75.05 110.924 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 2.8 t -56.05 -32.46 64.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 73.02 110.843 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 659' ' ' GLN . . . . . . . . . . . . . 40.7 tt0 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 72.33 110.973 179.989 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 14.8 m . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.889 0.376 . . . . 74.42 110.878 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 582' ' ' VAL . . . . . . . . . . . . . 87.9 t -51.5 -38.92 21.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.12 -0.491 . . . . 73.54 111.065 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -72.06 -32.6 67.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 74.52 111.108 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 584' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -75.28 -56.39 4.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 72.52 110.922 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 585' ' ' VAL . . . . . . . . . . . . . 2.3 p -54.16 -32.85 23.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 73.34 111.138 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -50.08 -30.45 10.97 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.189 -0.46 . . . . 71.22 110.848 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 587' ' ' ALA . . . . . . . . . . . . . . . -75.54 -40.52 56.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 64.51 111.099 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 588' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -53.3 -54.78 31.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.278 -0.419 . . . . 72.53 110.959 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 589' ' ' VAL . . . . . . . . . . . . . 7.6 p -67.48 -44.11 86.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.172 -0.467 . . . . 62.33 111.119 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -53.77 -47.2 70.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 62.53 110.881 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -66.24 -35.87 81.55 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.183 -0.462 . . . . 62.14 111.126 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 592' ' ' VAL . . . . . . . . . . . . . 65.1 t -74.32 -24.84 19.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 74.33 111.092 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -72.6 -41.28 65.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 71.21 110.954 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 14.7 t-160 -86.79 -46.16 10.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 64.44 110.896 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 595' ' ' LEU . . . . . . . . . . . . . 23.7 mt -78.67 -23.8 45.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.433 . . . . 70.43 110.976 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 596' ' ' GLY . . . . . . . . . . . . . . . 83.38 -174.67 52.25 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.782 -0.723 . . . . 61.14 112.468 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 71.5 p -93.7 28.77 2.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.852 0.358 . . . . 70.22 111.167 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 598' ' ' GLY . . . . . . . . . . . . . . . -123.94 -9.77 5.56 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.663 -0.779 . . . . 73.12 112.467 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 599' ' ' ARG . . . . . . . . . . . . . 30.6 mtp180 -121.4 78.57 1.44 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.791 0.329 . . . . 74.04 110.867 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 600' ' ' TRP . . . . . . . . . . . . . 2.8 m0 -67.75 -50.16 58.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.196 -0.456 . . . . 72.41 110.898 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 601' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -53.41 -44.95 69.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.426 . . . . 65.45 110.835 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 602' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -64.47 -34.55 78.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 65.12 110.919 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 51.9 t -64.19 -33.74 64.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 74.13 111.128 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.45 -49.35 55.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.198 -0.456 . . . . 74.43 110.921 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 605' ' ' MET . . . . . . . . . . . . . 5.1 ptm -70.87 -31.44 68.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 73.51 110.816 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 606' ' ' ARG . . . . . . . . . . . . . 5.2 ttt-85 -76.58 -40.61 49.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 72.34 110.838 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -82.37 -66.91 0.83 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.276 -0.42 . . . . 71.34 111.113 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 608' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 74.42 110.815 -179.856 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 616' ' ' TYR . . . . . . . . . . . . . 24.5 p90 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.921 0.391 . . . . 75.21 110.905 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 617' ' ' VAL . . . . . . . . . . . . . 8.5 p -72.02 -33.36 47.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.092 -0.504 . . . . 73.04 111.104 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 618' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.3 -51.5 63.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 73.4 110.854 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 619' ' ' LEU . . . . . . . . . . . . . 3.9 pp -70.96 -40.98 71.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 74.43 110.886 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 620' ' ' LYS . . . . . . . . . . . . . 16.2 ttmm -59.86 -54.25 48.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 72.24 110.894 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -54.76 -41.89 71.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 75.32 110.907 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.98 -40.67 70.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 74.3 110.905 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 623' ' ' TRP . . . . . . . . . . . . . 15.5 t-105 -67.65 -46.48 72.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 75.14 110.931 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -51.89 -55.1 22.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 72.1 110.887 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 10.6 t -62.29 -29.04 70.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 72.43 111.179 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 626' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.84 -52.23 57.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.21 -0.45 . . . . 72.51 110.878 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 627' ' ' VAL . . . . . . . . . . . . . 91.5 t -60.16 -54.28 37.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 71.14 111.11 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 628' ' ' HIS . . . . . . . . . . . . . 46.3 m80 -53.39 -27.75 25.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 75.24 110.9 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 629' ' ' THR . . . . . . . . . . . . . 4.1 m -75.94 -30.8 58.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 73.31 111.1 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -53.52 -49.07 68.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 74.34 111.111 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 167.79 68.54 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 72.25 110.862 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 632' ' ' ILE . . . . . . . . . . . . . 1.8 mp -118.56 -74.03 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.486 . . . . 74.02 111.106 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 633' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-O 121.622 0.725 . . . . 45.13 111.074 179.897 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo . . . . . 0 N--CA 1.465 -0.194 0 CA-C-O 120.808 0.253 . . . . 70.41 112.327 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 642' ' ' VAL . . . . . . . . . . . . . 1.6 m -133.92 140.93 37.91 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.666 0.746 . . . . 71.34 111.108 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 127.27 14.34 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.686 2.257 . . . . 73.12 112.312 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 28.4 tp60 -73.27 -23.06 60.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 74.22 110.923 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -71.03 -35.48 72.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 64.32 110.835 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 646' ' ' LEU . . . . . . . . . . . . . 17.9 mt -75.48 -47.21 28.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 74.33 110.886 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 647' ' ' LEU . . . . . . . . . . . . . 39.1 mt -61.35 -35.14 76.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 74.13 110.864 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.36 -43.79 55.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 74.34 110.88 179.774 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 6.2 mmm180 -66.96 -49.46 65.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.167 -0.469 . . . . 71.45 110.854 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 650' ' ' VAL . . . . . . . . . . . . . 2.6 p -56.48 -34.51 41.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 75.12 111.092 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 15.8 mt -72.27 -32.42 66.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.151 -0.477 . . . . 55.14 110.85 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -63.08 -51.85 64.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 63.21 111.071 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -68.18 -50.9 51.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 72.14 111.001 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 654' ' ' HIS . . . . . . . . . . . . . 29.0 t60 -54.68 -34.44 62.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.294 -0.412 . . . . 73.43 110.811 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -77.81 -46.95 20.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 75.23 111.128 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 75.0 t80 -60.48 -48.22 82.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 74.23 110.951 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 657' ' ' TRP . . . . . . . . . . . . . 41.0 m95 -67.72 -34.23 76.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.092 -0.504 . . . . 73.34 110.944 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 3.3 t -60.89 -35.78 77.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 72.3 110.92 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 659' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 65.21 110.918 -179.942 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 30.0 m . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.934 0.397 . . . . 64.42 110.887 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 582' ' ' VAL . . . . . . . . . . . . . 27.1 m -56.66 -33.81 41.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.137 -0.483 . . . . 72.24 111.13 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -69.16 -43.45 74.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.463 . . . . 74.2 111.134 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 584' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -71.14 -46.82 60.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 73.12 110.824 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 585' ' ' VAL . . . . . . . . . . . . . 95.5 t -54.29 -34.99 28.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 71.44 111.148 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -52.38 -50.91 61.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 63.02 110.876 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 587' ' ' ALA . . . . . . . . . . . . . . . -58.85 -40.36 84.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.117 -0.492 . . . . 74.43 111.123 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 588' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.91 -47.44 77.46 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.197 -0.456 . . . . 74.13 110.925 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 589' ' ' VAL . . . . . . . . . . . . . 41.1 t -70.78 -54.08 19.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 75.13 111.094 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 73.3 mt-10 -51.18 -47.65 62.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.468 . . . . 73.45 110.912 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -61.22 -39.68 91.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 75.34 111.154 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 592' ' ' VAL . . . . . . . . . . . . . 41.5 t -74.02 -25.97 20.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 72.53 111.096 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -73.85 -39.05 64.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 63.24 110.895 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -86.33 -47.46 9.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 74.01 110.813 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 595' ' ' LEU . . . . . . . . . . . . . 17.3 mt -79.45 -23.58 43.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 74.21 110.855 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 596' ' ' GLY . . . . . . . . . . . . . . . 85.95 -176.1 48.85 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.702 -0.761 . . . . 65.34 112.476 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 5.9 p -94.83 26.21 3.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.846 0.355 . . . . 74.14 111.096 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 598' ' ' GLY . . . . . . . . . . . . . . . -125.9 6.06 7.85 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.729 -0.748 . . . . 64.22 112.502 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 599' ' ' ARG . . . . . . . . . . . . . 42.6 mtt180 -133.06 83.71 2.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.826 0.346 . . . . 75.24 110.875 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 600' ' ' TRP . . . . . . . . . . . . . 10.1 m0 -69.56 -50.51 44.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 73.12 110.909 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 601' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.49 -47.68 69.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.296 -0.411 . . . . 74.22 110.843 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 602' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -60.5 -39.39 87.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 62.42 110.885 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 40.3 t -61.61 -31.49 50.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 74.32 111.154 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 13.7 tttp -68.45 -49.65 58.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 75.24 110.876 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 605' ' ' MET . . . . . . . . . . . . . 17.9 ptm -72.91 -31.31 64.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 75.04 110.891 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 606' ' ' ARG . . . . . . . . . . . . . 7.3 tpm_? -75.08 -41.1 59.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 73.41 110.902 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -82.27 -60.39 2.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 73.44 111.115 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 608' ' ' PHE . . . . . . . . . . . . . 49.6 m-85 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.274 -0.421 . . . . 72.51 110.849 -179.939 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 616' ' ' TYR . . . . . . . . . . . . . 53.4 p90 . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.913 0.387 . . . . 74.41 110.891 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 617' ' ' VAL . . . . . . . . . . . . . 14.8 p -71.76 -33.04 47.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 70.11 111.138 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 618' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.04 -50.7 60.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 71.41 110.875 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 619' ' ' LEU . . . . . . . . . . . . . 1.3 pp -54.19 -32.9 56.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.191 -0.458 . . . . 72.51 110.899 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 620' ' ' LYS . . . . . . . . . . . . . 1.5 ttpp -63.01 -54.79 32.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 72.55 110.862 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -54.76 -30.83 57.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.282 -0.417 . . . . 64.13 110.916 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.05 -41.3 86.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 75.31 110.924 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 623' ' ' TRP . . . . . . . . . . . . . 35.2 t-105 -67.2 -49.92 62.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.468 . . . . 74.24 110.936 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -48.3 -55.92 9.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 61.2 110.879 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 10.2 t -62.07 -28.74 69.82 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.22 -0.445 . . . . 74.41 111.188 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 626' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.08 -47.66 76.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 74.53 110.909 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 627' ' ' VAL . . . . . . . . . . . . . 74.8 t -58.14 -54.95 25.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 74.33 111.123 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 628' ' ' HIS . . . . . 0.416 ' HA ' ' HB ' ' A' ' 632' ' ' ILE . 3.6 m80 -53.04 -31.3 40.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 73.25 110.859 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 629' ' ' THR . . . . . . . . . . . . . 51.7 m -72.42 -29.93 64.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 64.41 111.123 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -53.92 -50.19 66.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.424 . . . . 73.44 111.032 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 11.5 t 172.41 68.09 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.266 -0.425 . . . . 65.13 110.842 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 632' ' ' ILE . . . . . 0.416 ' HB ' ' HA ' ' A' ' 628' ' ' HIS . 2.3 mp -127.02 -75.85 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.101 -0.499 . . . . 74.2 111.059 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 633' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.327 0 CA-C-O 121.604 0.716 . . . . 74.4 111.116 179.825 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 N--CA 1.465 -0.161 0 CA-C-O 120.82 0.259 . . . . 74.32 112.307 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 642' ' ' VAL . . . . . . . . . . . . . 3.5 t -92.38 132.42 32.02 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.649 0.738 . . . . 74.32 111.13 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 128.6 16.29 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.62 2.213 . . . . 72.4 112.376 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -64.79 -20.24 66.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 74.04 110.919 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -60.45 -45.44 93.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.136 -0.484 . . . . 60.42 110.915 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 646' ' ' LEU . . . . . . . . . . . . . 25.6 mt -75.49 -53.28 8.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 72.22 110.871 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 647' ' ' LEU . . . . . . . . . . . . . 91.9 mt -52.25 -34.7 47.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 74.11 110.907 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -71.12 -45.94 62.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 74.24 110.913 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 83.5 mtt180 -65.57 -36.6 84.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.106 -0.497 . . . . 72.42 110.859 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 650' ' ' VAL . . . . . . . . . . . . . 43.0 t -64.09 -49.85 79.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.491 . . . . 74.34 111.167 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.66 -29.53 70.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.11 -0.495 . . . . 73.4 110.823 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -64.48 -50.46 67.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.267 -0.424 . . . . 62.41 111.121 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -75.68 -42.17 51.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 65.15 111.073 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 654' ' ' HIS . . . . . . . . . . . . . 62.9 t60 -54.54 -46.98 73.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 73.2 110.873 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -73.11 -46.9 48.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 75.03 111.112 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -54.25 -50.08 68.03 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.203 -0.453 . . . . 74.02 110.919 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 657' ' ' TRP . . . . . . . . . . . . . 71.0 m95 -71.05 -36.77 72.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.112 -0.495 . . . . 74.42 110.942 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 9.5 t -54.11 -31.82 53.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 62.35 110.855 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 659' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.079 -0.51 . . . . 63.13 110.958 -179.991 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.912 0.387 . . . . 70.21 110.876 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 582' ' ' VAL . . . . . . . . . . . . . 59.5 t -54.05 -30.77 20.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 64.44 111.138 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -67.63 -47.47 69.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 70.14 111.098 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 584' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -71.91 -41.77 67.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 74.24 110.91 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 585' ' ' VAL . . . . . . . . . . . . . 95.2 t -59.89 -35.91 63.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 75.25 111.179 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -60.45 -48.69 80.67 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.137 -0.483 . . . . 54.22 110.867 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 587' ' ' ALA . . . . . . . . . . . . . . . -60.14 -32.87 71.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 72.22 111.105 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 588' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -70.05 -49.4 51.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 73.51 110.888 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 589' ' ' VAL . . . . . 0.411 ' HA ' HG12 ' A' ' 592' ' ' VAL . 18.4 t -60.85 -57.44 12.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 74.41 111.122 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -55.77 -30.46 61.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 63.24 110.917 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -72.76 -45.74 57.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.104 -0.498 . . . . 73.54 111.102 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 592' ' ' VAL . . . . . 0.411 HG12 ' HA ' ' A' ' 589' ' ' VAL . 12.7 p -74.5 -26.2 19.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.455 . . . . 75.51 111.114 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.35 -41.69 63.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 73.44 110.945 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 7.7 t-80 -84.97 -47.3 10.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.123 -0.49 . . . . 74.23 110.864 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 595' ' ' LEU . . . . . . . . . . . . . 11.8 mt -79.84 -14.91 58.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.215 -0.448 . . . . 65.41 110.905 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 596' ' ' GLY . . . . . . . . . . . . . . . 81.16 170.06 42.82 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.806 -0.711 . . . . 65.02 112.487 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -80.58 0.75 32.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.834 0.349 . . . . 72.41 111.148 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 598' ' ' GLY . . . . . . . . . . . . . . . -100.16 -14.25 33.97 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.758 -0.734 . . . . 64.33 112.48 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 599' ' ' ARG . . . . . . . . . . . . . 10.7 mtt85 -104.12 70.44 0.98 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.774 0.321 . . . . 72.2 110.844 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 600' ' ' TRP . . . . . . . . . . . . . 21.8 m0 -62.81 -50.43 71.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.215 -0.448 . . . . 73.22 110.901 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 601' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -53.73 -47.64 70.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.226 -0.443 . . . . 75.11 110.879 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 602' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -63.03 -35.73 81.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 61.31 110.919 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 52.4 t -65.69 -31.69 54.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.151 -0.477 . . . . 73.12 111.199 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 1.5 ttpm? -68.19 -49.95 57.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 74.13 110.868 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 605' ' ' MET . . . . . . . . . . . . . 30.5 mtm -73.19 -30.92 63.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 75.2 110.915 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 606' ' ' ARG . . . . . . . . . . . . . 7.0 tpm_? -73.71 -41.06 63.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 72.34 110.869 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -91.02 -70.16 0.7 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.478 . . . . 73.51 111.073 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 608' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 75.1 110.905 -179.941 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 616' ' ' TYR . . . . . . . . . . . . . 28.7 p90 . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.983 0.42 . . . . 63.24 110.945 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 617' ' ' VAL . . . . . . . . . . . . . 11.8 p -72.16 -33.64 47.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.123 -0.489 . . . . 73.12 111.084 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 618' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.75 -50.77 40.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.277 -0.419 . . . . 75.04 110.89 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 619' ' ' LEU . . . . . . . . . . . . . 3.1 pp -66.79 -38.23 86.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 74.12 110.967 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 620' ' ' LYS . . . . . . . . . . . . . 17.7 ttmt -66.46 -44.21 83.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 74.53 110.958 179.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 52.8 t0 -71.62 -35.06 70.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.16 -0.473 . . . . 60.42 110.859 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 31.8 mtpt -58.95 -42.62 90.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 74.43 110.921 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 623' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -70.23 -47.71 60.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 74.01 110.893 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 2.6 tttp -51.67 -46.91 63.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 74.13 110.874 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 15.1 t -72.43 -28.51 63.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 73.35 111.149 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 626' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.21 -55.22 19.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 73.11 110.904 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 627' ' ' VAL . . . . . . . . . . . . . 4.0 p -58.26 -45.11 89.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 73.45 111.116 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 628' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.23 -26.69 68.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.187 -0.461 . . . . 73.41 110.922 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 629' ' ' THR . . . . . . . . . . . . . 7.5 m -77.17 -29.63 54.56 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.183 -0.462 . . . . 73.55 111.106 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -53.84 -48.48 69.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.261 -0.427 . . . . 73.35 111.121 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 170.02 68.87 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 73.4 110.861 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 632' ' ' ILE . . . . . . . . . . . . . 1.8 mp -123.46 -73.35 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.091 -0.504 . . . . 74.34 111.161 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 633' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-O 121.621 0.724 . . . . 72.3 111.142 179.803 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.792 0.247 . . . . 71.04 112.377 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 642' ' ' VAL . . . . . . . . . . . . . 1.5 p -134.46 130.96 20.21 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.598 0.713 . . . . 74.42 111.099 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 128.51 16.1 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.691 2.261 . . . . 72.34 112.343 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -75.97 -22.59 55.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 72.2 110.932 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 52.0 t0 -70.65 -35.3 72.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 74.53 110.896 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 646' ' ' LEU . . . . . . . . . . . . . 42.6 mt -76.05 -50.26 15.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 73.12 110.911 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 647' ' ' LEU . . . . . . . . . . . . . 50.1 mt -55.46 -43.06 75.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 75.52 110.942 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -64.47 -47.37 79.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 75.25 110.845 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 75.1 mtt180 -64.49 -37.5 87.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.212 -0.449 . . . . 72.52 110.868 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 650' ' ' VAL . . . . . . . . . . . . . 51.1 t -57.0 -49.99 77.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 74.55 111.187 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 6.0 mp -61.82 -36.87 82.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 62.35 110.949 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -54.63 -51.09 66.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 65.34 111.1 179.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -76.01 -44.51 39.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 75.32 111.093 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 654' ' ' HIS . . . . . . . . . . . . . 63.3 t60 -54.15 -44.38 71.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 74.24 110.818 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -77.24 -46.79 22.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 73.15 111.103 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 79.9 t80 -53.82 -50.29 66.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 71.32 110.887 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 657' ' ' TRP . . . . . . . . . . . . . 69.4 m95 -71.31 -33.73 69.94 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.11 -0.495 . . . . 74.31 110.952 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -56.91 -31.05 64.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 74.33 110.887 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 659' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 71.32 110.849 -179.948 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 12.9 m . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.946 0.403 . . . . 73.24 110.819 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 582' ' ' VAL . . . . . . . . . . . . . 87.0 t -51.96 -39.01 24.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.082 -0.508 . . . . 72.02 111.111 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -69.27 -34.9 75.46 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.186 -0.461 . . . . 54.32 111.064 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 584' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -75.26 -38.5 60.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 65.21 110.834 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 585' ' ' VAL . . . . . . . . . . . . . 60.5 t -71.95 -34.58 51.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 75.32 111.131 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -51.22 -30.79 18.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.084 -0.507 . . . . 74.23 110.911 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 587' ' ' ALA . . . . . . . . . . . . . . . -76.16 -35.48 59.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 71.52 111.122 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 588' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.88 -48.35 79.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 70.11 110.891 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 589' ' ' VAL . . . . . . . . . . . . . 10.4 t -68.35 -55.91 14.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 73.02 111.133 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -51.04 -43.57 60.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.083 -0.508 . . . . 72.34 110.903 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -66.94 -41.86 86.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 70.35 111.146 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 592' ' ' VAL . . . . . 0.403 ' O ' ' CA ' ' A' ' 596' ' ' GLY . 40.7 t -69.26 -25.22 28.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.262 -0.426 . . . . 75.44 111.081 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -73.23 -38.41 66.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.492 . . . . 74.32 110.852 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -86.67 -47.7 8.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 72.24 110.921 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 595' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -79.37 -24.1 42.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 74.42 110.899 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 596' ' ' GLY . . . . . 0.403 ' CA ' ' O ' ' A' ' 592' ' ' VAL . . . 87.74 -167.38 36.7 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.75 -0.738 . . . . 72.11 112.516 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 4.5 p -102.52 34.12 2.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.854 0.359 . . . . 74.21 111.108 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 598' ' ' GLY . . . . . . . . . . . . . . . -143.8 11.71 2.15 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.748 -0.739 . . . . 73.43 112.473 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 599' ' ' ARG . . . . . . . . . . . . . 70.4 mtt180 -132.06 77.41 1.76 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.801 0.334 . . . . 73.14 110.842 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 600' ' ' TRP . . . . . . . . . . . . . 11.1 m0 -69.46 -50.25 47.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.485 . . . . 72.41 110.919 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 601' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.61 -36.55 56.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.43 . . . . 74.04 110.864 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 602' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -76.86 -48.72 17.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 73.03 110.904 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 52.9 t -58.5 -36.09 57.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.081 -0.509 . . . . 73.31 111.154 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 2.3 ttpm? -71.9 -41.24 68.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 73.32 110.901 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 605' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -71.28 -32.99 69.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 74.44 110.874 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 606' ' ' ARG . . . . . . . . . . . . . 26.7 ttm-85 -80.94 -40.48 24.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 75.1 110.847 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -83.81 -70.97 0.53 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 65.12 111.074 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 608' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 74.33 110.849 -179.883 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 616' ' ' TYR . . . . . . . . . . . . . 16.8 p90 . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.936 0.398 . . . . 74.41 110.933 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 617' ' ' VAL . . . . . . . . . . . . . 12.2 p -65.17 -32.55 58.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.084 -0.507 . . . . 73.24 111.172 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 618' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -51.52 -29.72 17.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 65.34 110.89 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 619' ' ' LEU . . . . . . . . . . . . . 4.5 mt -77.18 -53.06 8.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 73.04 110.97 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 620' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.39 -33.09 73.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 72.44 110.91 179.807 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -68.98 -50.44 49.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 71.34 110.914 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.5 -33.73 74.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 74.51 110.917 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 623' ' ' TRP . . . . . . . . . . . . . 9.1 t-105 -74.19 -54.98 6.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 70.43 110.912 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 2.6 tmtt? -51.64 -45.48 63.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 73.2 110.896 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 9.0 t -71.04 -28.99 64.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.25 -0.432 . . . . 63.12 111.159 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 626' ' ' LEU . . . . . . . . . . . . . 4.7 tp -71.19 -55.07 8.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 73.31 110.844 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 627' ' ' VAL . . . . . . . . . . . . . 6.3 p -57.43 -43.84 83.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 73.33 111.106 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 628' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -57.86 -39.32 77.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 73.3 110.857 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 629' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -66.31 -29.63 69.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 73.51 111.049 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -54.26 -49.04 70.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.307 -0.406 . . . . 72.33 111.093 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 11.5 t 173.54 69.27 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.429 . . . . 73.05 110.842 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 632' ' ' ILE . . . . . . . . . . . . . 1.9 mp -129.07 -72.57 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 74.23 111.086 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 633' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 121.596 0.712 . . . . 73.32 111.084 179.867 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo . . . . . 0 N--CA 1.466 -0.144 0 CA-C-O 120.824 0.26 . . . . 73.21 112.295 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 642' ' ' VAL . . . . . . . . . . . . . 3.2 p -133.37 134.45 23.94 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.686 0.755 . . . . 71.41 111.092 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 128.74 16.46 Favored 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 122.715 2.277 . . . . 70.41 112.323 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 44.0 tt0 -70.25 -25.61 63.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.232 -0.44 . . . . 74.23 110.949 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -64.56 -39.14 93.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.179 -0.464 . . . . 73.41 110.871 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 646' ' ' LEU . . . . . . . . . . . . . 17.5 mt -75.39 -42.64 53.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 74.34 110.944 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 647' ' ' LEU . . . . . . . . . . . . . 44.5 mt -67.62 -35.49 79.03 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.174 -0.466 . . . . 73.41 110.868 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -72.72 -39.8 66.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 72.15 110.892 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 16.5 mmt180 -74.69 -48.48 25.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 74.45 110.845 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 650' ' ' VAL . . . . . . . . . . . . . 9.8 p -55.9 -35.61 41.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.238 -0.437 . . . . 71.32 111.133 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 39.4 mt -72.94 -37.65 67.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 74.31 110.903 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -57.24 -52.49 65.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 65.13 111.1 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -70.62 -44.09 67.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.431 . . . . 74.01 111.084 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 654' ' ' HIS . . . . . . . . . . . . . 36.0 t-80 -56.08 -44.06 78.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 72.12 110.895 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -77.42 -46.76 21.63 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.16 -0.473 . . . . 74.33 111.14 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 80.2 t80 -55.56 -50.02 71.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 75.33 110.938 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 657' ' ' TRP . . . . . . . . . . . . . 69.0 m95 -70.82 -30.92 67.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.136 -0.484 . . . . 74.42 110.922 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 8.9 t -58.99 -34.61 72.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.244 -0.434 . . . . 75.31 110.875 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 659' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 72.22 110.885 -179.951 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 34.7 m . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.887 0.375 . . . . 54.43 110.839 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 582' ' ' VAL . . . . . . . . . . . . . 85.8 t -51.7 -37.66 20.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.486 . . . . 75.3 111.155 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -69.97 -35.08 74.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 71.22 111.1 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 584' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -74.71 -52.86 10.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.291 -0.413 . . . . 64.24 110.893 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 585' ' ' VAL . . . . . . . . . . . . . 88.5 t -53.8 -33.88 24.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 54.24 111.136 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -60.69 -30.96 70.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 72.41 110.869 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 587' ' ' ALA . . . . . . . . . . . . . . . -71.25 -47.91 54.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 73.51 111.128 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 588' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.38 -54.88 34.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 71.01 110.92 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 589' ' ' VAL . . . . . . . . . . . . . 4.5 p -62.43 -46.47 96.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 74.51 111.181 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -51.45 -47.45 63.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.117 -0.492 . . . . 73.3 110.916 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -70.13 -35.06 73.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.136 -0.483 . . . . 73.54 111.165 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 592' ' ' VAL . . . . . 0.413 ' O ' ' CA ' ' A' ' 596' ' ' GLY . 4.3 t -70.53 -27.94 33.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.197 -0.456 . . . . 74.51 111.097 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -75.64 -35.31 60.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 64.05 110.889 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -85.6 -48.01 9.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 63.42 110.903 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 595' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -82.09 -24.65 35.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 71.01 110.879 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 596' ' ' GLY . . . . . 0.413 ' CA ' ' O ' ' A' ' 592' ' ' VAL . . . 89.96 -145.37 18.17 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.737 -0.744 . . . . 61.54 112.537 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 3.2 p -122.61 27.98 7.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.825 0.345 . . . . 75.15 111.162 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 598' ' ' GLY . . . . . . . . . . . . . . . -131.84 1.8 5.14 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.761 -0.733 . . . . 74.24 112.455 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 599' ' ' ARG . . . . . . . . . . . . . 61.6 mtm-85 -128.09 83.03 2.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.767 0.318 . . . . 74.54 110.927 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 600' ' ' TRP . . . . . . . . . . . . . 10.8 m0 -69.35 -50.61 44.75 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.234 -0.439 . . . . 75.22 110.905 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 601' ' ' ARG . . . . . . . . . . . . . 18.5 ptt180 -53.58 -47.82 69.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.436 . . . . 75.02 110.85 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 602' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -61.62 -36.99 82.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.438 . . . . 55.3 110.882 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 24.8 t -62.58 -31.95 53.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.455 . . . . 72.3 111.094 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.98 -46.77 64.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 64.35 110.847 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 605' ' ' MET . . . . . . . . . . . . . 3.3 mmt -69.94 -31.36 69.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.426 . . . . 71.05 110.895 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 606' ' ' ARG . . . . . . . . . . . . . 15.7 tpp180 -78.91 -40.58 31.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 73.2 110.917 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -79.29 -65.64 0.97 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 75.04 111.111 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 608' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.275 -0.421 . . . . 73.54 110.87 -179.901 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 616' ' ' TYR . . . . . . . . . . . . . 24.6 p90 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.94 0.4 . . . . 73.3 110.958 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 617' ' ' VAL . . . . . . . . . . . . . 9.3 p -69.17 -33.92 60.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.059 -0.518 . . . . 70.5 111.137 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 618' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.67 -51.44 67.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.496 . . . . 71.34 110.839 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 619' ' ' LEU . . . . . . . . . . . . . 4.5 pp -75.71 -21.54 57.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 73.4 110.896 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 620' ' ' LYS . . . . . . . . . . . . . 13.5 ttmm -74.53 -39.85 62.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.242 -0.435 . . . . 74.05 110.853 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 49.0 t0 -71.2 -45.89 62.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.262 -0.426 . . . . 64.15 110.878 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -63.23 -33.86 76.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 73.45 110.949 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 623' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -66.64 -45.32 79.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 75.34 110.894 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -55.78 -54.44 44.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 73.22 110.901 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 4.2 t -62.04 -34.3 75.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 75.42 111.156 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 626' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.1 -53.58 55.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 65.42 110.904 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 627' ' ' VAL . . . . . . . . . . . . . 8.3 t -59.84 -55.41 24.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.283 -0.417 . . . . 73.51 111.09 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 628' ' ' HIS . . . . . 0.446 ' HA ' ' HB ' ' A' ' 632' ' ' ILE . 5.8 m-70 -53.51 -27.06 23.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 64.13 110.863 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 629' ' ' THR . . . . . . . . . . . . . 52.2 m -75.97 -31.24 58.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.256 -0.429 . . . . 73.23 111.149 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -53.01 -51.21 62.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 73.11 111.137 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 10.8 t 169.9 66.66 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 75.55 110.845 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 632' ' ' ILE . . . . . 0.446 ' HB ' ' HA ' ' A' ' 628' ' ' HIS . 1.9 mp -120.37 -76.63 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 71.41 111.147 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 633' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-O 121.661 0.743 . . . . 70.41 111.114 179.79 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 C--O 1.231 0.153 0 CA-C-O 120.843 0.268 . . . . 72.24 112.309 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 642' ' ' VAL . . . . . . . . . . . . . 5.5 m -114.06 139.16 23.33 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.617 0.723 . . . . 74.41 111.173 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 128.24 15.82 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.641 2.228 . . . . 71.22 112.396 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 11.1 tp60 -65.47 -19.61 66.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.182 -0.463 . . . . 75.1 110.911 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -69.21 -38.07 78.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 72.32 110.9 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 646' ' ' LEU . . . . . . . . . . . . . 59.6 mt -75.27 -53.79 8.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.49 . . . . 64.22 110.939 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 647' ' ' LEU . . . . . . . . . . . . . 34.9 mt -52.46 -43.74 65.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 74.33 110.929 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -61.65 -48.83 79.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 75.04 110.805 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -60.79 -44.34 96.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 75.35 110.848 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 650' ' ' VAL . . . . . . . . . . . . . 62.1 t -54.63 -48.6 71.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 74.45 111.107 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 1.3 mp -71.43 -25.22 62.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 75.31 110.95 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -66.95 -49.1 66.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.471 . . . . 75.1 111.137 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -71.06 -49.31 46.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.441 . . . . 55.44 111.068 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 654' ' ' HIS . . . . . . . . . . . . . 20.5 m-70 -58.23 -31.42 67.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 72.2 110.903 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -70.96 -46.88 61.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 74.22 111.096 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 85.7 t80 -67.98 -44.9 75.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.283 -0.417 . . . . 75.54 110.93 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 657' ' ' TRP . . . . . . . . . . . . . 20.8 m95 -64.13 -43.9 93.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.09 -0.505 . . . . 73.12 110.873 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 38.4 m -62.79 -31.84 72.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 54.34 110.813 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 659' ' ' GLN . . . . . . . . . . . . . 18.8 tp60 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 75.14 110.899 -179.92 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 50.9 m . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.901 0.382 . . . . 53.44 110.843 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 582' ' ' VAL . . . . . . . . . . . . . 91.1 t -60.64 -42.49 91.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 71.03 111.136 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -70.01 -31.64 69.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 71.11 111.138 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 584' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -75.28 -55.23 5.92 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.228 -0.442 . . . . 73.42 110.926 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 585' ' ' VAL . . . . . . . . . . . . . 98.2 t -54.75 -34.17 29.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 74.43 111.143 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -51.35 -31.04 20.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 73.4 110.861 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 587' ' ' ALA . . . . . . . . . . . . . . . -70.18 -37.44 75.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 74.13 111.104 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 588' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.93 -54.73 41.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 75.23 110.897 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 589' ' ' VAL . . . . . . . . . . . . . 7.7 p -66.41 -43.67 91.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.128 -0.487 . . . . 73.41 111.207 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -52.47 -47.77 66.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 73.4 110.869 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -67.03 -34.67 78.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.481 . . . . 73.21 111.097 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 592' ' ' VAL . . . . . 0.406 ' O ' ' CA ' ' A' ' 596' ' ' GLY . 24.1 t -74.21 -26.29 20.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.452 . . . . 72.22 111.152 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.54 -40.47 63.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.485 . . . . 74.05 110.918 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -86.01 -47.09 9.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.071 -0.513 . . . . 74.54 110.872 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 595' ' ' LEU . . . . . . . . . . . . . 17.3 mt -79.29 -23.85 43.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 62.42 110.862 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 596' ' ' GLY . . . . . 0.406 ' CA ' ' O ' ' A' ' 592' ' ' VAL . . . 87.87 -151.19 22.84 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.748 -0.739 . . . . 42.01 112.453 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 6.6 p -116.89 29.51 7.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.783 0.325 . . . . 75.33 111.113 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 598' ' ' GLY . . . . . . . . . . . . . . . -127.71 -4.0 5.82 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.709 -0.758 . . . . 44.43 112.51 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 599' ' ' ARG . . . . . . . . . . . . . 32.1 mtt180 -124.3 79.85 1.78 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.807 0.337 . . . . 71.34 110.876 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 600' ' ' TRP . . . . . . . . . . . . . 15.7 m0 -67.65 -48.54 66.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.205 -0.452 . . . . 75.24 110.924 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 601' ' ' ARG . . . . . . . . . . . . . 33.5 mmt180 -52.82 -47.93 67.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.441 . . . . 74.54 110.868 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 602' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -62.53 -36.34 82.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 72.41 110.831 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 55.2 t -62.95 -31.99 54.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 75.25 111.06 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 14.2 ttmm -70.13 -48.85 55.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 71.31 110.897 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 605' ' ' MET . . . . . . . . . . . . . 6.0 ptm -71.4 -31.22 67.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 72.33 110.938 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 606' ' ' ARG . . . . . . . . . . . . . 7.0 tpm_? -77.02 -41.1 44.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 73.35 110.848 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -85.24 -69.23 0.67 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 74.14 111.062 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 608' ' ' PHE . . . . . . . . . . . . . 72.0 m-85 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 75.24 110.904 -179.914 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 616' ' ' TYR . . . . . . . . . . . . . 27.6 p90 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.945 0.402 . . . . 74.1 110.907 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 617' ' ' VAL . . . . . . . . . . . . . 14.7 p -51.34 -33.11 13.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.061 -0.518 . . . . 75.12 111.1 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 618' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.32 -51.0 67.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 72.42 110.797 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 619' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -71.49 -25.07 62.11 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.226 -0.443 . . . . 75.02 110.904 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 620' ' ' LYS . . . . . . . . . . . . . 21.8 tttt -69.37 -38.92 78.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 72.14 110.892 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -71.57 -44.45 64.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.446 . . . . 73.45 110.899 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.16 -31.23 71.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 74.53 110.881 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 623' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -71.57 -53.97 12.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 73.51 110.903 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 9.6 tmtt? -57.32 -48.91 77.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 75.15 110.89 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 12.3 t -62.07 -30.93 71.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.295 -0.411 . . . . 75.55 111.169 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 626' ' ' LEU . . . . . . . . . . . . . 2.6 mt -64.8 -54.74 26.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 74.33 110.909 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 627' ' ' VAL . . . . . . . . . . . . . 3.9 t -57.37 -55.64 19.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 72.2 111.084 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 628' ' ' HIS . . . . . 0.439 ' HA ' ' HB ' ' A' ' 632' ' ' ILE . 12.1 m80 -52.94 -30.3 33.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 74.42 110.824 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 629' ' ' THR . . . . . . . . . . . . . 39.9 m -79.44 -29.75 41.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.25 -0.432 . . . . 74.52 111.129 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -54.13 -49.87 68.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.267 -0.424 . . . . 71.31 111.089 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 171.02 67.58 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 74.44 110.829 -179.775 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 632' ' ' ILE . . . . . 0.439 ' HB ' ' HA ' ' A' ' 628' ' ' HIS . 1.7 mp -118.24 -66.13 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 75.54 111.137 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 633' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.336 0 CA-C-O 121.542 0.687 . . . . 43.34 111.118 179.8 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.842 0.267 . . . . 72.24 112.267 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 642' ' ' VAL . . . . . . . . . . . . . 2.1 p -134.24 131.46 20.65 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.587 0.708 . . . . 75.44 111.11 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 128.64 16.35 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.657 2.238 . . . . 65.02 112.366 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -75.65 -19.27 59.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.255 -0.43 . . . . 73.32 110.893 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -70.7 -38.85 73.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 62.33 110.861 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 646' ' ' LEU . . . . . . . . . . . . . 13.3 mt -75.51 -46.05 34.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 73.41 110.903 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 647' ' ' LEU . . . . . . . . . . . . . 39.4 mt -60.12 -52.1 66.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 74.55 110.912 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -56.4 -48.7 76.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 64.31 110.879 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 36.7 mmm-85 -65.24 -28.41 69.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 72.31 110.872 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 650' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -69.92 -47.01 71.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 74.1 111.108 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 27.5 mt -72.82 -25.75 61.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.173 -0.467 . . . . 63.33 110.885 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -67.12 -52.56 40.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 73.32 111.095 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -68.56 -53.06 25.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 73.14 111.1 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 654' ' ' HIS . . . . . . . . . . . . . 64.0 m170 -54.52 -30.62 54.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 75.54 110.839 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -69.79 -46.99 64.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.259 -0.428 . . . . 74.11 111.173 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 66.8 t80 -69.16 -48.98 60.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 73.33 110.963 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 657' ' ' TRP . . . . . . . . . . . . . 21.8 m95 -58.62 -41.23 85.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 74.42 110.896 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 19.9 t -71.25 -30.66 66.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.436 . . . . 64.14 110.812 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 659' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 64.33 110.903 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.89 0.376 . . . . 73.14 110.889 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 582' ' ' VAL . . . . . . . . . . . . . 84.8 t -52.94 -37.77 26.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.48 . . . . 71.11 111.132 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -71.99 -33.7 68.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 73.23 111.125 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 584' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -74.78 -56.08 5.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 75.13 110.887 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 585' ' ' VAL . . . . . . . . . . . . . 2.6 p -54.2 -32.49 23.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 73.24 111.16 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -49.94 -30.36 10.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.483 . . . . 72.42 110.902 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 587' ' ' ALA . . . . . . . . . . . . . . . -76.45 -40.64 49.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 75.13 111.117 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 588' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -56.5 -50.66 71.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 74.32 110.896 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 589' ' ' VAL . . . . . 0.411 ' HA ' HG13 ' A' ' 592' ' ' VAL . 18.5 t -63.72 -56.72 15.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.473 . . . . 75.24 111.121 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -55.16 -27.7 47.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 75.3 110.815 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -75.21 -45.91 37.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 53.31 111.045 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 592' ' ' VAL . . . . . 0.411 HG13 ' HA ' ' A' ' 589' ' ' VAL . 10.7 p -74.72 -25.92 19.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 74.23 111.169 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -72.8 -42.17 64.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.124 -0.489 . . . . 72.43 110.904 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 51.0 t-80 -84.25 -46.6 11.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 73.05 110.913 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 595' ' ' LEU . . . . . . . . . . . . . 11.0 mt -79.52 -16.06 56.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.207 -0.451 . . . . 60.42 110.875 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 596' ' ' GLY . . . . . . . . . . . . . . . 83.29 167.14 41.07 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.709 -0.758 . . . . 74.54 112.501 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 2.0 p -77.9 -2.25 35.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.843 0.354 . . . . 73.21 111.124 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 598' ' ' GLY . . . . . . . . . . . . . . . -104.23 17.4 47.83 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.771 -0.728 . . . . 72.21 112.483 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 599' ' ' ARG . . . . . . . . . . . . . 90.3 mtt180 -135.18 66.32 1.53 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.796 0.332 . . . . 74.34 110.904 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 600' ' ' TRP . . . . . . . . . . . . . 12.3 m0 -60.02 -50.51 73.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 64.12 110.932 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 601' ' ' ARG . . . . . . . . . . . . . 56.7 mtm180 -52.95 -47.36 68.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 64.11 110.875 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 602' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -64.03 -34.41 77.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 74.24 110.812 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 57.3 t -65.69 -32.62 59.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.277 -0.42 . . . . 72.33 111.118 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 15.6 ttpp -68.92 -48.64 62.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 75.53 110.865 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 605' ' ' MET . . . . . . . . . . . . . 25.8 ptm -73.11 -31.37 64.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 64.34 110.905 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 606' ' ' ARG . . . . . . . . . . . . . 17.6 tpp180 -73.24 -40.69 64.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.226 -0.443 . . . . 74.42 110.909 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -89.97 -69.59 0.71 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 43.01 111.091 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 608' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 73.53 110.868 -179.924 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 616' ' ' TYR . . . . . . . . . . . . . 11.4 p90 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.957 0.408 . . . . 71.52 110.961 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 617' ' ' VAL . . . . . . . . . . . . . 14.9 p -71.56 -33.11 48.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 54.45 111.111 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 618' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -54.86 -51.02 67.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 75.13 110.88 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 619' ' ' LEU . . . . . . . . . . . . . 1.5 pp -71.87 -32.45 67.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 75.04 110.925 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 620' ' ' LYS . . . . . . . . . . . . . 4.9 tmtt? -63.7 -38.85 92.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 75.05 110.92 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -71.78 -41.16 68.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 61.34 110.847 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 9.2 mmtm -55.28 -41.43 72.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 75.32 110.891 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 623' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -68.73 -50.64 49.06 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.246 -0.434 . . . . 75.22 110.961 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -51.71 -54.89 23.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 75.21 110.926 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 15.2 t -61.16 -30.67 70.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.255 -0.43 . . . . 64.52 111.121 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 626' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.53 -49.9 74.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 72.41 110.954 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 627' ' ' VAL . . . . . . . . . . . . . 91.1 t -58.1 -54.64 29.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 74.41 111.164 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 628' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -53.61 -27.31 26.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 73.4 110.868 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 629' ' ' THR . . . . . . . . . . . . . 48.7 m -78.21 -28.83 48.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 64.05 111.119 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 630' ' ' ALA . . . . . 0.403 ' O ' ' CB ' ' A' ' 631' ' ' SER . . . -53.17 -50.77 63.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 73.44 111.09 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 631' ' ' SER . . . . . 0.403 ' CB ' ' O ' ' A' ' 630' ' ' ALA . 0.4 OUTLIER 167.73 67.19 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 52.44 110.856 -179.763 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 632' ' ' ILE . . . . . . . . . . . . . 1.7 mp -110.59 -66.54 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 64.34 111.104 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 633' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.352 0 CA-C-O 121.574 0.702 . . . . 75.22 111.059 179.877 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 N--CA 1.466 -0.12 0 CA-C-O 120.911 0.296 . . . . 72.32 112.382 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 642' ' ' VAL . . . . . . . . . . . . . 15.0 t -104.42 133.92 19.95 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.673 0.749 . . . . 75.33 111.138 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.85 128.4 15.89 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.643 2.229 . . . . 72.34 112.261 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 66.2 tt0 -65.27 -17.38 64.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 75.43 110.986 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -68.05 -47.55 68.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 70.53 110.814 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 646' ' ' LEU . . . . . . . . . . . . . 18.5 mt -74.69 -33.45 62.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 74.25 110.902 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 647' ' ' LEU . . . . . . . . . . . . . 94.5 mt -72.5 -52.13 17.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 64.53 110.927 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -61.25 -30.59 70.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 64.54 110.882 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 12.2 mtt-85 -72.42 -45.25 60.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 60.33 110.897 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 650' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -61.81 -32.5 54.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 73.44 111.094 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -71.31 -42.83 68.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 71.21 110.949 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -54.44 -47.78 72.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 75.44 111.148 179.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -75.92 -42.57 48.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 72.32 111.048 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 654' ' ' HIS . . . . . . . . . . . . . 16.2 t-80 -54.52 -45.47 73.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.428 . . . . 64.24 110.852 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -77.36 -46.06 24.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.215 -0.448 . . . . 73.51 111.104 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -54.48 -49.98 68.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.13 -0.486 . . . . 75.3 110.932 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 657' ' ' TRP . . . . . . . . . . . . . 68.7 m95 -70.72 -33.02 70.41 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.112 -0.495 . . . . 74.45 110.923 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 27.3 t -64.28 -32.15 73.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 63.23 110.835 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 659' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.102 -0.499 . . . . 63.42 110.878 -179.989 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.861 0.363 . . . . 55.52 110.897 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 582' ' ' VAL . . . . . . . . . . . . . 96.7 t -51.49 -41.22 26.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 74.3 111.184 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -70.49 -31.47 68.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 75.0 111.1 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 584' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -74.92 -55.65 5.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.256 -0.429 . . . . 71.43 110.878 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 585' ' ' VAL . . . . . . . . . . . . . 92.0 t -54.85 -34.12 29.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 65.52 111.102 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -51.21 -31.45 20.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 53.43 110.888 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 587' ' ' ALA . . . . . . . . . . . . . . . -69.1 -44.89 71.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.488 . . . . 62.21 111.117 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 588' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.37 -51.22 63.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 72.22 110.927 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 589' ' ' VAL . . . . . . . . . . . . . 7.4 p -71.37 -43.66 73.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 75.12 111.105 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -52.76 -47.82 67.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 74.24 110.919 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -68.84 -33.71 74.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 65.5 111.124 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 592' ' ' VAL . . . . . 0.409 ' O ' ' CA ' ' A' ' 596' ' ' GLY . 40.6 t -74.77 -26.06 19.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 74.41 111.146 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.5 -40.04 64.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 65.42 110.899 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 63.1 m170 -85.93 -46.89 10.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.441 . . . . 73.32 110.922 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 595' ' ' LEU . . . . . . . . . . . . . 9.6 mt -79.76 -24.02 41.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 74.33 110.937 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 596' ' ' GLY . . . . . 0.409 ' CA ' ' O ' ' A' ' 592' ' ' VAL . . . 89.55 -177.43 43.74 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.722 -0.751 . . . . 61.4 112.529 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -92.82 21.0 5.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.854 0.359 . . . . 73.22 111.205 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 598' ' ' GLY . . . . . . . . . . . . . . . -125.87 11.87 7.35 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.761 -0.733 . . . . 33.43 112.52 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 599' ' ' ARG . . . . . . . . . . . . . 46.9 mtt-85 -135.21 70.41 1.44 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.827 0.346 . . . . 75.22 110.926 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 600' ' ' TRP . . . . . . . . . . . . . 5.2 m0 -63.14 -49.32 74.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 75.41 110.92 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 601' ' ' ARG . . . . . . . . . . . . . 34.7 mtt-85 -52.78 -40.03 62.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 74.55 110.908 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 602' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -72.12 -31.55 66.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 75.45 110.884 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 75.0 t -64.34 -38.66 83.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 75.32 111.106 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 37.9 tttp -72.09 -42.69 65.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 75.22 110.915 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 605' ' ' MET . . . . . . . . . . . . . 23.4 mtp -70.97 -31.58 68.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 74.21 110.843 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 606' ' ' ARG . . . . . . . . . . . . . 13.1 ttm-85 -81.54 -40.34 23.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 74.2 110.897 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -84.56 -70.26 0.59 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 72.41 111.042 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 608' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.277 -0.419 . . . . 74.42 110.836 -179.854 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 616' ' ' TYR . . . . . . . . . . . . . 21.0 p90 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.962 0.41 . . . . 74.43 110.996 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 617' ' ' VAL . . . . . . . . . . . . . 14.5 p -71.67 -33.63 49.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.107 -0.497 . . . . 75.44 111.102 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 618' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.02 -51.08 69.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 75.31 110.845 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 619' ' ' LEU . . . . . . . . . . . . . 1.3 pp -68.88 -23.29 64.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.174 -0.466 . . . . 63.15 110.895 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 620' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.11 -39.52 82.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.452 . . . . 72.51 110.935 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -71.55 -49.75 37.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 74.3 110.911 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 1.4 tppp? -58.93 -27.78 65.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 75.32 110.936 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 623' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -74.32 -54.45 7.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 72.03 110.928 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.09 -40.67 46.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.258 -0.428 . . . . 74.02 110.877 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 9.4 t -75.71 -37.66 59.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 73.23 111.119 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 626' ' ' LEU . . . . . . . . . . . . . 1.6 mt -56.53 -55.97 27.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.43 . . . . 65.25 110.916 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 627' ' ' VAL . . . . . . . . . . . . . 14.2 t -60.81 -55.69 22.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 75.23 111.114 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 628' ' ' HIS . . . . . 0.431 ' HA ' ' HB ' ' A' ' 632' ' ' ILE . 1.2 m80 -54.07 -28.69 40.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 73.31 110.831 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 629' ' ' THR . . . . . . . . . . . . . 21.5 m -79.8 -29.27 40.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 72.34 111.14 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -52.85 -49.82 64.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 62.41 111.074 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 168.26 66.85 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 74.32 110.779 -179.809 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 632' ' ' ILE . . . . . 0.431 ' HB ' ' HA ' ' A' ' 628' ' ' HIS . 2.4 mp -128.84 -74.51 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.096 -0.502 . . . . 74.11 111.169 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 633' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.34 0 CA-C-O 121.617 0.722 . . . . 64.32 111.05 179.823 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.163 0 CA-C-O 120.735 0.223 . . . . 72.14 112.375 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 642' ' ' VAL . . . . . . . . . . . . . 4.8 t -101.83 132.55 21.52 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.64 0.733 . . . . 73.31 111.137 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 128.51 16.11 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.652 2.235 . . . . 74.05 112.324 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -64.54 -23.04 67.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 73.12 110.933 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -59.29 -45.88 90.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 74.54 110.907 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 646' ' ' LEU . . . . . . . . . . . . . 28.5 mt -73.26 -53.09 11.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 70.23 110.881 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 647' ' ' LEU . . . . . . . . . . . . . 42.3 mt -53.22 -52.23 59.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.141 -0.481 . . . . 72.21 110.893 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 38.7 t0 -56.45 -40.86 75.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 64.23 110.944 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -67.37 -36.12 80.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.107 -0.497 . . . . 74.21 110.913 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 650' ' ' VAL . . . . . . . . . . . . . 25.1 t -64.89 -55.03 22.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 73.12 111.147 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 30.8 mt -62.79 -24.3 67.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 75.34 110.944 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -68.75 -52.66 28.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 73.41 111.017 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -76.22 -50.4 14.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 75.45 111.092 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 654' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -52.64 -31.32 36.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.435 . . . . 72.21 110.879 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -76.01 -46.86 27.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 73.11 111.056 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 93.8 t80 -64.86 -38.13 89.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 74.51 110.932 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 657' ' ' TRP . . . . . . . . . . . . . 19.5 m95 -70.11 -39.29 75.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.128 -0.487 . . . . 75.31 110.938 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 2.0 t -57.02 -50.62 72.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.2 -0.454 . . . . 74.21 110.885 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 659' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.15 -0.477 . . . . 73.44 110.946 -179.977 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 6.5 m . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.85 0.357 . . . . 75.13 110.898 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 582' ' ' VAL . . . . . . . . . . . . . 99.0 t -51.22 -38.52 19.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 75.23 111.103 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -69.55 -36.96 76.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.489 . . . . 71.23 111.096 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 584' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -71.42 -51.18 25.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.263 -0.426 . . . . 52.23 110.903 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 585' ' ' VAL . . . . . . . . . . . . . 70.3 t -53.96 -34.17 25.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 73.34 111.095 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -52.01 -38.05 55.47 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.165 -0.47 . . . . 74.33 110.852 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 587' ' ' ALA . . . . . . . . . . . . . . . -62.67 -32.4 73.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 75.41 111.151 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 588' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -71.52 -55.53 7.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 75.14 110.853 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 589' ' ' VAL . . . . . . . . . . . . . 5.7 p -63.31 -46.36 95.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 73.24 111.136 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 61.9 mt-10 -52.59 -48.14 66.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 75.43 110.882 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -67.42 -35.29 78.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 71.3 111.066 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 592' ' ' VAL . . . . . 0.407 ' O ' ' CA ' ' A' ' 596' ' ' GLY . 12.3 t -70.3 -27.42 31.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 73.14 111.122 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -75.02 -36.09 61.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 71.15 110.906 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -86.09 -48.7 8.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 65.03 110.875 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 595' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -80.39 -24.52 39.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 75.34 110.961 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 596' ' ' GLY . . . . . 0.407 ' CA ' ' O ' ' A' ' 592' ' ' VAL . . . 88.71 -162.27 31.46 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.722 -0.751 . . . . 61.12 112.48 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 13.8 p -107.23 26.71 9.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.85 0.357 . . . . 71.55 111.164 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 598' ' ' GLY . . . . . . . . . . . . . . . -131.04 0.05 5.23 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.841 -0.695 . . . . 61.14 112.542 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 599' ' ' ARG . . . . . . . . . . . . . 54.2 mtm-85 -125.43 80.31 1.88 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.859 0.361 . . . . 73.01 110.863 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 600' ' ' TRP . . . . . . . . . . . . . 9.4 m0 -67.89 -50.35 56.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 74.12 111.002 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 601' ' ' ARG . . . . . . . . . . . . . 30.3 mmm-85 -53.1 -48.43 67.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 75.52 110.871 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 602' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -61.53 -38.7 88.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 72.42 110.904 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 45.8 t -66.58 -31.53 53.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 72.11 111.134 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 32.0 tptt -64.75 -47.05 79.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 73.44 110.839 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 605' ' ' MET . . . . . . . . . . . . . 9.8 ptm -72.82 -31.52 64.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 74.43 110.867 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 606' ' ' ARG . . . . . . . . . . . . . 7.3 tpm_? -73.78 -40.9 63.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 70.03 110.886 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -90.01 -70.34 0.67 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 75.41 111.173 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 608' ' ' PHE . . . . . . . . . . . . . 43.5 m-85 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 73.1 110.792 -179.897 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 616' ' ' TYR . . . . . . . . . . . . . 17.4 p90 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.925 0.393 . . . . 71.53 110.916 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 617' ' ' VAL . . . . . . . . . . . . . 10.7 p -51.37 -33.3 14.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.094 -0.503 . . . . 73.22 111.173 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 618' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.2 -50.56 69.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.486 . . . . 72.35 110.837 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 619' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.26 -25.92 64.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 74.14 110.922 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 620' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.73 -43.39 72.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 74.25 110.836 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -71.71 -30.01 65.17 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.313 -0.403 . . . . 74.53 110.899 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.88 -45.27 86.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 75.12 110.836 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 623' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -67.11 -46.91 72.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.277 -0.419 . . . . 74.53 110.949 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 21.0 tttt -50.8 -49.93 57.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 73.22 110.872 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 13.8 t -71.29 -28.63 64.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 74.03 111.122 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 626' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.85 -55.8 28.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 75.22 110.932 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 627' ' ' VAL . . . . . . . . . . . . . 4.8 p -61.63 -42.04 92.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 63.3 111.079 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 628' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -62.15 -26.77 68.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 71.02 110.891 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 629' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -79.44 -28.85 41.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 71.34 111.144 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -52.67 -48.72 66.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 73.11 111.133 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 14.6 t 176.29 66.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 74.11 110.861 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 632' ' ' ILE . . . . . . . . . . . . . 2.7 mp -135.04 -72.68 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.083 -0.508 . . . . 73.23 111.103 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 633' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-O 121.528 0.68 . . . . 73.04 111.105 179.878 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.862 0.276 . . . . 73.14 112.371 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 642' ' ' VAL . . . . . . . . . . . . . 3.1 t -90.28 132.58 35.32 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.619 0.723 . . . . 60.21 111.124 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.87 128.86 16.53 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.67 2.247 . . . . 74.4 112.296 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 20.5 tt0 -68.82 -24.46 64.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 50.34 110.903 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -62.64 -47.7 82.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 75.51 110.873 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 646' ' ' LEU . . . . . . . . . . . . . 12.1 mt -71.0 -51.6 24.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 71.53 110.976 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 647' ' ' LEU . . . . . . . . . . . . . 96.5 mt -55.37 -37.1 67.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 75.43 110.942 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -61.93 -49.46 76.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 72.53 110.845 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 11.6 mmp_? -68.64 -31.76 71.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 60.44 110.866 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 650' ' ' VAL . . . . . . . . . . . . . 77.5 t -61.48 -48.83 87.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 74.33 111.15 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 7.9 mp -71.02 -26.58 63.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.104 -0.498 . . . . 54.53 110.846 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -68.72 -45.9 70.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 74.1 111.086 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -75.83 -45.98 32.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 63.4 111.068 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 654' ' ' HIS . . . . . . . . . . . . . 26.3 t-80 -53.82 -43.61 69.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.446 . . . . 62.32 110.841 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -77.43 -46.94 21.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 74.25 111.077 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 81.3 t80 -54.22 -49.73 68.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 72.55 110.984 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 657' ' ' TRP . . . . . . . . . . . . . 76.6 m95 -70.25 -32.36 70.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 73.13 110.976 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 30.5 t -69.34 -35.2 75.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 74.14 110.908 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 659' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 74.02 110.946 -179.991 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 561' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.161 0 CA-C-O 120.858 0.274 . . . . 73.35 112.326 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 562' ' ' VAL . . . . . . . . . . . . . 7.5 p -175.32 125.83 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 74.43 111.12 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 563' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -124.02 174.69 7.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 74.41 110.87 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -122.11 172.5 8.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 72.23 110.912 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 565' ' ' LYS . . . . . . . . . . . . . 16.9 mmtt -142.94 157.62 44.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 74.24 110.82 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 98.6 p -123.21 148.63 45.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 74.52 110.881 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 567' ' ' LYS . . . . . . . . . . . . . 47.1 mtpt -135.34 -177.88 4.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 72.22 110.936 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 18.8 mmt85 -93.99 153.08 18.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 73.21 110.884 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 2.5 t -117.12 151.84 35.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 72.05 110.85 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -81.89 168.07 18.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.483 . . . . 53.1 110.819 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 9.6 tp -127.92 -64.72 0.95 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.067 -0.515 . . . . 74.52 110.88 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 69.5 m -128.35 171.55 11.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.428 . . . . 70.22 110.857 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 573' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -174.5 145.03 0.92 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 64.21 110.938 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 574' ' ' ARG . . . . . . . . . . . . . 23.4 mmt180 -141.71 136.0 30.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 73.55 110.845 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 46.2 ttp180 -174.05 146.64 1.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 71.34 110.911 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 576' ' ' ILE . . . . . . . . . . . . . 6.4 tt -117.77 -34.38 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 74.25 111.128 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 17.2 mmm180 -97.15 -169.55 1.88 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 73.24 110.847 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 578' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -114.09 158.17 40.17 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.525 0.679 . . . . 73.51 110.849 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 156.92 62.08 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.716 2.277 . . . . 72.42 112.325 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 580' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -91.94 144.86 25.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 74.04 110.899 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 1.4 m -72.23 157.73 37.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 70.41 110.894 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 582' ' ' VAL . . . . . . . . . . . . . 15.2 m -51.49 -38.72 21.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 72.52 111.13 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -69.58 -38.23 77.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 75.13 111.127 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 584' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -71.31 -55.25 8.41 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.157 -0.474 . . . . 70.01 110.9 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 585' ' ' VAL . . . . . . . . . . . . . 2.9 p -60.23 -33.31 53.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.15 -0.477 . . . . 73.54 111.076 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -50.91 -30.46 14.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 74.31 110.845 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 587' ' ' ALA . . . . . . . . . . . . . . . -78.85 -37.46 40.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 65.3 111.075 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 588' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.54 -49.6 74.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 73.43 110.882 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 589' ' ' VAL . . . . . . . . . . . . . 25.4 t -69.37 -55.03 16.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 75.12 111.12 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 75.1 mt-10 -50.74 -43.0 57.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.223 -0.444 . . . . 74.35 110.896 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -68.33 -40.11 81.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.47 . . . . 65.2 111.124 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 592' ' ' VAL . . . . . . . . . . . . . 24.3 t -69.57 -26.78 31.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.259 -0.428 . . . . 73.34 111.127 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -73.91 -36.2 64.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 71.34 110.814 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 68.2 m80 -86.28 -47.61 9.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.188 -0.46 . . . . 72.21 110.855 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 595' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -80.07 -24.12 40.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.426 . . . . 75.45 110.908 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 596' ' ' GLY . . . . . . . . . . . . . . . 82.41 -175.31 53.57 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.717 -0.754 . . . . 72.55 112.461 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 7.2 p -93.57 24.91 3.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.815 0.34 . . . . 75.21 111.18 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 598' ' ' GLY . . . . . . . . . . . . . . . -122.91 -11.58 5.28 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.675 -0.774 . . . . 73.54 112.48 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 599' ' ' ARG . . . . . . . . . . . . . 39.4 mtt-85 -125.61 76.87 1.61 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.783 0.325 . . . . 74.2 110.892 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 600' ' ' TRP . . . . . . . . . . . . . 4.6 m0 -69.42 -42.8 74.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 73.53 110.889 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 601' ' ' ARG . . . . . . . . . . . . . 9.9 ptm180 -52.89 -44.04 66.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.284 -0.416 . . . . 70.14 110.898 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 602' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -67.57 -38.38 83.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 63.22 110.87 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 55.8 t -58.98 -38.88 76.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 71.13 111.197 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 28.7 tptt -72.06 -36.51 69.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 74.14 110.864 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 605' ' ' MET . . . . . . . . . . . . . 23.6 mtt -72.82 -34.86 67.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.274 -0.421 . . . . 75.41 110.925 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 606' ' ' ARG . . . . . . . . . . . . . 39.0 ttm-85 -81.09 -40.16 24.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.268 -0.423 . . . . 73.3 110.97 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -79.5 -67.13 0.79 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 73.4 111.074 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 608' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 -78.87 125.76 29.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.191 -0.459 . . . . 71.25 110.88 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -66.36 -33.85 76.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 73.22 110.842 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 28.0 p30 -101.59 66.81 1.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 73.55 110.896 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 611' ' ' ALA . . . . . . . . . . . . . . . -110.32 30.34 6.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 75.55 111.078 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -52.75 -67.56 0.24 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.224 -0.444 . . . . 72.25 110.887 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 613' ' ' HIS . . . . . . . . . . . . . 70.9 m-70 -121.27 25.17 9.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 71.24 110.911 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 614' ' ' ARG . . . . . . . . . . . . . 9.4 mmp_? -72.47 156.4 39.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 75.05 110.881 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 615' ' ' THR . . . . . . . . . . . . . 9.2 t -74.41 166.13 24.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 75.32 111.109 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 616' ' ' TYR . . . . . . . . . . . . . 22.5 p90 -107.48 -17.84 14.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 73.42 110.881 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 617' ' ' VAL . . . . . . . . . . . . . 11.1 p -70.18 -33.68 55.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 71.22 111.145 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 618' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.98 -50.59 60.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 75.35 110.903 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 619' ' ' LEU . . . . . . . . . . . . . 1.1 pp -69.95 -25.77 63.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 74.02 110.95 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 620' ' ' LYS . . . . . . . . . . . . . 37.9 tptt -70.24 -37.0 74.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 74.41 110.934 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -71.71 -44.3 64.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 63.11 110.83 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.14 -39.6 82.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 75.1 110.941 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 623' ' ' TRP . . . . . . . . . . . . . 15.3 t-105 -69.86 -46.27 65.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 75.52 110.93 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.65 -48.5 49.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.265 -0.425 . . . . 72.11 110.901 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 11.2 t -72.58 -28.2 62.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.25 -0.432 . . . . 74.33 111.19 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 626' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.86 -55.58 21.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 65.25 110.887 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 627' ' ' VAL . . . . . . . . . . . . . 4.7 p -59.28 -44.97 93.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 74.21 111.165 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 628' ' ' HIS . . . . . . . . . . . . . 10.5 m170 -60.5 -27.36 67.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 73.43 110.799 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 629' ' ' THR . . . . . . . . . . . . . 10.7 m -76.06 -29.43 58.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 75.31 111.107 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -53.13 -49.29 66.85 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.253 -0.43 . . . . 74.23 111.143 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 170.28 68.79 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 70.42 110.831 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 632' ' ' ILE . . . . . . . . . . . . . 2.5 mp -130.57 -75.84 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 73.55 111.116 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 633' ' ' ALA . . . . . . . . . . . . . . . -103.79 135.22 19.39 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.561 0.696 . . . . 74.22 111.152 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 634' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -40.04 5.91 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.712 2.274 . . . . 75.12 112.357 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 635' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -77.79 -13.34 59.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 72.41 110.919 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -80.49 -0.97 39.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 63.31 110.911 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 637' ' ' ARG . . . . . . . . . . . . . 13.7 ptt180 -61.85 114.69 3.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.46 . . . . 74.23 110.845 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 638' ' ' ARG . . . . . . . . . . . . . 4.9 mtm180 -64.92 -14.66 60.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 73.2 110.926 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 639' ' ' GLY . . . . . . . . . . . . . . . 82.94 -54.6 4.98 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.727 -0.749 . . . . 53.1 112.458 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 640' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -52.31 154.4 4.3 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.7 0.762 . . . . 74.31 110.873 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 121.83 8.52 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.665 2.243 . . . . 74.2 112.374 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 642' ' ' VAL . . . . . . . . . . . . . 13.6 m -121.01 140.11 30.38 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.618 0.723 . . . . 71.32 111.081 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 128.88 16.7 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.617 2.211 . . . . 60.45 112.389 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -63.19 -16.83 61.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 74.43 110.897 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -70.23 -39.19 75.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.247 -0.433 . . . . 61.24 110.865 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 646' ' ' LEU . . . . . . . . . . . . . 53.4 mt -75.19 -52.17 11.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 73.45 110.892 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 647' ' ' LEU . . . . . . . . . . . . . 47.3 mt -51.54 -34.54 36.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 73.2 110.969 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.96 -46.71 56.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 62.34 110.83 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 36.7 mmt-85 -65.27 -35.66 81.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 74.5 110.884 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 650' ' ' VAL . . . . . . . . . . . . . 97.0 t -64.07 -51.88 63.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 72.21 111.116 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 12.7 mt -61.69 -26.54 68.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 73.52 110.887 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -66.17 -49.32 67.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 61.04 111.153 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -74.12 -43.81 56.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 73.53 111.152 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 654' ' ' HIS . . . . . . . . . . . . . 26.8 t-80 -57.52 -42.91 83.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 72.34 110.84 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -76.94 -46.82 22.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 75.45 111.101 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -56.48 -49.61 74.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.275 -0.42 . . . . 75.32 110.963 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 657' ' ' TRP . . . . . . . . . . . . . 72.1 m95 -70.58 -30.34 67.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.115 -0.493 . . . . 75.54 110.968 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 9.0 t -59.61 -36.41 76.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.224 -0.444 . . . . 75.32 110.86 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 659' ' ' GLN . . . . . . . . . . . . . 42.7 tt0 -56.99 -25.93 59.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 72.14 110.977 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -69.13 -38.96 79.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 72.33 110.92 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 23.8 mm-40 -100.4 -74.49 0.6 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.434 . . . . 71.32 110.974 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 662' ' ' GLY . . . . . . . . . . . . . . . -100.69 -151.88 25.65 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.762 -0.733 . . . . 73.2 112.538 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 31.2 tttp -166.41 119.89 1.08 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.709 0.29 . . . . 72.54 110.963 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 42.0 mm-40 -136.35 -52.0 0.71 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 75.11 110.913 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 665' ' ' HIS . . . . . . . . . . . . . 4.7 t-80 -174.81 102.76 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 73.33 110.843 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 666' ' ' VAL . . . . . . . . . . . . . 28.5 m -109.13 176.3 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 74.3 111.162 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -130.72 160.54 65.93 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.636 0.731 . . . . 75.3 110.879 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 668' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 84.69 0.65 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.623 2.215 . . . . 74.43 112.337 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 669' ' ' LEU . . . . . . . . . . . . . 5.7 tp -161.53 158.01 25.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 72.03 110.85 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 670' ' ' LYS . . . . . . . . . . . . . 32.7 mtmm -146.42 159.69 43.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 70.2 110.949 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 671' ' ' ILE . . . . . . . . . . . . . 13.9 pt -148.91 -177.36 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 73.12 111.132 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -150.6 176.86 10.59 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.183 -0.462 . . . . 64.44 110.926 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 673' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -150.8 165.82 32.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 72.11 110.904 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -174.3 148.18 1.25 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 75.52 111.083 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 13.5 ptmt -109.54 173.98 6.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.469 . . . . 75.42 110.85 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . -124.4 -175.24 3.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 60.14 111.097 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 46.1 tp60 -140.54 126.56 19.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 72.54 110.921 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 678' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.29 106.71 7.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 71.4 110.871 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 679' ' ' VAL . . . . . . . . . . . . . 7.5 p -107.71 137.19 40.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 72.52 111.171 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 680' ' ' GLY . . . . . . . . . . . . . . . -107.83 -125.36 5.29 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.84 -0.695 . . . . 74.52 112.437 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 681' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-O 120.72 0.295 . . . . 64.23 111.035 -179.951 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 561' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 N--CA 1.465 -0.17 0 CA-C-O 120.864 0.277 . . . . 61.34 112.341 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 562' ' ' VAL . . . . . . . . . . . . . 7.3 p -173.13 124.88 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.167 -0.469 . . . . 73.34 111.061 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 563' ' ' ASN . . . . . . . . . . . . . 9.3 p-10 -170.57 143.05 2.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 75.53 110.864 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 4.5 pp0? -123.2 173.76 7.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.161 -0.472 . . . . 73.32 110.905 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 565' ' ' LYS . . . . . . . . . . . . . 51.5 mmtt -150.03 147.74 28.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 74.44 110.868 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 68.0 m -127.1 147.87 50.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 72.31 110.86 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 567' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.67 130.11 13.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.5 . . . . 75.34 110.851 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 27.5 ptt180 -174.02 140.94 0.74 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 71.52 110.883 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 2.8 m -116.6 127.46 54.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.484 . . . . 71.25 110.878 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -152.77 -176.78 5.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.11 -0.495 . . . . 74.12 110.873 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 7.0 tp 62.97 34.32 14.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 74.13 110.964 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 7.2 m -137.11 91.78 2.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 62.4 110.895 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 573' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.72 125.53 23.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.157 -0.474 . . . . 74.5 110.883 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 574' ' ' ARG . . . . . . . . . . . . . 12.1 ttt180 -178.6 -177.43 0.53 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 75.53 110.868 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 90.4 mtt180 -77.61 60.4 2.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 75.31 110.874 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 576' ' ' ILE . . . . . . . . . . . . . 4.8 tt -112.51 151.28 14.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.158 -0.474 . . . . 75.44 111.176 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 5.5 tpp85 -51.93 161.06 0.62 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 74.43 110.868 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 578' ' ' ARG . . . . . . . . . . . . . 2.8 ptt180 -113.51 157.45 41.32 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.665 0.745 . . . . 72.14 110.86 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 93.86 0.52 Allowed 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 122.692 2.261 . . . . 74.13 112.383 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 580' ' ' PHE . . . . . . . . . . . . . 8.7 p90 -92.68 139.6 30.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.43 . . . . 75.45 110.903 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 9.3 m -109.51 -179.51 3.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.125 -0.489 . . . . 71.23 110.839 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 582' ' ' VAL . . . . . . . . . . . . . 92.2 t -54.46 -38.14 40.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 75.2 111.167 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -69.31 -47.57 64.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 73.33 111.102 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 584' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -63.2 -54.8 31.83 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.242 -0.436 . . . . 72.22 110.893 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 585' ' ' VAL . . . . . . . . . . . . . 59.7 t -57.53 -34.31 46.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 75.0 111.084 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -59.96 -42.39 93.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 74.22 110.878 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 587' ' ' ALA . . . . . . . . . . . . . . . -69.05 -33.93 74.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 54.23 111.169 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 588' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.42 -55.13 12.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 73.24 110.948 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 589' ' ' VAL . . . . . 0.409 ' HA ' HG11 ' A' ' 592' ' ' VAL . 4.7 p -62.33 -47.63 92.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 75.11 111.124 179.789 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -59.18 -29.07 67.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 73.33 110.831 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -74.44 -43.53 55.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 63.24 111.03 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 592' ' ' VAL . . . . . 0.409 HG11 ' HA ' ' A' ' 589' ' ' VAL . 7.3 p -76.28 -25.92 16.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.279 -0.419 . . . . 72.53 111.181 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -73.02 -41.64 64.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.131 -0.486 . . . . 73.11 110.875 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 14.4 t60 -84.36 -46.86 11.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 72.34 110.869 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 595' ' ' LEU . . . . . . . . . . . . . 12.5 mt -79.74 -17.57 53.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 74.54 110.869 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 596' ' ' GLY . . . . . . . . . . . . . . . 85.12 164.61 38.93 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.797 -0.716 . . . . 74.33 112.49 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -74.47 -5.73 44.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.839 0.352 . . . . 65.02 111.119 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 598' ' ' GLY . . . . . . . . . . . . . . . -101.34 20.1 48.39 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.782 -0.723 . . . . 71.21 112.476 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 599' ' ' ARG . . . . . . . . . . . . . 8.0 mtp180 -139.75 64.05 1.47 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.824 0.345 . . . . 73.45 110.885 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 600' ' ' TRP . . . . . . . . . . . . . 16.5 m0 -60.72 -50.26 74.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 73.13 110.876 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 601' ' ' ARG . . . . . . . . . . . . . 25.8 mmm-85 -53.08 -43.28 66.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 75.44 110.873 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 602' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -67.83 -31.05 70.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 73.21 110.943 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 70.5 t -66.47 -34.64 71.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 75.25 111.148 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 16.4 tptp -71.97 -44.64 63.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 73.42 110.87 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 605' ' ' MET . . . . . . . . . . . . . 23.0 mmm -72.92 -31.54 64.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.214 -0.448 . . . . 74.31 110.845 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 606' ' ' ARG . . . . . . . . . . . . . 7.3 ttm-85 -77.71 -40.64 40.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 75.34 110.833 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -86.92 -70.84 0.59 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 74.4 111.068 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 608' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -71.32 127.39 32.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 75.42 110.882 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -70.66 -33.97 71.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.067 -0.515 . . . . 71.45 110.892 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 53.1 t-20 -102.44 73.89 1.35 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 74.03 110.884 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 611' ' ' ALA . . . . . . . . . . . . . . . -121.35 59.98 0.95 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 70.34 111.091 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -89.07 -72.53 0.54 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 50.31 110.801 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 613' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -111.36 27.61 9.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.267 -0.424 . . . . 74.44 110.84 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 614' ' ' ARG . . . . . . . . . . . . . 18.1 tpt180 -89.8 156.28 18.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 74.42 110.858 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 615' ' ' THR . . . . . . . . . . . . . 4.6 t -74.35 160.31 31.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 70.33 111.104 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 616' ' ' TYR . . . . . . . . . . . . . 15.8 p90 -100.17 0.47 40.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 75.32 110.912 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 617' ' ' VAL . . . . . . . . . . . . . 12.0 p -71.75 -33.6 49.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 75.33 111.096 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 618' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.69 -50.66 71.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.271 -0.422 . . . . 73.03 110.877 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 619' ' ' LEU . . . . . . . . . . . . . 1.1 pp -66.89 -28.22 68.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 74.13 110.993 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 620' ' ' LYS . . . . . . . . . . . . . 39.3 mtpt -68.06 -35.08 77.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 75.21 110.922 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -71.6 -49.8 36.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 73.24 110.871 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 18.3 mtmt -55.03 -41.76 71.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 75.41 110.876 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 623' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -68.65 -49.61 57.75 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.244 -0.435 . . . . 73.32 110.933 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -52.26 -53.81 39.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.264 -0.426 . . . . 75.14 110.88 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 14.8 t -62.04 -29.23 70.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 74.24 111.154 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 626' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.92 -53.96 45.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 72.25 110.928 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 627' ' ' VAL . . . . . . . . . . . . . 55.0 t -59.08 -54.62 31.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 71.22 111.154 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 628' ' ' HIS . . . . . 0.435 ' HA ' ' HB ' ' A' ' 632' ' ' ILE . 0.3 OUTLIER -53.09 -29.03 28.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 75.34 110.886 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 629' ' ' THR . . . . . . . . . . . . . 24.1 m -74.62 -30.06 61.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 73.41 111.186 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -54.04 -50.13 67.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 74.1 111.019 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 11.5 t 173.2 69.06 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 71.23 110.915 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 632' ' ' ILE . . . . . 0.435 ' HB ' ' HA ' ' A' ' 628' ' ' HIS . 2.6 mp -129.73 -75.95 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 74.41 111.084 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 633' ' ' ALA . . . . . . . . . . . . . . . -103.58 142.53 24.77 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.557 0.694 . . . . 75.21 111.117 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 634' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -45.63 1.51 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.67 2.247 . . . . 54.5 112.353 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 635' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -72.27 -13.33 61.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 74.24 110.905 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 66.4 mm-40 -80.38 -1.64 42.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.447 . . . . 64.11 110.928 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 637' ' ' ARG . . . . . . . . . . . . . 3.7 tpt180 -84.32 114.24 21.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 74.44 110.905 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 638' ' ' ARG . . . . . . . . . . . . . 6.5 tpm_? -75.92 145.25 40.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 71.4 110.855 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 639' ' ' GLY . . . . . . . . . . . . . . . -51.3 -52.32 32.73 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.77 -0.728 . . . . 75.2 112.508 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 640' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -53.02 137.04 47.33 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.611 0.719 . . . . 74.3 110.904 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 122.05 8.72 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.716 2.277 . . . . 73.51 112.243 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 642' ' ' VAL . . . . . . . . . . . . . 19.8 m -100.34 139.67 20.85 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-O 121.625 0.726 . . . . 65.23 111.138 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.91 129.47 17.49 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.617 2.212 . . . . 73.44 112.322 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 11.9 tm0? -61.43 -18.39 58.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.469 . . . . 74.05 110.932 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -65.45 -40.65 93.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 74.22 110.913 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 646' ' ' LEU . . . . . . . . . . . . . 62.5 mt -75.37 -53.08 9.32 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.192 -0.458 . . . . 73.14 110.892 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 647' ' ' LEU . . . . . . . . . . . . . 52.2 mt -53.32 -42.85 67.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 70.15 110.912 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -72.56 -30.21 64.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 73.35 110.853 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 3.1 mmt-85 -71.39 -48.77 47.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 65.35 110.847 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 650' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -62.42 -33.2 58.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 65.11 111.142 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 1.1 mp -71.38 -36.28 71.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 72.01 110.941 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -62.4 -46.1 90.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 71.41 111.167 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -75.61 -48.98 19.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 73.23 111.083 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 654' ' ' HIS . . . . . . . . . . . . . 37.6 t-80 -53.31 -41.09 65.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 73.23 110.906 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -77.2 -46.85 21.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 73.22 111.07 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 76.3 t80 -55.26 -49.56 71.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 74.2 110.976 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 657' ' ' TRP . . . . . . . . . . . . . 60.8 m95 -70.44 -36.35 73.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.491 . . . . 75.13 110.961 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 1.8 t -53.86 -34.94 60.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 71.4 110.867 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 659' ' ' GLN . . . . . . . . . . . . . 36.5 mm-40 -57.02 -23.98 50.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.089 -0.505 . . . . 74.42 110.955 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 42.8 tt0 -110.06 -61.54 1.64 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.113 -0.494 . . . . 75.03 110.923 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 24.8 mm-40 -81.52 -176.9 6.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 71.43 110.926 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 662' ' ' GLY . . . . . . . . . . . . . . . -142.7 173.83 23.79 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.714 -0.755 . . . . 75.52 112.475 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 57.2 tptt -176.33 138.45 0.32 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.662 0.268 . . . . 72.32 110.903 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -67.33 115.85 7.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.29 -0.414 . . . . 74.3 110.867 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 665' ' ' HIS . . . . . . . . . . . . . 1.5 p80 -179.28 160.75 1.04 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 74.24 110.846 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 666' ' ' VAL . . . . . . . . . . . . . 4.5 p -115.11 118.0 57.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 75.25 111.124 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -136.04 160.6 66.61 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.611 0.72 . . . . 71.52 110.887 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 668' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -174.51 0.93 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.638 2.225 . . . . 71.41 112.302 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 669' ' ' LEU . . . . . . . . . . . . . 3.9 pp -106.59 129.02 54.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 72.53 110.94 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 670' ' ' LYS . . . . . . . . . . . . . 39.0 tttt -169.63 128.22 0.95 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 74.53 110.906 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 671' ' ' ILE . . . . . . . . . . . . . 10.6 tp -175.26 135.53 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 74.14 111.18 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 9.3 tp -128.4 115.11 17.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 74.24 110.939 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 673' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -152.19 148.65 27.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 74.25 110.817 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -137.37 152.91 50.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 74.11 111.051 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.15 120.08 19.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 74.54 110.906 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . -115.24 158.41 22.35 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.195 -0.457 . . . . 71.31 111.116 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 47.2 tt0 -172.42 129.45 0.56 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.275 -0.42 . . . . 72.54 110.858 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 678' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.59 104.06 16.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 74.02 110.964 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 679' ' ' VAL . . . . . . . . . . . . . 42.8 t -92.12 110.89 23.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.215 -0.448 . . . . 72.31 111.1 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 680' ' ' GLY . . . . . . . . . . . . . . . -110.09 -170.81 20.0 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.772 -0.728 . . . . 70.25 112.488 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 681' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-O 120.757 0.313 . . . . 75.24 111.138 179.992 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 561' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--O 1.231 0.142 0 CA-C-O 120.804 0.252 . . . . 72.4 112.338 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 562' ' ' VAL . . . . . . . . . . . . . 7.6 p -175.93 126.16 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 74.21 111.057 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 563' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -170.12 158.74 7.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 72.24 110.897 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.69 166.35 22.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 71.01 110.841 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 565' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -142.87 137.71 29.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 74.42 110.937 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 1.8 m -126.79 148.52 49.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 72.43 110.896 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 567' ' ' LYS . . . . . . . . . . . . . 7.6 tptm -146.52 132.62 19.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 74.02 110.873 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 24.5 mtp180 -156.8 114.06 3.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 72.01 110.901 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 38.6 p -91.72 125.77 36.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 72.43 110.886 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 20.0 mp0 -154.45 134.63 13.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 72.54 110.89 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -164.74 178.85 6.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 73.15 110.886 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -141.49 -169.84 2.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 74.03 110.835 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 573' ' ' GLN . . . . . . . . . . . . . 26.2 mp0 -143.25 148.89 37.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.1 -0.5 . . . . 74.52 110.872 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 574' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -143.4 179.1 7.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 75.42 110.841 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 74.1 mtt180 -124.49 92.84 3.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 71.35 110.862 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 576' ' ' ILE . . . . . . . . . . . . . 7.9 pt -151.49 142.48 16.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 74.44 111.147 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 58.6 mtm180 -155.77 121.45 4.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 73.1 110.914 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 578' ' ' ARG . . . . . . . . . . . . . 10.1 tpp180 -120.27 134.75 24.13 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.602 0.715 . . . . 73.31 110.883 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 75.28 1.22 Allowed 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 122.701 2.268 . . . . 71.51 112.363 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 580' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -92.63 137.75 32.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 62.34 110.864 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 20.3 m -76.73 158.27 31.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 74.52 110.888 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 582' ' ' VAL . . . . . . . . . . . . . 97.9 t -51.77 -29.62 10.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 75.33 111.167 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -69.15 -45.29 70.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 75.23 111.107 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 584' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -68.22 -53.91 21.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 62.24 110.828 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 585' ' ' VAL . . . . . . . . . . . . . 38.4 t -54.31 -34.45 27.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.477 . . . . 64.41 111.134 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -62.0 -51.69 67.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 70.2 110.894 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 587' ' ' ALA . . . . . . . . . . . . . . . -65.13 -40.89 95.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 73.12 111.146 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 588' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.32 -54.24 49.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 75.42 110.913 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 589' ' ' VAL . . . . . . . . . . . . . 58.3 t -65.92 -54.32 28.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.137 -0.483 . . . . 65.11 111.101 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -50.61 -47.38 58.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.133 -0.485 . . . . 73.53 110.905 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -66.12 -38.04 87.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.088 -0.505 . . . . 64.01 111.116 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 592' ' ' VAL . . . . . . . . . . . . . 13.0 t -69.56 -26.99 32.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 74.03 111.123 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.7 -36.53 65.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.451 . . . . 75.32 110.953 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -85.63 -47.53 9.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 75.32 110.885 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 595' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -79.84 -24.25 41.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.208 -0.451 . . . . 75.43 110.931 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 596' ' ' GLY . . . . . . . . . . . . . . . 83.05 -174.48 52.67 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.699 -0.762 . . . . 52.03 112.502 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 1.9 p -93.64 23.4 4.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.837 0.351 . . . . 73.22 111.131 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 598' ' ' GLY . . . . . . . . . . . . . . . -122.11 -13.67 4.83 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.736 -0.745 . . . . 74.55 112.474 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 599' ' ' ARG . . . . . . . . . . . . . 18.4 mtt180 -119.75 78.13 1.3 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.84 0.352 . . . . 73.41 110.882 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 600' ' ' TRP . . . . . . . . . . . . . 2.7 m0 -68.71 -50.16 53.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 72.02 110.911 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 601' ' ' ARG . . . . . . . . . . . . . 90.9 mtt180 -52.86 -40.98 63.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 72.01 110.868 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 602' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -68.07 -30.41 69.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 63.22 110.872 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 52.6 t -72.8 -32.54 40.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 74.11 111.143 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 6.2 ttpm? -71.4 -41.96 68.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 75.41 110.875 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 605' ' ' MET . . . . . . . . . . . . . 19.9 ptp -72.87 -31.57 64.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 73.1 110.908 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 606' ' ' ARG . . . . . . . . . . . . . 2.9 ttt85 -80.63 -40.63 25.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 71.4 110.857 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -80.25 -68.95 0.63 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 75.02 111.107 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 608' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 -72.08 124.71 25.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 74.01 110.81 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -72.37 -34.18 67.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 54.14 110.865 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 37.7 m-20 -115.62 81.62 1.62 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 64.13 110.865 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 611' ' ' ALA . . . . . . . . . . . . . . . -141.81 76.74 1.55 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 72.1 111.113 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -97.63 -63.97 1.08 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.286 -0.415 . . . . 71.13 110.876 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 613' ' ' HIS . . . . . . . . . . . . . 15.4 m-70 -95.83 27.06 3.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 73.54 110.83 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 614' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.47 156.06 16.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 75.14 110.886 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 615' ' ' THR . . . . . . . . . . . . . 15.3 t -74.27 161.52 29.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 71.12 111.15 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 616' ' ' TYR . . . . . . . . . . . . . 24.6 p90 -105.07 -14.0 15.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.465 . . . . 73.05 110.924 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 617' ' ' VAL . . . . . . . . . . . . . 10.1 p -71.45 -33.62 50.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.097 -0.502 . . . . 74.44 111.111 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 618' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -51.5 -50.74 59.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 70.02 110.924 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 619' ' ' LEU . . . . . . . . . . . . . 1.2 pp -60.58 -26.13 66.73 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.207 -0.451 . . . . 75.34 110.842 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 620' ' ' LYS . . . . . . . . . . . . . 9.6 ttmt -71.0 -34.22 71.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 73.11 110.93 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -71.23 -41.02 70.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 72.34 110.867 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 9.6 mmtt -66.4 -33.64 76.16 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.232 -0.44 . . . . 75.13 110.858 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 623' ' ' TRP . . . . . . . . . . . . . 1.1 t90 -69.18 -52.1 31.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.22 -0.446 . . . . 74.3 110.976 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.75 -54.94 19.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.284 -0.416 . . . . 74.21 110.903 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 7.2 t -59.86 -32.22 70.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.273 -0.421 . . . . 72.34 111.176 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 626' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.74 -53.67 54.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 75.03 110.935 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 627' ' ' VAL . . . . . . . . . . . . . 76.4 t -54.43 -52.13 42.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 75.3 111.101 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 628' ' ' HIS . . . . . 0.412 ' HA ' ' HB ' ' A' ' 632' ' ' ILE . 1.6 m-70 -52.35 -34.66 48.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 75.4 110.851 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 629' ' ' THR . . . . . . . . . . . . . 19.7 m -71.06 -29.43 65.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 64.24 111.145 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -54.4 -49.94 68.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.249 -0.432 . . . . 75.13 111.085 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 11.6 t 173.61 68.76 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.216 -0.447 . . . . 72.41 110.888 -179.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 632' ' ' ILE . . . . . 0.412 ' HB ' ' HA ' ' A' ' 628' ' ' HIS . 2.2 mp -128.52 -74.33 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 75.44 111.123 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 633' ' ' ALA . . . . . . . . . . . . . . . -103.27 136.34 19.24 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.577 0.703 . . . . 72.4 111.106 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 634' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -36.35 11.07 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.79 2.327 . . . . 74.13 112.316 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 635' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -77.02 -13.19 59.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.25 -0.432 . . . . 75.31 110.92 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 10.3 mm100 -80.15 -28.63 38.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 74.21 110.948 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 637' ' ' ARG . . . . . . . . . . . . . 73.2 ttt-85 -84.43 113.39 21.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 72.42 110.883 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 638' ' ' ARG . . . . . . . . . . . . . 24.8 tpt85 -174.9 157.99 2.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 75.23 110.901 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 639' ' ' GLY . . . . . . . . . . . . . . . 97.76 -157.56 20.73 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.752 -0.737 . . . . 72.42 112.453 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 640' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -51.52 160.69 0.95 Allowed Pre-proline 0 C--N 1.33 -0.242 0 CA-C-O 121.678 0.751 . . . . 74.13 110.838 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 122.12 8.81 Favored 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.646 2.231 . . . . 72.12 112.306 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 642' ' ' VAL . . . . . . . . . . . . . 4.4 p -91.98 134.41 28.81 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.587 0.708 . . . . 75.25 111.177 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.8 128.87 16.61 Favored 'Trans proline' 0 C--N 1.34 0.131 0 C-N-CA 122.739 2.293 . . . . 73.5 112.332 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -67.36 -20.63 65.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 74.13 110.915 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -65.38 -42.82 92.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 71.13 110.921 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 646' ' ' LEU . . . . . . . . . . . . . 26.9 mt -75.39 -40.17 58.24 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.187 -0.461 . . . . 75.34 110.903 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 647' ' ' LEU . . . . . . . . . . . . . 50.6 mt -68.07 -37.95 81.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 74.32 110.935 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 39.5 t0 -73.07 -30.69 63.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.187 -0.461 . . . . 75.22 110.897 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 11.0 mmp_? -74.96 -49.19 20.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.168 -0.469 . . . . 74.43 110.875 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 650' ' ' VAL . . . . . . . . . . . . . 1.4 p -60.34 -33.13 52.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 75.22 111.1 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 15.4 mt -70.98 -43.06 68.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.455 . . . . 75.42 110.853 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -61.63 -42.14 98.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 41.41 111.118 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -75.81 -45.54 35.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 71.23 111.106 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 654' ' ' HIS . . . . . . . . . . . . . 46.3 t60 -54.7 -47.83 73.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 75.24 110.863 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -67.1 -46.68 73.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 73.34 111.05 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -56.87 -49.51 75.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 74.21 110.87 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 657' ' ' TRP . . . . . . . . . . . . . 61.6 m95 -70.39 -38.16 74.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 72.32 110.939 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 2.9 m -53.81 -33.48 56.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.267 -0.424 . . . . 53.44 110.845 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 659' ' ' GLN . . . . . . . . . . . . . 43.0 mm-40 -57.02 -23.44 46.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 72.44 110.87 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 10.7 mp0 -93.67 -65.77 0.97 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 74.15 110.838 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -175.63 176.24 1.94 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 64.11 110.955 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 662' ' ' GLY . . . . . . . . . . . . . . . -150.25 -167.62 14.54 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.689 -0.767 . . . . 74.2 112.453 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 44.6 mttm -153.79 -176.61 5.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.736 0.303 . . . . 74.24 110.909 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 23.6 tm0? -161.26 158.22 26.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.456 . . . . 75.43 110.896 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 665' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -172.84 166.29 5.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 74.41 110.866 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 666' ' ' VAL . . . . . . . . . . . . . 26.2 m -86.32 175.8 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 73.35 111.139 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -135.73 157.31 76.42 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.583 0.706 . . . . 74.14 110.891 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 668' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -171.14 0.44 Allowed 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.667 2.245 . . . . 70.1 112.334 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 669' ' ' LEU . . . . . . . . . . . . . 4.2 pp -113.38 -175.4 2.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 75.44 110.971 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 670' ' ' LYS . . . . . . . . . . . . . 11.5 tptp -170.08 155.38 5.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.227 -0.442 . . . . 72.43 110.867 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 671' ' ' ILE . . . . . . . . . . . . . 55.0 mt -142.58 147.22 21.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 75.41 111.172 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 3.4 tp -156.15 161.06 40.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.223 -0.444 . . . . 75.34 110.92 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 673' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -164.18 160.31 21.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 62.43 110.953 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -175.91 -176.22 0.81 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 65.43 111.021 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 8.1 ptpp? -153.7 -174.01 4.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 70.34 110.93 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . -147.65 -175.72 4.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.462 . . . . 64.35 111.127 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -168.67 146.13 3.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 61.52 110.885 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 678' ' ' LYS . . . . . . . . . . . . . 1.2 tmmm? -121.37 131.85 54.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 72.42 110.891 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 679' ' ' VAL . . . . . . . . . . . . . 41.0 t -124.25 147.67 28.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 74.45 111.185 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 680' ' ' GLY . . . . . . . . . . . . . . . -136.32 -175.74 13.98 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.707 -0.758 . . . . 43.43 112.504 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 681' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-O 120.758 0.314 . . . . 75.41 111.072 -179.968 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 561' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 562' ' ' VAL . 53.9 Cg_endo . . . . . 0 N--CA 1.465 -0.161 0 CA-C-O 120.827 0.261 . . . . 71.42 112.358 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 562' ' ' VAL . . . . . 0.4 ' C ' ' O ' ' A' ' 561' ' ' PRO . 27.1 m 37.01 44.18 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.243 -0.435 . . . . 63.44 111.105 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 563' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -149.01 120.2 7.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 73.0 110.863 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -92.42 -177.85 4.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 72.32 110.899 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 565' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.37 162.35 20.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 73.33 110.892 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 10.8 m -118.27 107.42 13.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.457 . . . . 60.24 110.875 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 567' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.8 67.18 1.51 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.097 -0.501 . . . . 75.33 110.927 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 16.0 mmp_? -76.96 153.29 34.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.261 -0.427 . . . . 74.03 110.878 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 42.2 p -86.23 146.62 26.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 55.22 110.875 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -113.12 152.99 28.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 72.51 110.861 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 9.6 mp -95.01 129.09 42.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 70.52 110.902 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 10.5 p -75.06 143.8 43.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 71.02 110.845 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 573' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -78.36 113.45 16.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 75.43 110.929 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 574' ' ' ARG . . . . . . . . . . . . . 34.8 ptt180 -100.54 139.24 36.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 63.43 110.876 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 11.3 mpt_? -54.58 173.54 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 61.41 110.892 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 576' ' ' ILE . . . . . . . . . . . . . 6.2 tp -51.86 126.59 7.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 64.31 111.114 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 28.6 tpt180 -82.06 -71.31 0.49 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 73.11 110.841 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 578' ' ' ARG . . . . . . . . . . . . . 61.8 mtt180 -118.8 160.25 41.18 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.614 0.721 . . . . 74.4 110.9 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 146.82 61.05 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.698 2.265 . . . . 74.31 112.329 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 580' ' ' PHE . . . . . . . . . . . . . 7.5 p90 -64.14 144.86 56.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 74.15 110.831 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 3.0 m -96.48 179.25 5.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.163 -0.471 . . . . 63.12 110.835 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 582' ' ' VAL . . . . . . . . . . . . . 15.6 m -52.69 -40.88 36.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.086 -0.506 . . . . 73.13 111.179 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -69.95 -33.93 72.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 60.25 111.079 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 584' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -74.41 -38.18 63.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 71.02 110.868 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 585' ' ' VAL . . . . . . . . . . . . . 81.6 t -53.65 -33.17 22.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.114 -0.493 . . . . 75.32 111.178 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -51.14 -31.43 19.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.108 -0.496 . . . . 74.21 110.875 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 587' ' ' ALA . . . . . . . . . . . . . . . -61.07 -43.41 98.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 74.0 111.099 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 588' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.5 -44.08 88.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 70.33 110.973 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 589' ' ' VAL . . . . . 0.409 ' HA ' HG12 ' A' ' 592' ' ' VAL . 60.7 t -66.75 -56.09 15.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 74.21 111.15 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -54.94 -33.07 61.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 75.24 110.91 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -69.8 -46.61 65.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 74.42 111.026 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 592' ' ' VAL . . . . . 0.409 HG12 ' HA ' ' A' ' 589' ' ' VAL . 13.0 p -74.58 -25.72 19.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 74.21 111.155 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -72.89 -41.23 64.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.099 -0.501 . . . . 74.35 110.847 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -84.28 -46.49 11.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 71.43 110.871 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 595' ' ' LEU . . . . . . . . . . . . . 11.4 mt -79.56 -16.93 55.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 73.34 110.927 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 596' ' ' GLY . . . . . . . . . . . . . . . 88.7 174.12 46.98 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.771 -0.728 . . . . 72.14 112.531 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 3.8 p -90.85 29.5 1.34 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.834 0.35 . . . . 71.42 111.17 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 598' ' ' GLY . . . . . . . . . . . . . . . -133.75 2.78 4.52 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.731 -0.747 . . . . 54.41 112.482 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 599' ' ' ARG . . . . . . . . . . . . . 56.3 mtt85 -122.18 74.5 1.16 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.804 0.335 . . . . 74.32 110.923 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 600' ' ' TRP . . . . . . . . . . . . . 26.9 m0 -62.33 -50.1 72.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 75.21 110.911 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 601' ' ' ARG . . . . . . . . . . . . . 33.4 mtt85 -52.71 -48.72 66.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 74.04 110.811 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 602' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -63.08 -35.98 82.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.266 -0.425 . . . . 71.51 110.888 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 50.1 t -64.31 -32.21 56.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 74.43 111.1 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 11.8 ttpt -69.1 -48.17 63.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 75.12 110.946 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 605' ' ' MET . . . . . . . . . . . . . 37.6 mtp -73.13 -31.12 64.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 74.51 110.901 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 606' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -76.27 -36.57 58.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 74.15 110.895 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -88.61 -67.86 0.81 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 73.31 111.077 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 608' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -71.06 124.21 23.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 75.13 110.821 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -72.78 -34.36 66.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 71.4 110.831 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -95.31 40.13 1.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 75.43 110.817 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 611' ' ' ALA . . . . . . . . . . . . . . . -64.09 -168.21 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 71.31 111.104 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 10.6 t70 64.5 36.36 8.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 72.44 110.873 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 613' ' ' HIS . . . . . . . . . . . . . 44.8 t60 -165.35 -39.32 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 71.32 110.886 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 614' ' ' ARG . . . . . . . . . . . . . 14.9 mtm180 -84.83 157.12 21.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 74.43 110.917 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 615' ' ' THR . . . . . . . . . . . . . 3.7 t -73.51 158.01 35.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 72.24 111.105 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 616' ' ' TYR . . . . . . . . . . . . . 15.3 p90 -85.61 -24.16 27.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 73.04 110.935 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 617' ' ' VAL . . . . . . . . . . . . . 13.8 p -60.26 -33.11 52.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.092 -0.504 . . . . 75.4 111.119 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 618' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.13 -50.57 72.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 74.42 110.882 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 619' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.38 -25.27 67.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 72.22 110.903 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 620' ' ' LYS . . . . . . . . . . . . . 22.6 ttpt -74.65 -33.81 62.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 74.25 110.936 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -71.65 -36.02 70.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 73.42 110.869 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 5.2 mttm -71.1 -41.14 70.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.45 . . . . 72.22 110.89 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 623' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -70.53 -50.23 39.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 73.11 110.854 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 17.0 tttt -50.73 -54.91 19.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 75.31 110.879 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 13.7 t -61.98 -31.0 71.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 71.44 111.173 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 626' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.68 -53.73 54.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 75.44 110.892 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 627' ' ' VAL . . . . . . . . . . . . . 77.6 t -58.49 -54.95 26.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 65.31 111.159 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 628' ' ' HIS . . . . . 0.413 ' HA ' ' HB ' ' A' ' 632' ' ' ILE . 49.9 m170 -53.01 -29.54 30.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 71.21 110.89 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 629' ' ' THR . . . . . . . . . . . . . 23.7 m -74.35 -29.63 61.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 62.35 111.185 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -54.16 -49.88 68.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 74.41 111.144 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 11.8 t 173.26 68.52 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 73.0 110.852 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 632' ' ' ILE . . . . . 0.413 ' HB ' ' HA ' ' A' ' 628' ' ' HIS . 2.8 mp -130.28 -76.43 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.106 -0.497 . . . . 64.44 111.11 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 633' ' ' ALA . . . . . . . . . . . . . . . -103.6 144.18 28.13 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.613 0.721 . . . . 74.04 111.151 179.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 634' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -48.07 0.78 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.639 2.226 . . . . 73.41 112.333 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 635' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -73.83 -13.73 60.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 72.43 110.895 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 51.8 mm-40 -80.79 -0.87 40.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.133 -0.485 . . . . 75.01 110.963 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 637' ' ' ARG . . . . . . . . . . . . . 30.1 mmm-85 -79.47 114.25 18.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 74.32 110.915 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 638' ' ' ARG . . . . . . . . . . . . . 1.7 ttt-85 -60.64 134.11 56.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.461 . . . . 73.21 110.828 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 639' ' ' GLY . . . . . . . . . . . . . . . -51.78 -58.4 10.43 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.75 -0.738 . . . . 72.02 112.413 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 640' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -52.89 161.29 1.22 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.69 0.757 . . . . 63.43 110.846 -179.828 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 121.81 8.48 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.714 2.276 . . . . 63.34 112.333 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 642' ' ' VAL . . . . . . . . . . . . . 3.9 p -105.32 134.44 19.67 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.659 0.742 . . . . 70.15 111.151 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 128.62 16.3 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.742 2.295 . . . . 74.14 112.309 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -68.04 -25.62 65.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 73.25 110.912 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -62.93 -41.33 99.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 73.55 110.915 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 646' ' ' LEU . . . . . . . . . . . . . 58.2 mt -74.91 -34.81 62.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.494 . . . . 73.33 110.917 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 647' ' ' LEU . . . . . . . . . . . . . 53.5 mt -71.73 -40.67 69.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 74.5 110.9 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.44 -30.23 64.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 63.44 110.827 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -74.47 -49.03 23.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 72.52 110.896 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 650' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -59.33 -33.61 51.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 73.12 111.12 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.53 -41.99 68.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 72.43 110.892 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -54.55 -48.17 72.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 71.41 111.101 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -75.06 -46.32 35.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 75.22 111.091 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 654' ' ' HIS . . . . . . . . . . . . . 52.2 t-80 -54.04 -41.51 68.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 64.15 110.861 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -76.04 -46.87 27.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 75.02 111.125 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 65.4 t80 -55.59 -49.43 72.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 74.21 110.918 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 657' ' ' TRP . . . . . . . . . . . . . 64.1 m95 -70.26 -36.7 74.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.152 -0.477 . . . . 72.33 110.916 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 16.4 t -54.09 -34.79 61.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.435 . . . . 74.34 110.889 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 659' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -57.46 -24.76 57.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.495 . . . . 64.03 110.931 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -122.03 50.42 1.45 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 64.1 110.926 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -152.77 167.67 28.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 72.52 110.929 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 662' ' ' GLY . . . . . . . . . . . . . . . -94.66 177.35 35.79 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.727 -0.749 . . . . 73.23 112.43 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 35.3 mtmm -151.21 171.96 16.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.73 0.3 . . . . 75.11 110.914 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -96.37 -72.08 0.65 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 75.34 110.978 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 665' ' ' HIS . . . . . . . . . . . . . 15.5 t-80 -143.12 136.26 28.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 74.41 110.829 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 666' ' ' VAL . . . . . . . . . . . . . 32.6 m -128.57 179.93 3.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 72.21 111.153 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -74.93 160.51 80.51 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.596 0.712 . . . . 62.3 110.897 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 668' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 155.57 65.59 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.697 2.265 . . . . 73.4 112.311 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 669' ' ' LEU . . . . . . . . . . . . . 54.8 tp -112.78 147.37 37.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 74.42 110.89 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 670' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.12 117.03 32.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 70.4 110.841 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 671' ' ' ILE . . . . . . . . . . . . . 21.5 tt -113.57 146.63 17.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 74.45 111.088 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 8.3 mp -90.94 127.31 36.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.485 . . . . 72.31 110.896 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 673' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -105.57 120.15 40.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 62.43 110.818 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -94.16 158.59 15.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 72.51 111.131 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 5.1 mtmp? -126.67 106.59 9.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 74.21 110.884 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . -76.89 132.08 38.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 73.24 111.14 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 33.9 tp60 -70.83 145.13 50.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 71.11 110.912 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 678' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.87 176.25 5.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 73.31 110.915 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 679' ' ' VAL . . . . . . . . . . . . . 57.8 t -123.67 132.61 71.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 74.45 111.119 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 680' ' ' GLY . . . . . . . . . . . . . . . -110.45 73.19 0.21 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.69 -0.767 . . . . 74.34 112.483 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 681' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-O 120.792 0.329 . . . . 61.51 111.117 -179.972 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 561' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.868 0.278 . . . . 63.45 112.338 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 562' ' ' VAL . . . . . . . . . . . . . 4.9 m -130.98 103.17 7.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 74.03 111.15 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 563' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -144.05 164.34 30.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.134 -0.484 . . . . 74.1 110.867 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 8.8 mp0 -96.7 174.27 6.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.494 . . . . 75.54 110.907 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 565' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -134.96 99.52 4.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 72.32 110.89 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -126.84 148.61 49.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.292 -0.413 . . . . 74.21 110.851 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 567' ' ' LYS . . . . . . . . . . . . . 20.0 tptt -139.38 148.94 43.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 65.23 110.838 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -140.98 179.45 6.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 74.42 110.87 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 17.1 t -116.84 151.81 35.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 75.14 110.87 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -152.63 178.99 9.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 74.41 110.897 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 19.1 mt -138.19 177.15 8.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 75.33 110.94 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 4.5 m -154.47 -170.21 3.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 64.54 110.829 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 573' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -163.78 -176.78 4.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.488 . . . . 72.51 110.888 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 574' ' ' ARG . . . . . . . . . . . . . 7.1 ptt180 -179.52 161.13 1.02 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 73.2 110.866 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -145.71 -75.32 0.22 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 75.04 110.937 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 576' ' ' ILE . . . . . . . . . . . . . 24.1 mm -135.27 150.46 29.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 72.32 111.113 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 4.0 mpt_? -107.56 179.91 4.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 74.04 110.897 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 578' ' ' ARG . . . . . . . . . . . . . 20.2 mmt85 -120.37 159.03 49.51 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.579 0.704 . . . . 75.2 110.857 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 82.1 0.78 Allowed 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.686 2.257 . . . . 61.42 112.325 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 580' ' ' PHE . . . . . . . . . . . . . 8.6 p90 -93.09 142.12 27.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 72.4 110.895 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 18.0 m -109.29 170.4 8.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.481 . . . . 53.24 110.857 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 582' ' ' VAL . . . . . . . . . . . . . 99.0 t -51.67 -37.65 20.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 62.2 111.102 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -69.61 -48.14 61.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 73.24 111.086 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 584' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -63.55 -54.77 30.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 75.2 110.852 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 585' ' ' VAL . . . . . . . . . . . . . 60.7 t -54.05 -33.84 25.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 75.02 111.086 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -63.03 -52.12 64.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 73.31 110.93 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 587' ' ' ALA . . . . . . . . . . . . . . . -64.12 -31.42 72.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 72.14 111.083 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 588' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -66.41 -54.47 23.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 74.31 110.877 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 589' ' ' VAL . . . . . . . . . . . . . 47.9 t -60.75 -54.45 35.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 72.31 111.119 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -51.79 -37.1 50.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.153 -0.476 . . . . 75.42 110.927 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -72.66 -40.22 66.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.067 -0.515 . . . . 52.35 111.082 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 592' ' ' VAL . . . . . . . . . . . . . 37.4 t -73.84 -26.07 21.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 75.14 111.176 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.02 -39.47 63.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 73.31 110.863 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 31.3 m170 -85.79 -47.26 9.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 74.23 110.891 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 595' ' ' LEU . . . . . . . . . . . . . 14.5 mt -79.56 -23.45 42.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 70.51 110.895 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 596' ' ' GLY . . . . . . . . . . . . . . . 84.22 -174.84 51.05 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.707 -0.758 . . . . 72.11 112.448 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 36.1 p -94.83 28.28 2.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.838 0.351 . . . . 60.33 111.133 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 598' ' ' GLY . . . . . . . . . . . . . . . -121.72 -24.83 2.25 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.737 -0.744 . . . . 44.2 112.558 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 599' ' ' ARG . . . . . . . . . . . . . 43.0 mtt85 -105.68 71.74 0.93 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.855 0.359 . . . . 74.13 110.873 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 600' ' ' TRP . . . . . . . . . . . . . 5.1 m0 -59.8 -49.77 76.43 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.15 -0.477 . . . . 75.43 110.904 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 601' ' ' ARG . . . . . . . . . . . . . 73.8 mtm180 -52.42 -45.63 66.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 73.33 110.892 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 602' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -63.43 -35.15 79.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 64.12 110.829 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 55.5 t -64.73 -31.81 55.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 73.04 111.14 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 27.2 ttpt -69.52 -49.3 55.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.489 . . . . 75.44 110.857 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 605' ' ' MET . . . . . . . . . . . . . 6.8 ptm -72.91 -31.47 64.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.296 -0.411 . . . . 74.3 110.922 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 606' ' ' ARG . . . . . . . . . . . . . 19.0 tpp180 -75.09 -40.5 60.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 73.32 110.952 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -84.88 -68.8 0.7 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.108 -0.496 . . . . 72.33 111.142 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 608' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -71.53 124.75 25.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 74.11 110.92 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -71.98 -34.35 68.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 64.23 110.936 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 61.8 m-20 -119.85 79.45 1.45 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.232 -0.44 . . . . 73.31 110.836 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 611' ' ' ALA . . . . . . . . . . . . . . . -140.64 89.61 2.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.239 -0.437 . . . . 74.44 111.127 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -103.95 -57.67 2.0 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.466 . . . . 74.31 110.881 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 613' ' ' HIS . . . . . . . . . . . . . 13.5 t60 -95.76 25.84 4.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 64.12 110.851 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 614' ' ' ARG . . . . . . . . . . . . . 5.7 mmt180 -91.23 154.39 19.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 74.51 110.922 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 615' ' ' THR . . . . . . . . . . . . . 1.2 m -93.56 164.16 13.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 73.41 111.22 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 616' ' ' TYR . . . . . . . . . . . . . 7.4 p90 -89.78 3.4 52.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.259 -0.428 . . . . 73.24 110.996 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 617' ' ' VAL . . . . . . . . . . . . . 12.3 p -72.41 -32.67 42.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.081 -0.509 . . . . 75.14 111.117 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 618' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.67 -50.59 23.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 73.41 110.843 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 619' ' ' LEU . . . . . . . . . . . . . 2.5 pp -63.14 -39.58 95.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 73.35 110.894 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 620' ' ' LYS . . . . . . . . . . . . . 11.6 ptmm? -72.13 -32.59 67.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 75.23 110.884 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -71.65 -35.27 70.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.431 . . . . 74.15 110.829 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 17.4 ttmt -69.65 -38.67 77.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.274 -0.421 . . . . 65.53 110.902 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 623' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -63.97 -51.64 63.39 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.21 -0.45 . . . . 75.52 110.874 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.12 -55.42 20.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 71.51 110.869 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 11.5 t -61.68 -30.26 70.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 75.14 111.063 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 626' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.14 -53.85 52.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.249 -0.432 . . . . 75.51 110.95 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 627' ' ' VAL . . . . . . . . . . . . . 79.4 t -56.82 -51.85 62.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 74.11 111.077 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 628' ' ' HIS . . . . . 0.408 ' HA ' ' HB ' ' A' ' 632' ' ' ILE . 12.8 m-70 -53.76 -28.19 33.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 73.23 110.836 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 629' ' ' THR . . . . . . . . . . . . . 21.3 m -79.28 -29.59 42.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 70.32 111.136 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -55.24 -49.41 72.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 72.12 111.063 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 10.8 t 173.32 70.64 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 74.41 110.903 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 632' ' ' ILE . . . . . 0.408 ' HB ' ' HA ' ' A' ' 628' ' ' HIS . 1.8 mp -124.96 -65.46 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.135 -0.484 . . . . 74.02 111.162 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 633' ' ' ALA . . . . . . . . . . . . . . . -101.99 155.25 36.68 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.556 0.694 . . . . 74.01 111.109 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 634' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -44.36 2.11 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.682 2.254 . . . . 70.14 112.315 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 635' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -63.22 -15.98 58.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 71.45 110.927 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 17.0 mm-40 -81.65 -30.27 32.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 73.42 110.943 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 637' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.3 150.93 25.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 74.43 110.828 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 638' ' ' ARG . . . . . . . . . . . . . 4.8 tpt180 64.11 96.76 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 75.51 110.925 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 639' ' ' GLY . . . . . . . . . . . . . . . 174.83 -136.97 3.66 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.724 -0.75 . . . . 75.25 112.449 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 640' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -51.85 160.21 1.17 Allowed Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.664 0.745 . . . . 54.21 110.882 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.74 120.44 7.23 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.693 2.262 . . . . 73.12 112.353 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 642' ' ' VAL . . . . . . . . . . . . . 1.7 p -134.35 130.93 20.31 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.654 0.74 . . . . 71.33 111.121 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 128.54 16.16 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.693 2.262 . . . . 75.22 112.358 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -70.52 -21.71 62.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 74.42 110.866 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -68.18 -38.11 81.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 73.33 110.846 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 646' ' ' LEU . . . . . . . . . . . . . 50.2 mt -75.41 -42.05 54.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 73.22 110.976 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 647' ' ' LEU . . . . . . . . . . . . . 53.5 mt -65.3 -40.89 94.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 75.5 110.928 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -72.44 -33.02 66.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 73.41 110.882 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 5.8 mtp85 -74.52 -48.81 24.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 72.1 110.81 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 650' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -58.08 -33.66 47.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 74.3 111.151 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -71.5 -42.77 67.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 74.23 110.889 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -54.6 -51.25 65.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.429 . . . . 72.32 111.169 179.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -71.84 -41.27 68.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 73.02 111.097 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 654' ' ' HIS . . . . . . . . . . . . . 31.1 t-80 -53.24 -44.99 68.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 75.54 110.876 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -67.28 -47.33 70.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 73.44 111.098 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 73.9 t80 -55.15 -49.99 70.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 73.2 110.906 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 657' ' ' TRP . . . . . . . . . . . . . 55.4 m95 -71.12 -36.68 72.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 72.33 110.937 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 7.6 t -53.67 -32.12 50.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 60.24 110.855 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 659' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -56.8 -22.04 33.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 75.34 110.973 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 23.0 pt20 38.47 50.09 1.47 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 73.14 110.849 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 -51.61 -29.09 16.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 75.34 110.914 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 662' ' ' GLY . . . . . . . . . . . . . . . -175.23 73.58 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.756 -0.735 . . . . 70.53 112.505 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 13.5 pttm -171.9 162.68 6.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.714 0.292 . . . . 74.32 110.919 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 -175.8 151.19 1.1 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 74.0 110.985 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 665' ' ' HIS . . . . . . . . . . . . . 3.7 m80 -159.19 179.35 9.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.253 -0.43 . . . . 72.01 110.826 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 666' ' ' VAL . . . . . . . . . . . . . 9.9 p -116.56 158.44 17.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 75.13 111.145 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.61 157.25 38.02 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.648 0.737 . . . . 53.31 110.882 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 668' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -170.69 0.41 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.643 2.228 . . . . 72.11 112.386 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 669' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -108.3 -169.83 1.57 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 74.24 110.918 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 670' ' ' LYS . . . . . . . . . . . . . 6.5 mtpm? -66.53 151.32 47.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 72.41 110.866 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 671' ' ' ILE . . . . . . . . . . . . . 9.2 tp -175.56 145.83 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 64.54 111.152 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 37.8 tp -170.59 148.16 3.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.233 -0.44 . . . . 73.31 110.966 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 673' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -175.57 146.25 0.76 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 75.11 110.89 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -177.85 155.85 1.04 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 73.32 111.112 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -174.94 146.93 0.92 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 74.21 110.844 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . -176.3 163.07 2.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 74.51 111.1 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -173.96 156.03 2.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.273 -0.421 . . . . 62.24 110.901 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 678' ' ' LYS . . . . . . . . . . . . . 16.7 tptm -174.96 148.16 1.01 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 75.52 110.912 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 679' ' ' VAL . . . . . . . . . . . . . 17.8 m -123.16 -177.67 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 74.53 111.145 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 680' ' ' GLY . . . . . . . . . . . . . . . -168.18 173.92 43.01 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.77 -0.729 . . . . 75.22 112.51 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 681' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.267 0 CA-C-O 120.767 0.318 . . . . 73.34 111.109 179.975 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 561' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 N--CA 1.465 -0.157 0 CA-C-O 120.832 0.263 . . . . 72.52 112.337 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 562' ' ' VAL . . . . . . . . . . . . . 7.5 p -175.11 125.77 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 74.02 111.16 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 563' ' ' ASN . . . . . . . . . . . . . 24.3 m120 -146.34 -176.11 5.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.459 . . . . 73.23 110.876 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -171.26 175.48 4.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 70.13 110.867 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 565' ' ' LYS . . . . . . . . . . . . . 3.2 ptpt -164.05 147.71 9.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 74.03 110.819 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 8.9 m -127.08 148.61 50.13 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.189 -0.46 . . . . 74.04 110.845 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 567' ' ' LYS . . . . . . . . . . . . . 30.8 mmtp -139.77 158.07 44.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 72.21 110.929 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 8.0 mpt_? -134.82 125.03 26.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.28 -0.418 . . . . 74.52 110.802 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 28.7 m -116.84 151.75 35.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 71.44 110.856 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -151.36 137.68 18.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 71.45 110.886 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 72.1 mt -154.29 166.5 32.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 71.01 110.93 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 3.7 m 52.07 54.94 9.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 74.14 110.867 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 573' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -56.46 -33.84 66.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.099 -0.501 . . . . 73.24 110.951 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 574' ' ' ARG . . . . . . . . . . . . . 7.8 mpt_? -60.15 147.91 38.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.197 -0.456 . . . . 74.02 110.854 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -134.64 173.06 12.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 75.44 110.816 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 576' ' ' ILE . . . . . . . . . . . . . 6.9 tt -143.06 22.96 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 75.32 111.131 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -63.55 176.46 0.85 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 75.41 110.863 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 578' ' ' ARG . . . . . . . . . . . . . 22.4 mmm180 -105.31 157.47 34.33 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.642 0.734 . . . . 72.0 110.818 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 95.51 0.56 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.648 2.232 . . . . 71.24 112.291 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 580' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -91.95 144.74 25.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.293 -0.412 . . . . 74.42 110.838 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 16.8 m -72.5 159.29 34.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.099 -0.5 . . . . 73.25 110.875 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 582' ' ' VAL . . . . . . . . . . . . . 85.1 t -54.43 -36.84 35.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.149 -0.478 . . . . 54.55 111.135 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -68.72 -36.82 78.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 62.3 111.09 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 584' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -75.29 -41.24 57.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 72.44 110.9 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 585' ' ' VAL . . . . . . . . . . . . . 92.3 t -66.28 -37.09 78.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.107 -0.497 . . . . 72.32 111.12 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -51.49 -30.71 20.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.456 . . . . 74.2 110.878 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 587' ' ' ALA . . . . . . . . . . . . . . . -64.78 -46.12 83.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 74.43 111.062 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 588' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.06 -55.33 36.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.456 . . . . 74.33 110.977 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 589' ' ' VAL . . . . . 0.424 ' HA ' HG13 ' A' ' 592' ' ' VAL . 3.6 p -60.02 -50.55 79.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 74.1 111.092 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -60.08 -29.69 68.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 74.11 110.903 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -74.8 -43.86 52.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 64.35 111.045 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 592' ' ' VAL . . . . . 0.424 HG13 ' HA ' ' A' ' 589' ' ' VAL . 12.8 p -75.52 -25.81 17.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 75.23 111.152 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -73.71 -36.61 65.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 72.13 110.911 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 46.7 m170 -84.15 -47.26 11.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.469 . . . . 75.24 110.91 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 595' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -80.29 -23.43 40.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 74.51 110.948 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 596' ' ' GLY . . . . . . . . . . . . . . . 94.16 175.07 39.22 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.746 -0.74 . . . . 75.25 112.476 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -88.91 17.22 5.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.797 0.332 . . . . 71.23 111.13 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 598' ' ' GLY . . . . . . . . . . . . . . . -125.24 15.22 7.3 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.802 -0.713 . . . . 73.13 112.504 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 599' ' ' ARG . . . . . . . . . . . . . 40.4 mtt85 -140.75 79.26 1.69 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.843 0.354 . . . . 73.55 110.898 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 600' ' ' TRP . . . . . . . . . . . . . 10.9 m0 -69.32 -46.08 67.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 75.34 110.99 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 601' ' ' ARG . . . . . . . . . . . . . 46.7 ttm-85 -53.06 -48.97 67.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 74.43 110.884 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 602' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -64.41 -38.65 91.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.214 -0.448 . . . . 74.25 110.88 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 25.1 t -57.5 -36.74 54.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.177 -0.465 . . . . 60.05 111.131 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 3.7 ttpm? -72.19 -39.29 68.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 71.24 110.883 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 605' ' ' MET . . . . . . . . . . . . . 45.8 mmm -69.9 -31.57 69.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 75.3 110.919 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 606' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.39 -40.57 17.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 75.05 110.893 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -80.79 -69.36 0.61 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 75.15 111.111 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 608' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -71.98 124.61 25.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 74.53 110.869 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -72.33 -34.27 67.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 63.04 110.869 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -91.76 47.42 1.36 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 74.15 110.912 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 611' ' ' ALA . . . . . . . . . . . . . . . -85.28 55.02 3.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 73.45 111.106 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -100.38 86.76 3.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 75.44 110.792 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 613' ' ' HIS . . . . . . . . . . . . . 10.4 m-70 63.87 57.81 1.31 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 75.34 110.829 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 614' ' ' ARG . . . . . . . . . . . . . 8.4 tpp180 -121.9 156.32 33.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 74.44 110.806 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 615' ' ' THR . . . . . . . . . . . . . 2.2 m -74.42 158.09 34.49 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.127 -0.488 . . . . 73.24 111.076 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 616' ' ' TYR . . . . . . . . . . . . . 35.9 p90 -99.69 17.76 19.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.467 . . . . 74.4 110.896 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 617' ' ' VAL . . . . . . . . . . . . . 7.9 p -70.85 -36.43 64.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 74.04 111.176 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 618' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.69 -50.82 72.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.086 -0.506 . . . . 72.1 110.856 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 619' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -73.07 -19.86 61.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.271 -0.422 . . . . 74.01 110.882 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 620' ' ' LYS . . . . . . . . . . . . . 4.6 tmmm? -68.02 -50.08 57.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 74.15 110.867 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 -71.89 -32.85 67.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 75.41 110.845 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 1.1 tppp? -65.73 -40.39 92.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 75.33 110.948 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 623' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -72.44 -44.48 62.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 75.12 110.948 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -51.05 -45.87 61.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.267 -0.424 . . . . 72.44 110.912 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 8.8 t -74.74 -37.48 62.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 73.52 111.142 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 626' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.96 -54.86 37.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.267 -0.424 . . . . 73.43 110.85 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 627' ' ' VAL . . . . . . . . . . . . . 91.2 t -61.92 -54.68 31.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 73.01 111.089 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 628' ' ' HIS . . . . . 0.429 ' HA ' ' HB ' ' A' ' 632' ' ' ILE . 11.6 m170 -53.75 -26.53 23.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 73.45 110.884 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 629' ' ' THR . . . . . . . . . . . . . 36.3 m -78.36 -30.05 47.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 73.23 111.141 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -52.81 -49.7 65.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 73.31 111.059 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 169.41 67.53 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 64.42 110.845 -179.77 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 632' ' ' ILE . . . . . 0.429 ' HB ' ' HA ' ' A' ' 628' ' ' HIS . 2.6 mp -128.19 -75.44 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.087 -0.506 . . . . 73.1 111.099 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 633' ' ' ALA . . . . . . . . . . . . . . . -102.54 145.44 30.54 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.594 0.711 . . . . 63.51 111.117 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 634' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.67 -48.27 0.78 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.65 2.233 . . . . 74.24 112.423 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 635' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -74.0 -14.12 60.97 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.173 -0.467 . . . . 72.33 110.891 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 58.9 mm-40 -81.12 -0.42 40.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 75.01 110.871 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 637' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -74.65 114.75 13.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.436 . . . . 72.41 110.867 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 638' ' ' ARG . . . . . . . . . . . . . 1.8 ttp180 -50.89 128.41 21.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 75.15 110.849 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 639' ' ' GLY . . . . . . . . . . . . . . . -51.49 -38.28 42.4 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.686 -0.769 . . . . 53.43 112.427 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 640' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -81.21 160.52 65.26 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.674 0.75 . . . . 65.24 110.888 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 122.11 8.81 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.694 2.263 . . . . 73.3 112.354 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 642' ' ' VAL . . . . . . . . . . . . . 5.8 m -106.5 139.44 20.34 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.674 0.75 . . . . 73.34 111.067 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.68 128.98 16.88 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.697 2.264 . . . . 70.53 112.378 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -65.63 -17.78 64.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 75.21 110.951 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -67.53 -42.98 81.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 71.41 110.83 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 646' ' ' LEU . . . . . . . . . . . . . 65.1 mt -71.98 -53.45 12.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.141 -0.481 . . . . 73.45 110.922 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 647' ' ' LEU . . . . . . . . . . . . . 45.9 mt -51.73 -51.78 53.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 74.11 110.931 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -56.9 -41.17 77.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 73.43 110.804 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 1.4 mmm180 -65.71 -40.48 92.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 71.24 110.858 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 650' ' ' VAL . . . . . . . . . . . . . 92.7 t -61.53 -55.11 26.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 71.53 111.09 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 24.5 mt -63.2 -25.52 68.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 73.24 110.951 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -64.51 -51.37 63.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 72.03 111.152 179.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -75.82 -49.48 17.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 74.44 111.134 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 654' ' ' HIS . . . . . . . . . . . . . 19.7 m80 -53.26 -31.14 42.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.279 -0.419 . . . . 75.14 110.869 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -77.15 -46.9 21.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 54.32 111.075 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 77.2 t80 -63.27 -47.11 83.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 75.43 110.9 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 657' ' ' TRP . . . . . . . . . . . . . 33.1 m95 -65.41 -39.07 91.71 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.15 -0.477 . . . . 74.43 110.841 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 3.6 m -61.13 -33.07 72.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.285 -0.416 . . . . 72.22 110.938 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 659' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -57.16 -24.22 52.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 75.54 110.911 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -92.08 -49.66 6.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 72.31 110.95 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -172.48 175.9 3.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.151 -0.477 . . . . 73.51 110.924 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 662' ' ' GLY . . . . . . . . . . . . . . . 140.37 114.89 1.18 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.724 -0.751 . . . . 74.5 112.469 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 4.0 pttp -174.91 -172.72 0.64 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.735 0.302 . . . . 73.33 110.889 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 30.9 tp60 63.22 66.1 0.74 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 74.21 110.897 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 665' ' ' HIS . . . . . . . . . . . . . 51.0 m-70 -96.79 130.09 44.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 75.24 110.876 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 666' ' ' VAL . . . . . . . . . . . . . 10.6 p -127.08 151.98 34.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.237 -0.438 . . . . 72.45 111.216 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -113.14 157.38 41.04 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.63 0.729 . . . . 73.3 110.901 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 668' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -48.29 0.75 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.658 2.239 . . . . 65.44 112.373 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 669' ' ' LEU . . . . . . . . . . . . . 2.4 pp -176.27 168.87 2.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 75.24 110.911 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 670' ' ' LYS . . . . . . . . . . . . . 3.5 ptmm? -139.72 83.14 1.91 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 74.1 110.969 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 671' ' ' ILE . . . . . . . . . . . . . 10.0 tp -172.66 143.08 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 75.04 111.177 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -174.77 116.79 0.18 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 73.44 110.912 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 673' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -175.16 146.69 0.86 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.449 . . . . 74.25 110.897 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -175.49 135.09 0.31 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 75.41 111.094 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 4.8 tppt? -174.48 157.12 2.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 75.14 110.898 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . -165.29 170.54 14.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 71.24 111.096 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 2.7 pp0? -175.15 173.02 2.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 71.43 110.889 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 678' ' ' LYS . . . . . . . . . . . . . 6.5 pttm -126.55 -176.79 3.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 75.45 110.897 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 679' ' ' VAL . . . . . . . . . . . . . 11.7 p -149.41 147.04 16.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 74.31 111.16 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 680' ' ' GLY . . . . . . . . . . . . . . . -111.84 125.04 7.05 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.735 -0.745 . . . . 72.11 112.499 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 681' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.277 0 CA-C-O 120.863 0.363 . . . . 54.3 111.151 179.967 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 561' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.796 0.249 . . . . 75.33 112.297 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 562' ' ' VAL . . . . . . . . . . . . . 40.3 t 56.4 72.39 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 75.1 111.158 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 563' ' ' ASN . . . . . . . . . . . . . 13.3 p30 -95.45 165.41 12.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 73.34 110.927 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 9.6 tp-100 -168.16 143.72 3.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 75.13 110.888 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 565' ' ' LYS . . . . . . . . . . . . . 19.9 ttmt -119.18 166.1 13.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 70.31 110.888 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -117.17 123.2 46.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.237 -0.438 . . . . 63.11 110.844 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 567' ' ' LYS . . . . . . . . . . . . . 19.1 pttp -145.1 122.57 11.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.489 . . . . 74.41 110.897 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -160.75 111.4 1.79 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.29 -0.414 . . . . 74.43 110.911 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 3.9 m -86.18 120.87 28.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 63.44 110.852 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -89.23 93.89 9.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.093 -0.503 . . . . 72.44 110.919 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 8.0 mp -82.6 56.49 3.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 75.5 110.898 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 14.8 t -139.77 138.32 35.78 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.236 -0.438 . . . . 62.23 110.799 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 573' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -102.18 91.01 4.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.1 -0.5 . . . . 71.43 110.907 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 574' ' ' ARG . . . . . . . . . . . . . 53.8 mmm-85 -131.51 172.06 12.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 73.54 110.897 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.66 50.45 1.82 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 75.31 110.876 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 576' ' ' ILE . . . . . . . . . . . . . 13.3 tt -119.21 132.81 68.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 74.1 111.042 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -120.08 109.87 15.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.469 . . . . 74.42 110.879 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 578' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -77.57 160.12 75.56 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.587 0.708 . . . . 72.33 110.902 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 99.93 0.78 Allowed 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.711 2.274 . . . . 72.44 112.379 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 580' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -91.49 142.57 27.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 75.02 110.878 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 47.1 m -73.45 158.56 34.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.075 -0.511 . . . . 73.03 110.857 -179.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 582' ' ' VAL . . . . . . . . . . . . . 27.7 m -54.46 -32.15 24.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.087 -0.506 . . . . 64.41 111.125 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -64.78 -46.92 80.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 74.43 111.101 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 584' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -73.57 -44.19 57.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 71.32 110.89 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 585' ' ' VAL . . . . . . . . . . . . . 93.5 t -62.43 -35.4 69.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 73.32 111.139 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -58.07 -34.2 69.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.483 . . . . 73.12 110.844 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 587' ' ' ALA . . . . . . . . . . . . . . . -70.68 -45.42 65.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 62.2 111.1 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 588' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -55.84 -55.13 36.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 71.21 110.972 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 589' ' ' VAL . . . . . . . . . . . . . 36.9 t -61.49 -54.31 36.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 75.42 111.144 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -50.91 -44.22 60.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 74.45 110.874 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -66.36 -39.94 89.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 71.44 111.105 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 592' ' ' VAL . . . . . . . . . . . . . 17.9 t -69.52 -26.47 31.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 64.33 111.094 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -74.42 -36.81 63.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 75.15 110.886 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 -85.86 -48.61 8.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 72.04 110.839 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 595' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -79.93 -24.0 41.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 73.23 110.869 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 596' ' ' GLY . . . . . . . . . . . . . . . 88.2 -166.47 35.12 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.744 -0.741 . . . . 75.14 112.482 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 69.9 p -102.08 21.84 14.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.792 0.329 . . . . 75.53 111.095 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 598' ' ' GLY . . . . . . . . . . . . . . . -125.9 -8.99 4.94 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.765 -0.731 . . . . 71.22 112.523 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 599' ' ' ARG . . . . . . . . . . . . . 56.8 mtt85 -116.49 76.86 1.05 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.824 0.345 . . . . 73.43 110.815 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 600' ' ' TRP . . . . . . . . . . . . . 7.5 m0 -68.73 -49.91 54.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 74.1 110.909 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 601' ' ' ARG . . . . . . . . . . . . . 74.5 mtm-85 -54.46 -46.43 73.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.278 -0.419 . . . . 75.41 110.882 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 602' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -63.33 -30.58 71.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 73.5 110.889 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 38.8 t -71.32 -34.69 54.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 73.32 111.112 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 33.2 tptt -71.09 -44.13 66.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 73.2 110.942 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 605' ' ' MET . . . . . . . . . . . . . 28.2 ptm -72.86 -31.72 64.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 74.4 110.893 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 606' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.95 -42.61 26.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.445 . . . . 74.42 110.873 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -77.11 -68.41 0.61 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 75.41 111.119 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 608' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -70.97 124.16 23.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 74.21 110.866 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -72.59 -34.26 67.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.143 -0.481 . . . . 72.03 110.902 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -120.41 76.3 1.17 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 72.42 110.839 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 611' ' ' ALA . . . . . . . . . . . . . . . -102.42 74.92 1.42 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 64.25 111.114 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -51.15 -34.49 31.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 65.2 110.864 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 613' ' ' HIS . . . . . . . . . . . . . 8.8 p80 -115.63 125.41 52.88 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.213 -0.449 . . . . 71.14 110.783 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 614' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -71.92 103.0 3.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 74.53 110.913 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 615' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.48 176.43 5.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 72.3 111.137 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 616' ' ' TYR . . . . . . . . . . . . . 26.1 p90 -163.94 -40.07 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 74.55 110.958 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 617' ' ' VAL . . . . . . . . . . . . . 9.5 p -72.02 -32.35 43.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 74.03 111.124 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 618' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.51 -51.54 34.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 71.33 110.89 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 619' ' ' LEU . . . . . . . . . . . . . 1.2 pp -65.25 -52.35 54.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 74.4 110.927 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 620' ' ' LYS . . . . . . . . . . . . . 17.4 pttt -56.16 -33.11 64.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 73.11 110.893 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -64.96 -44.82 88.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 61.13 110.873 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 5.8 mptt -67.72 -28.25 67.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 75.15 110.871 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 623' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -73.33 -53.61 10.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.292 -0.413 . . . . 73.43 110.88 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -51.66 -42.73 62.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 73.52 110.918 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 12.6 t -72.45 -29.3 63.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.247 -0.433 . . . . 73.43 111.119 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 626' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.45 -55.53 11.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.218 -0.446 . . . . 75.44 110.882 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 627' ' ' VAL . . . . . . . . . . . . . 4.2 p -56.6 -45.0 82.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 75.42 111.096 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 628' ' ' HIS . . . . . . . . . . . . . 14.6 m170 -58.01 -38.04 75.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 65.54 110.817 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 629' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -69.25 -28.7 66.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 70.24 111.14 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -53.7 -47.9 70.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 75.22 111.135 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 173.88 68.01 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.269 -0.423 . . . . 72.21 110.853 -179.763 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 632' ' ' ILE . . . . . . . . . . . . . 2.5 mp -134.11 -72.86 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 74.31 111.15 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 633' ' ' ALA . . . . . . . . . . . . . . . -102.97 144.77 29.3 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.695 0.76 . . . . 74.21 111.08 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 634' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -45.61 1.5 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.757 2.305 . . . . 70.32 112.341 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 635' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -73.83 -13.01 60.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 74.13 110.826 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -80.35 -33.09 37.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 73.13 110.867 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 637' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 -84.47 113.24 21.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 64.32 110.889 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 638' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 177.82 -169.98 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 75.01 110.852 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 639' ' ' GLY . . . . . . . . . . . . . . . 74.85 -162.9 54.12 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.732 -0.746 . . . . 64.11 112.477 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 640' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.3 156.9 1.79 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.601 0.715 . . . . 65.42 110.941 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 122.69 9.37 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.745 2.297 . . . . 74.4 112.324 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 642' ' ' VAL . . . . . . . . . . . . . 17.0 m -101.0 140.15 21.07 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.568 0.699 . . . . 74.12 111.163 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 133.8 26.55 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.725 2.283 . . . . 62.25 112.328 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -62.08 -20.32 63.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 73.1 110.933 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -63.37 -41.53 98.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 74.04 110.922 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 646' ' ' LEU . . . . . . . . . . . . . 83.7 mt -75.56 -41.88 53.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 74.0 110.903 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 647' ' ' LEU . . . . . . . . . . . . . 54.9 mt -66.82 -33.38 75.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 64.41 110.88 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -72.54 -42.01 65.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.221 -0.445 . . . . 72.11 110.81 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 53.1 mtt180 -73.97 -48.14 32.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 73.32 110.921 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 650' ' ' VAL . . . . . . . . . . . . . 5.5 p -56.72 -34.78 43.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 75.41 111.135 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 19.8 mt -71.53 -42.49 67.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 74.45 110.946 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -60.06 -49.47 77.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 75.34 111.152 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -68.25 -48.27 65.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 74.32 111.128 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 654' ' ' HIS . . . . . . . . . . . . . 53.2 t60 -56.56 -43.52 80.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.248 -0.433 . . . . 73.32 110.828 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -74.2 -46.8 39.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 74.45 111.091 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 67.7 t80 -56.86 -49.49 75.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 75.11 110.901 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 657' ' ' TRP . . . . . . . . . . . . . 65.9 m95 -70.49 -31.13 68.12 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.154 -0.476 . . . . 74.23 110.85 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 2.2 t -59.33 -35.79 74.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.303 -0.408 . . . . 73.42 110.86 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 659' ' ' GLN . . . . . . . . . . . . . 20.1 tt0 -56.85 -24.9 54.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.489 . . . . 74.24 110.9 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -131.07 51.21 2.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 73.32 110.917 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -164.94 158.12 16.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 65.04 110.994 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 662' ' ' GLY . . . . . . . . . . . . . . . -97.43 -149.28 25.13 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.791 -0.718 . . . . 74.33 112.495 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 39.1 mmtt -146.47 158.66 43.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.764 0.316 . . . . 75.14 110.893 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 19.7 mp0 -154.83 165.23 37.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 64.3 110.964 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 665' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -175.38 111.51 0.12 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 73.35 110.88 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 666' ' ' VAL . . . . . . . . . . . . . 16.1 m -151.62 133.04 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 64.02 111.172 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -136.08 157.58 75.47 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.618 0.723 . . . . 74.4 110.891 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 668' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -170.95 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.698 2.265 . . . . 62.35 112.355 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 669' ' ' LEU . . . . . . . . . . . . . 16.2 tp -156.21 113.22 3.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 74.02 110.9 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 670' ' ' LYS . . . . . . . . . . . . . 6.7 tppt? -170.26 157.73 6.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 75.31 110.933 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 671' ' ' ILE . . . . . . . . . . . . . 19.0 pt -131.87 -177.61 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 74.43 111.083 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -144.41 166.2 25.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 73.45 110.94 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 673' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -174.88 158.62 2.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 63.34 110.833 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -170.42 178.06 3.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.459 . . . . 52.43 111.116 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 26.0 mttp -132.28 179.35 6.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.193 -0.458 . . . . 64.24 110.887 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . -130.5 -174.29 3.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 75.3 111.116 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 11.2 tp-100 -169.31 160.22 9.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.28 -0.418 . . . . 63.24 110.931 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 678' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -148.05 133.07 18.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 74.32 110.881 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 679' ' ' VAL . . . . . . . . . . . . . 44.0 t -93.48 147.18 5.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 74.44 111.114 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 680' ' ' GLY . . . . . . . . . . . . . . . -107.21 -137.58 8.53 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.777 -0.725 . . . . 70.51 112.476 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 681' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.271 0 CA-C-O 120.782 0.325 . . . . 73.21 111.07 179.955 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 561' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.849 0.27 . . . . 62.33 112.326 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 562' ' ' VAL . . . . . . . . . . . . . 7.5 p -174.57 125.42 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 73.42 111.104 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 563' ' ' ASN . . . . . . . . . . . . . 41.2 t30 -150.89 147.26 27.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 72.44 110.894 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -164.51 168.73 18.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 75.34 110.951 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 565' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.97 26.02 7.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 54.4 110.908 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 3.8 m -98.36 147.67 24.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 74.13 110.797 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 567' ' ' LYS . . . . . . . . . . . . . 38.5 pttt -112.32 -26.22 8.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 75.02 110.878 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 57.2 ttt180 -76.59 132.8 39.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 64.13 110.922 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -116.87 151.59 36.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 75.13 110.831 -179.827 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -67.63 150.54 48.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.059 -0.519 . . . . 60.13 110.889 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 90.8 mt -154.38 -176.66 5.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.119 -0.491 . . . . 62.32 110.867 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 4.3 m -127.14 171.43 11.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 74.01 110.848 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 573' ' ' GLN . . . . . . . . . . . . . 59.3 mm-40 -152.63 -176.29 5.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 74.53 110.914 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 574' ' ' ARG . . . . . . . . . . . . . 6.1 tpm_? -103.23 -74.57 0.63 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.222 -0.444 . . . . 73.52 110.873 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? 52.01 58.8 5.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 75.34 110.829 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 576' ' ' ILE . . . . . . . . . . . . . 14.7 tt -82.08 146.47 7.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 75.21 111.066 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 54.3 mtp85 -132.58 -175.78 3.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 72.45 110.884 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 578' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -113.72 160.02 33.51 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.594 0.711 . . . . 74.54 110.902 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 103.38 1.16 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.651 2.234 . . . . 75.33 112.37 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 580' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -92.3 144.13 25.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 74.31 110.897 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 1.3 m -72.44 158.62 35.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.125 -0.489 . . . . 74.54 110.858 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 582' ' ' VAL . . . . . . . . . . . . . 32.0 m -55.19 -32.44 28.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.479 . . . . 71.31 111.169 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -69.3 -41.43 76.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 74.51 111.134 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 584' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -74.99 -41.25 59.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 70.13 110.84 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 585' ' ' VAL . . . . . . . . . . . . . 97.9 t -61.29 -35.64 67.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.127 -0.488 . . . . 71.13 111.123 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -51.42 -30.64 19.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 74.14 110.886 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 587' ' ' ALA . . . . . . . . . . . . . . . -67.4 -47.36 70.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 74.02 111.103 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 588' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.35 -47.14 79.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.216 -0.447 . . . . 64.12 110.956 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 589' ' ' VAL . . . . . 0.41 ' HA ' HG13 ' A' ' 592' ' ' VAL . 21.7 t -67.84 -56.77 11.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 72.42 111.099 179.802 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -55.0 -27.55 45.07 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.169 -0.469 . . . . 74.05 110.92 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -75.69 -46.4 31.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 75.01 111.096 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 592' ' ' VAL . . . . . 0.41 HG13 ' HA ' ' A' ' 589' ' ' VAL . 14.9 p -74.72 -25.63 19.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 75.25 111.101 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.96 -42.43 63.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 74.15 110.831 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -84.58 -47.2 10.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 74.33 110.803 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 595' ' ' LEU . . . . . . . . . . . . . 8.5 mt -79.88 -13.81 59.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 74.41 110.881 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 596' ' ' GLY . . . . . . . . . . . . . . . 85.41 173.46 49.67 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.736 -0.745 . . . . 70.45 112.509 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.12 11.71 15.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.821 0.343 . . . . 70.14 111.153 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 598' ' ' GLY . . . . . . . . . . . . . . . -120.08 14.33 10.35 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.721 -0.752 . . . . 74.23 112.491 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 599' ' ' ARG . . . . . . . . . . . . . 56.2 mtt85 -127.88 69.63 1.33 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.853 0.358 . . . . 64.23 110.827 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 600' ' ' TRP . . . . . . . . . . . . . 12.8 m0 -59.89 -50.34 74.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 74.51 110.875 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 601' ' ' ARG . . . . . . . . . . . . . 30.1 mtm180 -52.46 -47.87 66.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.426 . . . . 73.21 110.85 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 602' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -65.31 -37.11 86.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 73.11 110.892 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 53.8 t -65.15 -31.96 56.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 75.54 111.179 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 5.9 mtmt -68.4 -49.51 59.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 71.43 110.856 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 605' ' ' MET . . . . . . . . . . . . . 22.7 mmm -73.5 -31.52 63.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 71.42 110.898 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 606' ' ' ARG . . . . . . . . . . . . . 18.9 tpp180 -73.07 -40.96 64.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 70.13 110.853 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -90.74 -70.13 0.69 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 54.54 111.061 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 608' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -70.78 125.25 26.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 74.24 110.892 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -71.47 -33.9 69.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 72.24 110.811 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 24.9 m120 -112.09 74.08 0.85 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 75.44 110.884 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 611' ' ' ALA . . . . . . . . . . . . . . . -110.3 57.85 0.61 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 72.53 111.036 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -79.65 -66.54 0.86 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.246 -0.434 . . . . 63.12 110.92 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 613' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -111.47 29.72 7.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 74.44 110.909 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 614' ' ' ARG . . . . . . . . . . . . . 39.7 ttm-85 -81.15 155.5 26.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 71.13 110.861 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 615' ' ' THR . . . . . . . . . . . . . 4.9 t -84.14 159.55 21.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 75.11 111.142 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 616' ' ' TYR . . . . . . . . . . . . . 11.6 p90 -87.16 -19.82 27.91 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.164 -0.471 . . . . 72.53 110.961 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 617' ' ' VAL . . . . . . . . . . . . . 14.3 p -71.25 -33.15 49.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.108 -0.496 . . . . 62.41 111.174 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 618' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -52.01 -50.74 60.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.457 . . . . 72.11 110.817 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 619' ' ' LEU . . . . . . . . . . . . . 1.2 pp -71.0 -31.16 67.61 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.168 -0.469 . . . . 74.0 110.927 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 620' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.65 -37.62 88.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 74.05 110.882 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -71.75 -45.77 60.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 72.35 110.899 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 43.1 tttt -55.0 -42.62 72.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 73.3 110.897 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 623' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -73.32 -44.2 59.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.295 -0.411 . . . . 73.4 110.904 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.51 -45.22 81.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.291 -0.413 . . . . 75.11 110.942 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 14.5 t -72.31 -28.99 63.43 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.191 -0.459 . . . . 75.55 111.182 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 626' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.13 -55.5 21.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 75.31 110.92 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 627' ' ' VAL . . . . . . . . . . . . . 4.2 p -59.67 -45.07 94.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 74.23 111.153 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 628' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -61.33 -26.58 67.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 74.01 110.872 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 629' ' ' THR . . . . . . . . . . . . . 3.0 m -78.5 -29.3 46.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 70.52 111.132 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -53.95 -49.59 68.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 65.12 111.038 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 10.8 t 172.58 69.67 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 71.12 110.889 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 632' ' ' ILE . . . . . . . . . . . . . 2.0 mp -129.77 -73.28 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 64.45 111.11 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 633' ' ' ALA . . . . . . . . . . . . . . . -103.52 135.32 19.39 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.538 0.685 . . . . 74.32 111.093 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 634' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.84 -29.94 22.66 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.68 2.254 . . . . 75.01 112.348 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 635' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -76.27 -13.09 60.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.25 -0.432 . . . . 65.42 110.91 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 44.3 mm-40 -79.9 -1.85 41.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.193 -0.458 . . . . 73.41 110.91 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 637' ' ' ARG . . . . . . . . . . . . . 28.0 ptt180 -84.38 134.66 34.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 73.34 110.813 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 638' ' ' ARG . . . . . . . . . . . . . 14.5 mmt180 -116.59 -16.39 10.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 72.52 110.925 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 639' ' ' GLY . . . . . . . . . . . . . . . 93.68 -30.03 7.86 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.683 -0.77 . . . . 71.32 112.507 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 640' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -52.04 160.76 1.1 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.704 0.764 . . . . 74.54 110.851 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 121.74 8.42 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.668 2.246 . . . . 70.41 112.339 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 642' ' ' VAL . . . . . . . . . . . . . 2.1 p -126.84 131.2 23.78 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.545 0.688 . . . . 75.34 111.114 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 128.71 16.39 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.649 2.233 . . . . 75.4 112.34 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -71.0 -19.51 62.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 64.42 110.87 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -70.12 -38.54 75.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 72.45 110.816 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 646' ' ' LEU . . . . . . . . . . . . . 44.5 mt -75.48 -43.44 49.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 73.23 110.889 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 647' ' ' LEU . . . . . . . . . . . . . 63.4 mt -65.28 -41.49 94.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 74.24 110.907 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -71.86 -35.18 69.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.22 -0.445 . . . . 71.44 110.846 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 12.5 mmt85 -72.9 -48.8 34.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 74.53 110.896 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 650' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -56.98 -33.41 42.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 73.1 111.136 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 3.6 mp -72.2 -40.69 67.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 73.14 110.877 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -54.45 -51.59 64.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 73.54 111.057 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -72.18 -47.09 53.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.275 -0.42 . . . . 74.33 111.082 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 654' ' ' HIS . . . . . . . . . . . . . 63.6 t60 -53.82 -43.36 69.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 64.24 110.803 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -77.39 -47.08 20.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 70.33 111.096 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 71.5 t80 -53.99 -50.3 66.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 72.35 110.949 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 657' ' ' TRP . . . . . . . . . . . . . 68.3 m95 -71.06 -33.29 70.12 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.104 -0.498 . . . . 73.11 110.905 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 2.3 t -56.91 -32.56 66.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 72.22 110.888 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 659' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -56.97 -24.5 53.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 75.51 110.878 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -89.28 -46.4 8.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 71.2 110.953 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -134.95 148.83 50.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 73.4 110.932 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 662' ' ' GLY . . . . . . . . . . . . . . . -109.69 170.21 14.19 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.728 -0.748 . . . . 74.42 112.471 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -176.11 144.28 0.58 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.742 0.306 . . . . 75.54 110.956 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -137.33 170.25 16.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 72.03 110.949 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 665' ' ' HIS . . . . . . . . . . . . . 10.8 t60 -175.05 163.62 3.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 71.33 110.888 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 666' ' ' VAL . . . . . . . . . . . . . 23.5 m -93.99 -174.45 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 75.3 111.12 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -129.95 157.54 76.57 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.57 0.7 . . . . 73.14 110.864 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 668' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.85 -170.84 0.42 Allowed 'Trans proline' 0 C--O 1.233 0.229 0 C-N-CA 122.659 2.239 . . . . 75.34 112.309 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 669' ' ' LEU . . . . . . . . . . . . . 17.9 tp -128.35 159.5 35.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 73.02 110.86 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 670' ' ' LYS . . . . . . . . . . . . . 17.5 ptmt -120.75 179.76 4.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 74.41 110.877 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 671' ' ' ILE . . . . . . . . . . . . . 41.2 pt -139.9 -176.51 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 75.1 111.192 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -123.57 133.28 53.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 73.42 110.86 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 673' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -82.93 -63.41 1.37 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 73.2 110.864 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . 62.54 55.08 2.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 65.21 111.127 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 16.3 ptmt -93.46 176.38 6.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 74.13 110.915 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . -167.86 167.87 12.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 64.24 111.12 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -175.53 176.93 1.86 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 53.51 110.939 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 678' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.62 52.95 2.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 75.41 110.924 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 679' ' ' VAL . . . . . . . . . . . . . 27.6 m -69.58 -31.99 51.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 74.34 111.171 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 680' ' ' GLY . . . . . . . . . . . . . . . 171.36 -170.99 43.76 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.683 -0.77 . . . . 72.14 112.484 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 681' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-O 120.798 0.332 . . . . 74.12 111.087 -179.992 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 561' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 C--O 1.231 0.141 0 CA-C-O 120.873 0.28 . . . . 75.15 112.3 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 562' ' ' VAL . . . . . . . . . . . . . 64.3 t -121.17 82.61 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 72.42 111.163 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 563' ' ' ASN . . . . . . . . . . . . . 25.8 m-80 -144.07 105.7 4.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.088 -0.505 . . . . 73.31 110.866 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -151.47 110.39 3.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 73.33 110.9 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 565' ' ' LYS . . . . . . . . . . . . . 22.1 ttmt -157.71 110.99 2.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 72.3 110.887 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 1.8 p -119.2 111.22 17.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 65.41 110.868 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 567' ' ' LYS . . . . . . . . . . . . . 16.2 mmmt -117.04 -69.64 0.84 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 73.02 110.908 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 61.5 mmt-85 -79.32 97.66 6.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 74.3 110.873 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 4.1 m -101.29 125.46 47.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 71.04 110.848 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -152.46 119.95 6.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.105 -0.498 . . . . 64.14 110.874 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 3.5 pp -116.1 144.15 44.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 75.32 110.89 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 90.0 p -145.18 103.56 3.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 72.3 110.886 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 573' ' ' GLN . . . . . . . . . . . . . 19.8 mm-40 -89.85 -174.28 4.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 74.33 110.937 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 574' ' ' ARG . . . . . . . . . . . . . 84.0 mtm180 -95.58 25.42 4.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 74.51 110.863 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 28.2 mtp85 -144.32 178.99 7.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 75.53 110.867 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 576' ' ' ILE . . . . . . . . . . . . . 10.8 tp -102.42 -24.15 4.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 75.44 111.15 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 28.7 mmt180 -65.61 149.32 50.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 74.14 110.923 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 578' ' ' ARG . . . . . . . . . . . . . 13.5 mtp85 -119.96 160.0 44.62 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.607 0.718 . . . . 73.34 110.92 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.8 80.32 0.9 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.679 2.253 . . . . 64.23 112.311 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 580' ' ' PHE . . . . . . . . . . . . . 7.2 p90 -92.56 143.94 25.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 74.12 110.866 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 1.5 m -109.74 178.78 4.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 63.23 110.943 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 582' ' ' VAL . . . . . . . . . . . . . 93.2 t -53.08 -39.14 31.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 75.32 111.159 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -69.42 -47.11 65.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.12 -0.491 . . . . 74.22 111.07 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 584' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -60.39 -54.89 40.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.453 . . . . 73.11 110.877 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 585' ' ' VAL . . . . . . . . . . . . . 21.5 t -58.05 -34.2 48.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 74.13 111.171 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -61.16 -51.51 68.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 62.53 110.899 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 587' ' ' ALA . . . . . . . . . . . . . . . -65.16 -29.5 70.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.48 . . . . 75.41 111.083 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 588' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.06 -55.07 13.86 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.234 -0.439 . . . . 74.25 110.898 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 589' ' ' VAL . . . . . . . . . . . . . 7.4 p -69.01 -44.18 81.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 75.3 111.166 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -51.36 -48.04 62.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.455 . . . . 74.32 110.934 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -67.89 -35.92 79.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.089 -0.505 . . . . 75.54 111.079 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 592' ' ' VAL . . . . . . . . . . . . . 15.3 t -69.88 -27.23 32.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 75.4 111.151 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.54 -36.45 63.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 71.42 110.877 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -85.91 -48.04 9.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 74.41 110.816 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 595' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -80.11 -24.4 40.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.261 -0.427 . . . . 74.23 110.897 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 596' ' ' GLY . . . . . . . . . . . . . . . 86.22 -171.41 44.16 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.652 -0.785 . . . . 71.44 112.397 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 5.4 p -98.77 32.47 2.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.801 0.334 . . . . 63.11 111.172 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 598' ' ' GLY . . . . . . . . . . . . . . . -134.27 4.19 4.48 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.696 -0.764 . . . . 55.43 112.531 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 599' ' ' ARG . . . . . . . . . . . . . 42.1 mtt85 -133.84 84.29 2.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.856 0.36 . . . . 75.24 110.864 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 600' ' ' TRP . . . . . . . . . . . . . 9.7 m0 -69.62 -50.84 40.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 75.24 110.979 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 601' ' ' ARG . . . . . . . . . . . . . 24.3 ptt180 -53.4 -47.68 69.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 75.34 110.873 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 602' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -60.98 -39.5 89.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.293 -0.412 . . . . 73.34 110.882 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 32.9 t -59.1 -33.23 49.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 74.21 111.092 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 14.0 tptp -69.44 -45.35 69.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 73.4 110.977 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 605' ' ' MET . . . . . . . . . . . . . 29.3 mtt -72.38 -31.52 65.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 75.04 110.827 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 606' ' ' ARG . . . . . . . . . . . . . 17.7 tpp180 -78.23 -40.47 37.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.202 -0.454 . . . . 75.11 110.859 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -80.34 -70.49 0.52 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 53.13 111.076 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 608' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -72.18 123.88 23.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 72.33 110.914 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -73.68 -35.17 65.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 74.3 110.824 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 25.6 t30 -138.65 65.79 1.45 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 63.11 110.829 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 611' ' ' ALA . . . . . . . . . . . . . . . -69.38 -21.32 63.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 64.12 111.131 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 63.9 15.58 9.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 74.23 110.826 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 613' ' ' HIS . . . . . . . . . . . . . 3.5 p80 179.08 171.02 0.9 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 73.35 110.892 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 614' ' ' ARG . . . . . . . . . . . . . 41.2 ttp180 -111.39 101.43 9.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 73.11 110.88 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 615' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -102.56 167.73 9.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 64.14 111.131 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 616' ' ' TYR . . . . . . . . . . . . . 10.4 p90 -140.63 -40.42 0.41 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 75.45 110.936 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 617' ' ' VAL . . . . . . . . . . . . . 10.1 p -70.84 -33.79 53.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 74.44 111.185 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 618' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.14 -51.87 67.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 74.31 110.816 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 619' ' ' LEU . . . . . . . . . . . . . 1.8 pp -74.7 -27.73 60.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.256 -0.429 . . . . 60.41 110.943 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 620' ' ' LYS . . . . . . . . . . . . . 21.3 ttpp -70.07 -35.95 74.59 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.205 -0.452 . . . . 74.0 110.854 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -71.5 -47.05 57.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 71.54 110.881 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.59 -30.37 71.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 73.5 110.904 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 623' ' ' TRP . . . . . . . . . . . . . 1.5 t90 -71.36 -55.03 8.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 71.35 110.969 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 4.7 tmtt? -50.62 -49.06 57.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 63.52 110.89 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 11.3 t -64.42 -30.96 71.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 65.22 111.08 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 626' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.85 -53.81 48.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.264 -0.425 . . . . 75.53 110.965 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 627' ' ' VAL . . . . . . . . . . . . . 76.9 t -55.51 -53.95 30.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.102 -0.499 . . . . 75.41 111.133 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 628' ' ' HIS . . . . . 0.413 ' HA ' ' HB ' ' A' ' 632' ' ' ILE . 10.6 m80 -52.4 -35.77 52.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.168 -0.469 . . . . 74.32 110.868 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 629' ' ' THR . . . . . . . . . . . . . 26.4 m -67.66 -29.98 69.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 74.32 111.151 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -53.69 -48.9 69.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 62.03 111.052 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 1.1 p 168.66 67.27 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.244 -0.435 . . . . 72.03 110.893 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 632' ' ' ILE . . . . . 0.413 ' HB ' ' HA ' ' A' ' 628' ' ' HIS . 2.3 mp -125.24 -77.04 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 64.43 111.133 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 633' ' ' ALA . . . . . . . . . . . . . . . -104.38 133.34 20.26 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.582 0.706 . . . . 62.21 111.073 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 634' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -27.2 26.75 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.668 2.245 . . . . 74.24 112.367 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 635' ' ' GLN . . . . . . . . . . . . . 23.4 pt20 -77.64 -12.88 60.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.254 -0.43 . . . . 71.44 110.886 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 13.2 mm-40 -79.45 -11.03 59.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 74.21 110.967 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 637' ' ' ARG . . . . . . . . . . . . . 60.0 mtp180 -84.59 114.14 21.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.115 -0.493 . . . . 72.35 110.876 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 638' ' ' ARG . . . . . . . . . . . . . 1.8 tpp180 -84.88 -75.72 0.34 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.217 -0.447 . . . . 75.31 110.88 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 639' ' ' GLY . . . . . . . . . . . . . . . -177.35 -40.99 0.06 OUTLIER Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.768 -0.729 . . . . 75.03 112.457 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 640' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -50.96 137.07 26.83 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.668 0.746 . . . . 64.14 110.901 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.83 121.59 8.26 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.685 2.256 . . . . 73.2 112.368 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 642' ' ' VAL . . . . . . . . . . . . . 11.8 t -108.39 133.23 20.65 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.54 0.685 . . . . 73.43 111.165 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 128.7 16.41 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.696 2.264 . . . . 63.5 112.369 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -63.14 -19.7 64.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.25 -0.432 . . . . 63.14 110.874 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -62.78 -44.43 96.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 64.22 110.878 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 646' ' ' LEU . . . . . . . . . . . . . 43.7 mt -75.21 -44.89 43.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 75.43 110.937 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 647' ' ' LEU . . . . . . . . . . . . . 45.2 mt -62.13 -38.13 87.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 71.44 110.922 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -73.25 -30.77 63.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 73.43 110.863 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 14.1 mtt180 -73.64 -48.97 28.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 72.01 110.904 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 650' ' ' VAL . . . . . . . . . . . . . 1.4 p -61.5 -33.07 55.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 73.41 111.131 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 15.4 mt -71.16 -39.74 71.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 72.21 110.898 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -68.52 -42.62 78.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 53.43 111.082 179.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -71.61 -49.57 38.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.255 -0.429 . . . . 74.44 111.148 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 654' ' ' HIS . . . . . . . . . . . . . 17.3 t-80 -55.42 -45.19 76.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.283 -0.417 . . . . 75.13 110.828 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -71.25 -46.87 60.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.431 . . . . 72.52 111.065 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 75.6 t80 -56.46 -49.29 75.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 74.11 110.994 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 657' ' ' TRP . . . . . . . . . . . . . 68.0 m95 -70.15 -35.94 74.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.113 -0.494 . . . . 75.32 110.965 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 12.4 t -54.05 -37.12 63.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 72.11 110.841 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 659' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -57.01 -24.43 53.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.076 -0.511 . . . . 65.41 110.876 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 18.9 mm100 -125.47 39.78 3.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 71.5 110.928 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 42.5 tp60 -146.22 160.65 41.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 74.52 110.864 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 662' ' ' GLY . . . . . . . . . . . . . . . -103.88 -175.39 25.7 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.675 -0.774 . . . . 74.33 112.479 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 19.4 mtmt 52.22 71.36 0.47 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.685 0.279 . . . . 73.22 110.929 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.09 166.69 18.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 74.23 110.947 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 665' ' ' HIS . . . . . . . . . . . . . 47.8 m80 -108.19 -71.0 0.78 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.447 . . . . 75.2 110.78 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 666' ' ' VAL . . . . . . . . . . . . . 12.3 p -76.75 150.74 6.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 73.21 111.148 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.4 160.96 80.1 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.648 0.737 . . . . 72.14 110.867 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 668' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.69 -31.35 20.99 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.745 2.296 . . . . 72.01 112.289 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 669' ' ' LEU . . . . . . . . . . . . . 25.7 mt 62.31 17.57 9.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 75.52 110.95 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 670' ' ' LYS . . . . . . . . . . . . . 55.1 tttm -148.77 154.03 38.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.164 -0.471 . . . . 72.43 110.891 179.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 671' ' ' ILE . . . . . . . . . . . . . 28.2 pt -61.86 145.49 13.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 74.21 111.1 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -115.29 172.77 6.88 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.173 -0.467 . . . . 74.41 110.943 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 673' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -174.97 140.86 0.55 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.152 -0.476 . . . . 65.21 110.861 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -178.64 141.53 0.21 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 63.4 111.123 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.11 115.45 0.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 60.33 110.818 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . -136.4 123.88 22.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.478 . . . . 72.14 111.123 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -173.86 150.56 1.67 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 60.54 110.914 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 678' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -118.2 135.52 54.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.222 -0.444 . . . . 74.32 110.959 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 679' ' ' VAL . . . . . . . . . . . . . 8.4 p -142.53 132.06 22.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 72.41 111.115 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 680' ' ' GLY . . . . . . . . . . . . . . . -129.48 134.19 7.83 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.776 -0.726 . . . . 74.35 112.487 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 681' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-O 120.742 0.306 . . . . 63.11 111.098 179.976 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 561' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 N--CA 1.465 -0.168 0 CA-C-O 120.828 0.262 . . . . 72.24 112.361 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 562' ' ' VAL . . . . . . . . . . . . . 9.2 m -111.12 -27.65 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.271 -0.422 . . . . 73.22 111.124 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 563' ' ' ASN . . . . . . . . . . . . . 6.4 p-10 40.94 40.67 1.06 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.485 . . . . 75.25 110.928 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -96.29 113.23 24.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 75.4 110.928 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 565' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.62 107.62 18.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 74.03 110.854 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 3.6 p -99.5 116.24 31.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 74.13 110.851 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 567' ' ' LYS . . . . . . . . . . . . . 26.5 tttp -125.0 85.02 2.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 73.43 110.81 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 15.7 ptp180 -141.26 -177.15 4.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 74.44 110.894 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 2.1 t -88.15 139.63 30.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 55.42 110.845 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -123.0 43.71 2.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.121 -0.491 . . . . 72.53 110.9 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 17.3 mt -116.81 134.83 54.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 73.34 110.966 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 37.3 p -79.25 159.76 27.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 73.4 110.908 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 573' ' ' GLN . . . . . . . . . . . . . 45.3 mm-40 -64.72 106.55 1.22 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 74.5 110.862 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 574' ' ' ARG . . . . . . . . . . . . . 74.6 mtm-85 -132.11 173.96 10.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 65.1 110.887 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 16.4 ttp180 -119.91 164.35 16.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 74.52 110.837 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 576' ' ' ILE . . . . . . . . . . . . . 5.3 mp -94.61 -55.83 5.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 73.32 111.181 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 35.4 ttm180 -70.28 108.25 4.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 74.52 110.919 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 578' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -88.13 160.19 46.5 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.629 0.728 . . . . 75.2 110.902 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -170.92 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.788 2.325 . . . . 73.13 112.302 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 580' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -86.96 144.22 27.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 74.34 110.868 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 74.1 m -73.99 160.77 30.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 71.54 110.818 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 582' ' ' VAL . . . . . . . . . . . . . 29.3 m -53.41 -34.31 22.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 75.32 111.116 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -64.0 -46.11 86.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 73.33 111.106 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 584' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -71.22 -47.97 54.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.177 -0.465 . . . . 73.42 110.872 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 585' ' ' VAL . . . . . . . . . . . . . 98.4 t -54.52 -34.71 29.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 73.51 111.155 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -53.25 -48.73 67.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 72.12 110.872 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 587' ' ' ALA . . . . . . . . . . . . . . . -58.78 -43.54 90.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 64.44 111.102 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 588' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -55.53 -46.83 77.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 73.44 110.917 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 589' ' ' VAL . . . . . 0.476 ' O ' HG12 ' A' ' 592' ' ' VAL . 29.0 t -71.64 -55.87 12.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 73.32 111.119 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -53.0 -30.53 35.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 74.11 110.861 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -76.11 -48.78 19.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.131 -0.486 . . . . 63.32 111.116 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 592' ' ' VAL . . . . . 0.476 HG12 ' O ' ' A' ' 589' ' ' VAL . 9.3 p -74.13 -22.26 18.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 72.32 111.149 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -72.33 -42.76 65.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 74.02 110.883 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 4.7 t-80 -82.54 -44.78 15.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 70.31 110.828 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 595' ' ' LEU . . . . . . . . . . . . . 8.3 mt -79.85 -18.05 51.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 75.14 110.927 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 596' ' ' GLY . . . . . . . . . . . . . . . 85.42 -179.77 50.55 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.819 -0.705 . . . . 62.54 112.509 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 2.6 p -92.72 27.9 2.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.844 0.354 . . . . 73.24 111.129 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 598' ' ' GLY . . . . . . . . . . . . . . . -126.21 -5.43 6.16 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.777 -0.725 . . . . 73.41 112.499 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 599' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.33 79.78 1.71 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.762 0.315 . . . . 72.02 110.889 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 600' ' ' TRP . . . . . . . . . . . . . 5.0 m0 -69.68 -43.04 73.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.243 -0.435 . . . . 75.11 110.884 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 601' ' ' ARG . . . . . . . . . . . . . 18.6 ttm180 -52.76 -49.09 66.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.274 -0.421 . . . . 71.41 110.914 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 602' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -66.78 -31.51 72.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 72.11 110.847 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 40.2 t -65.85 -35.79 75.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 74.22 111.078 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 16.8 tptp -69.07 -46.33 68.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 73.44 110.911 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 605' ' ' MET . . . . . . . . . . . . . 11.8 mmm -72.48 -31.46 65.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 73.34 110.932 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 606' ' ' ARG . . . . . . . . . . . . . 18.5 tpp180 -77.09 -40.34 46.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 74.23 110.825 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -80.81 -66.86 0.83 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.286 -0.415 . . . . 72.44 111.125 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 608' ' ' PHE . . . . . . . . . . . . . 69.2 m-85 -71.05 124.73 25.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 74.14 110.909 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -71.94 -34.27 68.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.076 -0.511 . . . . 73.4 110.85 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 23.9 m120 -125.72 75.82 1.52 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 71.45 110.935 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 611' ' ' ALA . . . . . . . . . . . . . . . -107.16 84.4 1.97 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 45.41 111.02 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 47.2 m-20 -51.67 -55.25 20.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 45.24 110.912 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 613' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -97.56 126.73 43.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.166 -0.47 . . . . 73.23 110.789 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 614' ' ' ARG . . . . . . . . . . . . . 11.1 mtp180 -72.18 102.98 3.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 74.44 110.862 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 615' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.43 158.16 16.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 75.43 111.126 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 616' ' ' TYR . . . . . . . . . . . . . 15.7 p90 -128.56 -37.93 1.76 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 74.13 110.92 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 617' ' ' VAL . . . . . . . . . . . . . 10.5 p -69.01 -33.38 58.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.082 -0.508 . . . . 71.12 111.138 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 618' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.07 -51.18 67.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 74.51 110.835 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 619' ' ' LEU . . . . . . . . . . . . . 3.6 pp -73.07 -37.87 66.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 75.52 110.933 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 620' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -66.63 -33.6 76.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 72.35 110.894 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -68.35 -49.3 61.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 74.23 110.842 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.63 -43.97 80.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 72.53 110.835 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 623' ' ' TRP . . . . . 0.402 ' CZ3' HG13 ' A' ' 592' ' ' VAL . 14.6 t-105 -64.34 -45.18 88.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 73.43 110.903 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -49.33 -51.49 34.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 73.2 110.896 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 11.2 t -72.22 -27.32 62.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.246 -0.434 . . . . 70.44 111.191 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 626' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.05 -55.58 24.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 74.23 110.925 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 627' ' ' VAL . . . . . . . . . . . . . 4.1 p -59.92 -44.7 95.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 75.51 111.103 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 628' ' ' HIS . . . . . . . . . . . . . 3.3 m170 -60.19 -26.84 66.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 75.22 110.851 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 629' ' ' THR . . . . . . . . . . . . . 17.4 m -77.46 -29.45 52.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.173 -0.467 . . . . 75.1 111.206 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -53.13 -48.27 68.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 64.34 111.075 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 172.66 67.66 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 52.43 110.858 -179.799 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 632' ' ' ILE . . . . . . . . . . . . . 2.3 mp -130.75 -73.7 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 71.33 111.106 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 633' ' ' ALA . . . . . . . . . . . . . . . -103.11 139.22 19.91 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.546 0.688 . . . . 55.41 111.135 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 634' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.65 -39.1 7.13 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.685 2.257 . . . . 73.45 112.39 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 635' ' ' GLN . . . . . . . . . . . . . 27.9 pt20 -73.46 -13.34 61.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 73.1 110.942 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 84.2 mm-40 -80.47 -28.89 37.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 63.43 110.961 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 637' ' ' ARG . . . . . . . . . . . . . 24.7 ttp180 -84.57 113.64 21.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 72.13 110.851 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 638' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.1 -169.81 0.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 74.13 110.887 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 639' ' ' GLY . . . . . . . . . . . . . . . 66.22 -158.93 47.83 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.778 -0.725 . . . . 72.4 112.491 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 640' ' ' GLU . . . . . . . . . . . . . 2.7 pm0 -51.92 153.34 4.57 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.629 0.728 . . . . 75.41 110.882 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.66 122.12 8.83 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.778 2.319 . . . . 71.14 112.319 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 642' ' ' VAL . . . . . . . . . . . . . 12.1 m -95.43 139.19 21.87 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.571 0.701 . . . . 73.44 111.115 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 128.78 16.59 Favored 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.713 2.275 . . . . 72.11 112.428 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -62.18 -18.57 61.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 75.33 110.868 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -65.58 -42.48 91.7 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.22 -0.446 . . . . 72.14 110.904 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 646' ' ' LEU . . . . . . . . . . . . . 38.6 mt -74.31 -48.82 25.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 73.42 110.835 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 647' ' ' LEU . . . . . . . . . . . . . 55.9 mt -54.09 -41.31 68.11 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.219 -0.446 . . . . 62.43 110.967 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -64.55 -49.64 70.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 70.3 110.821 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 3.4 mmm180 -62.55 -39.77 94.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 74.45 110.863 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 650' ' ' VAL . . . . . . . . . . . . . 75.2 t -58.78 -51.37 72.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 63.23 111.106 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 14.4 mt -61.37 -25.35 67.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 73.13 110.895 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -64.99 -51.76 59.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 72.53 111.092 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -72.07 -44.54 63.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 74.04 111.091 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 654' ' ' HIS . . . . . . . . . . . . . 13.7 t-80 -54.12 -44.69 71.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.311 -0.404 . . . . 74.41 110.879 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -77.51 -47.11 20.4 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.155 -0.475 . . . . 60.02 111.069 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -54.03 -50.38 66.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 74.43 110.883 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 657' ' ' TRP . . . . . . . . . . . . . 69.2 m95 -71.05 -32.75 69.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.165 -0.471 . . . . 70.24 110.919 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 2.4 t -56.57 -35.26 67.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.271 -0.422 . . . . 75.31 110.873 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 659' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -57.47 -26.22 60.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 75.15 110.904 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 14.9 mm-40 -92.01 -59.88 2.0 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 74.2 110.931 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -74.29 -176.3 2.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 74.41 110.938 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 662' ' ' GLY . . . . . . . . . . . . . . . -62.62 -166.28 0.59 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.73 -0.748 . . . . 74.11 112.445 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.19 179.46 8.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.676 0.274 . . . . 74.04 110.914 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -151.55 179.26 8.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.27 -0.423 . . . . 72.24 110.905 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 665' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -52.37 107.3 0.2 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 72.41 110.826 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 666' ' ' VAL . . . . . . . . . . . . . 7.2 p -172.8 144.84 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.226 -0.443 . . . . 61.44 111.142 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -80.89 160.55 66.08 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.629 0.728 . . . . 73.51 110.932 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 668' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 173.69 10.6 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.716 2.277 . . . . 70.2 112.317 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 669' ' ' LEU . . . . . . . . . . . . . 2.0 tp -174.22 157.25 2.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 75.23 110.886 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 670' ' ' LYS . . . . . . . . . . . . . 8.0 mmmm -88.92 139.03 30.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.49 . . . . 72.25 110.887 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 671' ' ' ILE . . . . . . . . . . . . . 65.9 mt -101.56 145.28 11.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.458 . . . . 75.23 111.157 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 9.4 tp -119.56 146.17 45.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 71.23 110.94 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 673' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -155.47 161.34 40.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 64.41 110.886 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -145.21 168.01 21.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 52.1 111.099 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 14.2 ttmt -137.15 113.05 9.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 73.23 110.884 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . -83.75 148.21 27.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 75.23 111.037 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -109.77 -179.5 3.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 64.2 110.897 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 678' ' ' LYS . . . . . . . . . . . . . 22.4 tptt -167.3 141.3 3.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 72.23 110.861 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 679' ' ' VAL . . . . . . . . . . . . . 14.4 p -100.29 147.37 7.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 74.41 111.187 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 680' ' ' GLY . . . . . . . . . . . . . . . -109.17 -69.59 0.64 Allowed Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.753 -0.737 . . . . 61.44 112.415 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 681' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.34 0 CA-C-O 120.74 0.305 . . . . 74.23 111.032 -179.963 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 561' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.766 0.236 . . . . 75.43 112.383 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 562' ' ' VAL . . . . . . . . . . . . . 7.3 m -151.84 113.81 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 73.45 111.151 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 563' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -129.74 80.71 1.98 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.142 -0.481 . . . . 71.03 110.861 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -56.32 123.17 13.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 75.13 110.923 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 565' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.77 100.08 9.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 74.02 110.95 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 24.0 p -121.37 120.06 33.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 74.04 110.823 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 567' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.67 168.09 20.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.091 -0.504 . . . . 70.14 110.834 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 16.2 ptt180 -132.43 178.23 6.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 72.23 110.845 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 19.7 m -104.0 137.16 42.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.211 -0.449 . . . . 75.34 110.831 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -95.15 138.57 32.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 74.53 110.921 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 13.6 mt -91.03 123.58 34.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 73.13 110.936 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 11.9 t -88.63 -178.27 5.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 61.43 110.853 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 573' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -114.66 -38.58 3.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 75.2 110.903 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 574' ' ' ARG . . . . . . . . . . . . . 49.4 mtm180 -81.92 143.53 31.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 74.54 110.875 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 72.3 mtp85 -151.98 53.01 0.81 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 74.43 110.842 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 576' ' ' ILE . . . . . . . . . . . . . 6.8 pt -135.0 138.57 48.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 72.41 111.105 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 13.6 mmt180 -145.4 -175.74 4.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 73.13 110.892 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 578' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -105.27 155.54 37.66 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.569 0.699 . . . . 71.23 110.91 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.82 83.38 0.71 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.601 2.2 . . . . 74.22 112.377 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 580' ' ' PHE . . . . . . . . . . . . . 10.1 p90 -92.36 140.74 29.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 72.11 110.972 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 41.2 m -109.03 -179.39 3.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 71.44 110.878 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 582' ' ' VAL . . . . . . . . . . . . . 14.0 m -51.77 -37.57 20.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 74.42 111.141 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -69.03 -43.68 74.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 64.33 111.088 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 584' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -65.82 -55.24 18.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 74.11 110.843 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 585' ' ' VAL . . . . . . . . . . . . . 80.6 t -54.68 -34.03 28.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.475 . . . . 74.33 111.149 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -56.3 -38.93 71.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 72.51 110.889 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 587' ' ' ALA . . . . . . . . . . . . . . . -68.16 -34.12 75.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.108 -0.496 . . . . 61.42 111.054 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 588' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -68.68 -55.0 12.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 74.34 110.832 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 589' ' ' VAL . . . . . 0.42 ' HA ' HG12 ' A' ' 592' ' ' VAL . 4.2 p -62.71 -48.27 88.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 74.33 111.141 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 63.0 mt-10 -58.66 -30.27 67.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 64.13 110.896 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -73.87 -43.91 57.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 75.14 111.037 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 592' ' ' VAL . . . . . 0.42 HG12 ' HA ' ' A' ' 589' ' ' VAL . 7.2 p -75.94 -25.85 17.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 74.02 111.097 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.32 -41.96 65.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 75.35 110.898 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 64.4 t-80 -84.54 -46.63 11.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 75.1 110.898 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 595' ' ' LEU . . . . . . . . . . . . . 9.6 mt -79.49 -15.97 56.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 74.35 110.909 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 596' ' ' GLY . . . . . . . . . . . . . . . 79.15 165.31 29.45 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.772 -0.728 . . . . 73.43 112.452 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 16.9 p -72.94 -7.0 49.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.824 0.345 . . . . 74.35 111.086 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 598' ' ' GLY . . . . . . . . . . . . . . . -98.62 18.18 57.3 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.748 -0.739 . . . . 64.53 112.449 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 599' ' ' ARG . . . . . . . . . . . . . 38.5 mtt85 -137.87 64.76 1.5 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.801 0.334 . . . . 75.4 110.873 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 600' ' ' TRP . . . . . . . . . . . . . 21.4 m0 -59.85 -50.77 72.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.163 -0.471 . . . . 75.31 110.891 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 601' ' ' ARG . . . . . . . . . . . . . 15.4 ptt180 -53.29 -46.74 69.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 71.41 110.849 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 602' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -63.25 -34.53 77.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 74.11 110.871 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 66.9 t -65.34 -31.94 56.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 74.5 111.153 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.92 -49.33 59.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 75.51 110.865 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 605' ' ' MET . . . . . . . . . . . . . 19.0 ptp -73.32 -31.31 63.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.275 -0.421 . . . . 74.44 110.854 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 606' ' ' ARG . . . . . . . . . . . . . 18.7 tpp85 -71.82 -41.01 68.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 75.34 110.878 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -92.02 -69.91 0.72 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 54.13 111.106 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 608' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -70.78 125.33 26.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 75.42 110.869 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -71.61 -34.0 69.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 74.11 110.857 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 57.8 m-80 -105.49 76.54 1.22 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 74.14 110.833 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 611' ' ' ALA . . . . . . . . . . . . . . . -127.37 99.48 5.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.478 . . . . 73.11 111.139 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -129.11 -66.63 0.81 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 74.54 110.848 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 613' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -110.69 29.27 7.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 74.14 110.892 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 614' ' ' ARG . . . . . . . . . . . . . 2.7 tpm_? -97.42 156.27 16.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 74.33 110.885 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 615' ' ' THR . . . . . . . . . . . . . 4.6 t -74.67 158.16 34.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 73.23 111.125 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 616' ' ' TYR . . . . . . . . . . . . . 14.0 p90 -91.61 -18.72 23.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 72.35 110.926 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 617' ' ' VAL . . . . . . . . . . . . . 12.7 p -51.35 -32.88 13.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 71.24 111.149 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 618' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.16 -50.93 71.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 64.12 110.842 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 619' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -75.15 -28.67 60.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.16 -0.473 . . . . 75.32 110.884 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 620' ' ' LYS . . . . . . . . . . . . . 3.7 ttpm? -70.6 -35.39 72.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.247 -0.433 . . . . 74.41 110.865 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -71.86 -48.81 43.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 74.44 110.82 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -55.14 -44.03 74.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 74.45 110.865 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 623' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -67.88 -47.59 68.45 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.275 -0.42 . . . . 74.43 110.905 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 6.6 tttp -56.34 -55.28 35.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 73.34 110.889 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 12.8 t -60.73 -30.9 70.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 71.41 111.168 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 626' ' ' LEU . . . . . . . . . . . . . 3.4 mt -65.0 -47.28 78.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 74.2 110.952 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 627' ' ' VAL . . . . . . . . . . . . . 87.7 t -58.63 -55.06 25.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.244 -0.434 . . . . 55.13 111.15 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 628' ' ' HIS . . . . . . . . . . . . . 23.4 m80 -52.81 -33.91 51.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 70.13 110.844 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 629' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -79.31 -28.81 42.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 73.14 111.225 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -51.81 -49.66 62.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 73.41 111.052 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 13.1 t 173.66 67.12 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 63.23 110.881 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 632' ' ' ILE . . . . . . . . . . . . . 2.7 mp -135.35 -74.39 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.063 -0.517 . . . . 70.11 111.127 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 633' ' ' ALA . . . . . . . . . . . . . . . -103.06 143.89 27.53 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.558 0.694 . . . . 62.11 111.126 179.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 634' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -47.88 0.85 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.766 2.311 . . . . 74.43 112.363 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 635' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -72.43 -13.67 61.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.213 -0.448 . . . . 73.1 110.897 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 51.8 mm-40 -81.05 0.33 36.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 75.54 110.884 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 637' ' ' ARG . . . . . . . . . . . . . 48.8 ttp180 -76.1 113.82 14.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.273 -0.422 . . . . 74.21 110.846 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 638' ' ' ARG . . . . . . . . . . . . . 1.5 mmt-85 -52.67 132.32 35.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.231 -0.44 . . . . 72.42 110.881 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 639' ' ' GLY . . . . . . . . . . . . . . . -59.37 -19.88 48.75 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.786 -0.721 . . . . 73.55 112.458 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 640' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -93.27 160.08 34.03 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-O 121.608 0.718 . . . . 73.4 110.882 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 123.25 9.91 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.627 2.218 . . . . 71.44 112.419 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 642' ' ' VAL . . . . . . . . . . . . . 4.5 m -114.45 139.66 24.19 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.508 0.67 . . . . 74.23 111.191 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 128.5 16.11 Favored 'Trans proline' 0 C--N 1.34 0.131 0 C-N-CA 122.694 2.263 . . . . 75.51 112.31 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -66.4 -17.93 65.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.443 . . . . 74.2 110.863 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -69.02 -40.18 78.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 72.42 110.857 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 646' ' ' LEU . . . . . . . . . . . . . 44.0 mt -73.44 -53.84 9.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 75.12 110.923 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 647' ' ' LEU . . . . . . . . . . . . . 40.9 mt -53.2 -32.59 48.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.249 -0.432 . . . . 73.31 110.865 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -69.95 -46.75 64.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 74.23 110.894 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 20.2 mmt180 -65.82 -40.67 92.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 75.35 110.839 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 650' ' ' VAL . . . . . . . . . . . . . 70.0 t -57.56 -48.24 83.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 71.3 111.126 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 22.0 mt -65.74 -28.75 69.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 72.13 110.93 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -67.59 -48.8 65.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 72.54 111.106 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -73.25 -44.83 58.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.261 -0.427 . . . . 71.33 111.068 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 654' ' ' HIS . . . . . . . . . . . . . 62.6 t60 -53.08 -47.6 68.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.258 -0.428 . . . . 73.42 110.856 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -70.17 -45.24 67.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 74.41 111.125 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 72.5 t80 -55.7 -50.07 71.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 65.32 110.878 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 657' ' ' TRP . . . . . . . . . . . . . 58.5 m95 -70.24 -37.19 74.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.071 -0.513 . . . . 75.05 110.924 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 2.8 t -56.05 -32.46 64.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 73.02 110.843 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 659' ' ' GLN . . . . . . . . . . . . . 40.7 tt0 -58.95 -23.21 61.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 72.33 110.973 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 59.26 57.68 3.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 72.45 110.935 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -61.54 -172.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.426 . . . . 65.22 110.887 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 662' ' ' GLY . . . . . . . . . . . . . . . -56.39 100.28 0.1 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.699 -0.762 . . . . 64.32 112.532 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 28.3 pttt -173.99 -171.58 0.65 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.751 0.31 . . . . 73.34 110.884 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -98.07 -176.44 3.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 74.13 110.93 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 665' ' ' HIS . . . . . . . . . . . . . 8.0 p-80 -144.5 -176.93 5.24 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.168 -0.469 . . . . 71.21 110.828 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 666' ' ' VAL . . . . . . . . . . . . . 10.1 p -147.71 152.27 12.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 72.53 111.129 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -111.9 157.21 40.26 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.642 0.734 . . . . 65.41 110.924 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 668' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -171.01 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.69 2.26 . . . . 74.22 112.329 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 669' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -156.32 169.61 24.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 74.55 110.929 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 670' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -126.9 155.19 43.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 75.33 110.85 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 671' ' ' ILE . . . . . . . . . . . . . 13.7 tt -126.37 150.89 32.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 73.52 111.123 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 9.1 tp -96.14 161.33 14.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 65.43 110.883 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 673' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -141.19 -179.59 6.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 63.44 110.842 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -143.68 179.14 7.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 74.41 111.136 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 22.2 tptm -168.27 151.38 5.61 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.262 -0.426 . . . . 75.2 110.943 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . -139.81 178.3 7.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 70.43 111.134 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -122.72 162.85 21.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 74.41 110.887 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 678' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 679' ' ' VAL . 34.6 ttpt -58.99 -31.16 68.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 75.24 110.884 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 679' ' ' VAL . . . . . 0.407 ' C ' ' O ' ' A' ' 678' ' ' LYS . 27.0 m 36.95 44.16 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.241 -0.436 . . . . 73.41 111.135 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 680' ' ' GLY . . . . . . . . . . . . . . . -102.19 -159.78 26.27 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.748 -0.739 . . . . 62.42 112.471 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 681' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.323 0 CA-C-O 120.789 0.328 . . . . 62.12 111.093 179.976 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 561' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.161 0 CA-C-O 120.851 0.271 . . . . 72.13 112.376 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 562' ' ' VAL . . . . . . . . . . . . . 60.1 t -145.54 110.53 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 71.34 111.205 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 563' ' ' ASN . . . . . . . . . . . . . 7.9 p-10 -140.42 134.67 31.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 74.23 110.859 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -143.9 154.32 43.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.495 . . . . 74.52 110.89 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 565' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.42 127.08 2.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.267 -0.424 . . . . 72.53 110.924 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 20.3 p -126.91 113.56 16.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 74.01 110.9 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 567' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.6 -173.71 2.27 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.088 -0.505 . . . . 72.12 110.906 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 2.5 mpp_? -136.36 93.42 2.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 73.32 110.896 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 14.0 m -98.13 113.58 25.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 75.03 110.799 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -173.67 113.58 0.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 70.51 110.884 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -163.15 150.42 12.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.104 -0.498 . . . . 74.45 110.862 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 2.2 m -156.16 132.35 9.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.482 . . . . 62.43 110.858 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 573' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -154.21 134.41 13.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 73.45 110.93 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 574' ' ' ARG . . . . . . . . . . . . . 67.1 mtt-85 -60.35 158.08 12.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.205 -0.452 . . . . 72.43 110.939 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 5.6 ptp85 -55.31 130.62 43.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 74.42 110.904 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 576' ' ' ILE . . . . . . . . . . . . . 39.2 mm -104.52 127.04 59.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 73.43 111.104 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 51.3 mmm-85 -90.62 -59.25 2.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.164 -0.471 . . . . 72.03 110.861 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 578' ' ' ARG . . . . . . . . . . . . . 10.7 mpt_? -118.03 160.15 40.12 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.626 0.727 . . . . 75.31 110.863 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -30.94 21.64 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.693 2.262 . . . . 75.11 112.422 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 580' ' ' PHE . . . . . . . . . . . . . 36.4 p90 -92.64 131.54 37.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 74.02 110.868 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 14.8 m -87.35 158.06 19.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.08 -0.509 . . . . 74.42 110.878 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 582' ' ' VAL . . . . . . . . . . . . . 87.9 t -51.5 -38.92 21.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.12 -0.491 . . . . 73.54 111.065 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -72.06 -32.6 67.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 74.52 111.108 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 584' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -75.28 -56.39 4.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 72.52 110.922 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 585' ' ' VAL . . . . . . . . . . . . . 2.3 p -54.16 -32.85 23.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 73.34 111.138 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -50.08 -30.45 10.97 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.189 -0.46 . . . . 71.22 110.848 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 587' ' ' ALA . . . . . . . . . . . . . . . -75.54 -40.52 56.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 64.51 111.099 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 588' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -53.3 -54.78 31.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.278 -0.419 . . . . 72.53 110.959 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 589' ' ' VAL . . . . . . . . . . . . . 7.6 p -67.48 -44.11 86.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.172 -0.467 . . . . 62.33 111.119 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -53.77 -47.2 70.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 62.53 110.881 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -66.24 -35.87 81.55 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.183 -0.462 . . . . 62.14 111.126 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 592' ' ' VAL . . . . . . . . . . . . . 65.1 t -74.32 -24.84 19.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 74.33 111.092 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -72.6 -41.28 65.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 71.21 110.954 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 14.7 t-160 -86.79 -46.16 10.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 64.44 110.896 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 595' ' ' LEU . . . . . . . . . . . . . 23.7 mt -78.67 -23.8 45.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.433 . . . . 70.43 110.976 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 596' ' ' GLY . . . . . . . . . . . . . . . 83.38 -174.67 52.25 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.782 -0.723 . . . . 61.14 112.468 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 71.5 p -93.7 28.77 2.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.852 0.358 . . . . 70.22 111.167 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 598' ' ' GLY . . . . . . . . . . . . . . . -123.94 -9.77 5.56 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.663 -0.779 . . . . 73.12 112.467 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 599' ' ' ARG . . . . . . . . . . . . . 30.6 mtp180 -121.4 78.57 1.44 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.791 0.329 . . . . 74.04 110.867 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 600' ' ' TRP . . . . . . . . . . . . . 2.8 m0 -67.75 -50.16 58.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.196 -0.456 . . . . 72.41 110.898 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 601' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -53.41 -44.95 69.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.426 . . . . 65.45 110.835 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 602' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -64.47 -34.55 78.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 65.12 110.919 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 51.9 t -64.19 -33.74 64.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 74.13 111.128 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.45 -49.35 55.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.198 -0.456 . . . . 74.43 110.921 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 605' ' ' MET . . . . . . . . . . . . . 5.1 ptm -70.87 -31.44 68.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 73.51 110.816 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 606' ' ' ARG . . . . . . . . . . . . . 5.2 ttt-85 -76.58 -40.61 49.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 72.34 110.838 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -82.37 -66.91 0.83 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.276 -0.42 . . . . 71.34 111.113 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 608' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 -70.98 124.79 25.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 74.42 110.815 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -71.93 -34.21 68.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 74.14 110.948 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -126.63 73.94 1.43 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.158 -0.474 . . . . 75.42 110.861 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 611' ' ' ALA . . . . . . . . . . . . . . . -94.9 83.28 3.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 64.22 111.03 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.63 -74.58 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.203 -0.453 . . . . 73.34 110.904 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 613' ' ' HIS . . . . . . . . . . . . . 8.0 m80 -78.88 127.27 31.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 75.24 110.865 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 614' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -71.93 103.04 3.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 71.4 110.811 -179.834 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 615' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.34 176.29 5.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.256 -0.429 . . . . 53.13 111.156 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 616' ' ' TYR . . . . . . . . . . . . . 24.5 p90 -152.58 -41.77 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 75.21 110.905 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 617' ' ' VAL . . . . . . . . . . . . . 8.5 p -72.02 -33.36 47.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.092 -0.504 . . . . 73.04 111.104 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 618' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.3 -51.5 63.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 73.4 110.854 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 619' ' ' LEU . . . . . . . . . . . . . 3.9 pp -70.96 -40.98 71.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 74.43 110.886 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 620' ' ' LYS . . . . . . . . . . . . . 16.2 ttmm -59.86 -54.25 48.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 72.24 110.894 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -54.76 -41.89 71.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 75.32 110.907 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.98 -40.67 70.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 74.3 110.905 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 623' ' ' TRP . . . . . . . . . . . . . 15.5 t-105 -67.65 -46.48 72.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 75.14 110.931 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -51.89 -55.1 22.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 72.1 110.887 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 10.6 t -62.29 -29.04 70.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 72.43 111.179 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 626' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.84 -52.23 57.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.21 -0.45 . . . . 72.51 110.878 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 627' ' ' VAL . . . . . . . . . . . . . 91.5 t -60.16 -54.28 37.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 71.14 111.11 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 628' ' ' HIS . . . . . . . . . . . . . 46.3 m80 -53.39 -27.75 25.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 75.24 110.9 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 629' ' ' THR . . . . . . . . . . . . . 4.1 m -75.94 -30.8 58.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 73.31 111.1 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -53.52 -49.07 68.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 74.34 111.111 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 167.79 68.54 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 72.25 110.862 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 632' ' ' ILE . . . . . . . . . . . . . 1.8 mp -118.56 -74.03 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.486 . . . . 74.02 111.106 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 633' ' ' ALA . . . . . . . . . . . . . . . -103.96 155.55 36.91 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.622 0.725 . . . . 45.13 111.074 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 634' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 -30.63 22.09 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.695 2.263 . . . . 62.15 112.358 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 635' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -68.37 -14.06 62.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 72.33 110.94 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -80.51 -35.78 34.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 64.2 110.909 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 637' ' ' ARG . . . . . . . . . . . . . 11.1 ptp180 -84.82 114.06 21.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 75.43 110.853 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 638' ' ' ARG . . . . . . . . . . . . . 16.5 tpt180 -118.04 -43.12 2.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 62.34 110.965 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 639' ' ' GLY . . . . . . . . . . . . . . . 141.49 -19.87 2.6 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.683 -0.77 . . . . 73.1 112.489 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 640' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -52.74 152.25 7.12 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.64 0.733 . . . . 72.44 110.864 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.75 121.18 7.88 Favored 'Trans proline' 0 N--CA 1.465 -0.194 0 C-N-CA 122.725 2.283 . . . . 70.41 112.327 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 642' ' ' VAL . . . . . . . . . . . . . 1.6 m -133.92 140.93 37.91 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.666 0.746 . . . . 71.34 111.108 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 127.27 14.34 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.686 2.257 . . . . 73.12 112.312 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 28.4 tp60 -73.27 -23.06 60.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 74.22 110.923 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -71.03 -35.48 72.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 64.32 110.835 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 646' ' ' LEU . . . . . . . . . . . . . 17.9 mt -75.48 -47.21 28.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 74.33 110.886 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 647' ' ' LEU . . . . . . . . . . . . . 39.1 mt -61.35 -35.14 76.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 74.13 110.864 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.36 -43.79 55.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 74.34 110.88 179.774 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 6.2 mmm180 -66.96 -49.46 65.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.167 -0.469 . . . . 71.45 110.854 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 650' ' ' VAL . . . . . . . . . . . . . 2.6 p -56.48 -34.51 41.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 75.12 111.092 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 15.8 mt -72.27 -32.42 66.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.151 -0.477 . . . . 55.14 110.85 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -63.08 -51.85 64.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 63.21 111.071 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -68.18 -50.9 51.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 72.14 111.001 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 654' ' ' HIS . . . . . . . . . . . . . 29.0 t60 -54.68 -34.44 62.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.294 -0.412 . . . . 73.43 110.811 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -77.81 -46.95 20.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 75.23 111.128 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 75.0 t80 -60.48 -48.22 82.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 74.23 110.951 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 657' ' ' TRP . . . . . . . . . . . . . 41.0 m95 -67.72 -34.23 76.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.092 -0.504 . . . . 73.34 110.944 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 3.3 t -60.89 -35.78 77.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 72.3 110.92 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 659' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -57.03 -24.23 52.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 65.21 110.918 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -59.62 -30.78 68.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 74.53 110.931 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 61.11 60.71 1.73 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.142 -0.481 . . . . 74.13 110.899 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 662' ' ' GLY . . . . . . . . . . . . . . . -136.24 77.52 0.35 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.738 -0.744 . . . . 75.34 112.456 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 9.4 ptmt -118.88 -47.08 2.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.728 0.299 . . . . 63.03 110.933 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 59.38 56.52 3.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 74.32 110.937 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 665' ' ' HIS . . . . . . . . . . . . . 27.6 m170 -128.89 89.98 2.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 72.34 110.836 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 666' ' ' VAL . . . . . . . . . . . . . 45.7 t -140.1 147.03 23.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 61.45 111.182 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -135.79 160.5 67.28 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.564 0.697 . . . . 64.51 110.875 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 668' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -177.14 1.74 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.707 2.271 . . . . 74.23 112.351 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 669' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -172.02 127.63 0.59 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 74.45 110.915 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 670' ' ' LYS . . . . . . . . . . . . . 2.7 ptmm? -164.28 179.56 6.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 75.31 110.856 179.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 671' ' ' ILE . . . . . . . . . . . . . 9.1 tt -143.55 150.77 17.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.483 . . . . 73.43 111.167 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -113.68 170.75 8.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 75.34 110.84 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 673' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -172.29 133.33 0.66 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 70.05 110.87 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -125.24 158.51 33.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 74.44 111.119 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -175.24 133.98 0.32 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 75.41 110.884 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . -162.74 166.55 24.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 73.22 111.082 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -143.41 179.59 7.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 64.35 110.928 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 678' ' ' LYS . . . . . . . . . . . . . 27.6 ttpt -124.99 -55.65 1.58 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 75.03 110.866 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 679' ' ' VAL . . . . . . . . . . . . . 33.4 m -51.69 165.58 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 73.43 111.11 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 680' ' ' GLY . . . . . . . . . . . . . . . 151.37 42.08 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.693 -0.765 . . . . 64.43 112.478 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 681' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-O 120.81 0.338 . . . . 74.14 111.091 179.959 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 561' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--O 1.231 0.159 0 CA-C-O 120.812 0.255 . . . . 65.03 112.365 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 562' ' ' VAL . . . . . . . . . . . . . 13.6 p -57.95 -25.34 25.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.275 -0.42 . . . . 75.43 111.086 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 563' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -85.62 -175.39 5.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 63.0 110.934 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -123.57 -74.43 0.62 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.473 . . . . 75.24 110.941 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 565' ' ' LYS . . . . . . . . . . . . . 12.0 mmmm 56.17 52.85 9.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 74.34 110.948 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 8.2 t -82.78 133.5 35.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.191 -0.459 . . . . 74.42 110.83 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 567' ' ' LYS . . . . . . . . . . . . . 28.8 mtpt -146.14 -178.87 6.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.475 . . . . 75.14 110.94 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.93 90.33 2.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 71.23 110.853 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 95.9 p -117.16 144.25 44.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 74.44 110.84 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -175.19 160.17 2.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 74.21 110.872 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -156.5 167.02 31.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 75.4 110.85 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 4.9 p -174.47 -173.77 0.79 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 72.31 110.83 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 573' ' ' GLN . . . . . . . . . . . . . 21.6 mm-40 -96.53 -175.34 3.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 75.33 110.867 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 574' ' ' ARG . . . . . . . . . . . . . 34.6 ttp85 -136.37 119.72 16.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.172 -0.467 . . . . 73.54 110.788 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 14.9 ptp180 -177.08 122.42 0.13 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 73.33 110.922 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 576' ' ' ILE . . . . . . . . . . . . . 10.2 tp -175.15 144.47 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 75.42 111.137 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.53 158.9 28.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 74.13 110.906 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 578' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.09 108.53 38.32 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.622 0.725 . . . . 75.21 110.839 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -48.62 0.69 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.662 2.241 . . . . 53.33 112.389 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 580' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -92.32 145.19 24.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 75.41 110.908 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 30.0 m -87.21 170.56 11.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 64.42 110.887 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 582' ' ' VAL . . . . . . . . . . . . . 27.1 m -56.66 -33.81 41.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.137 -0.483 . . . . 72.24 111.13 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -69.16 -43.45 74.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.463 . . . . 74.2 111.134 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 584' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -71.14 -46.82 60.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 73.12 110.824 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 585' ' ' VAL . . . . . . . . . . . . . 95.5 t -54.29 -34.99 28.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 71.44 111.148 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -52.38 -50.91 61.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 63.02 110.876 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 587' ' ' ALA . . . . . . . . . . . . . . . -58.85 -40.36 84.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.117 -0.492 . . . . 74.43 111.123 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 588' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.91 -47.44 77.46 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.197 -0.456 . . . . 74.13 110.925 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 589' ' ' VAL . . . . . . . . . . . . . 41.1 t -70.78 -54.08 19.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 75.13 111.094 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 73.3 mt-10 -51.18 -47.65 62.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.468 . . . . 73.45 110.912 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -61.22 -39.68 91.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 75.34 111.154 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 592' ' ' VAL . . . . . . . . . . . . . 41.5 t -74.02 -25.97 20.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 72.53 111.096 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -73.85 -39.05 64.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 63.24 110.895 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -86.33 -47.46 9.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 74.01 110.813 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 595' ' ' LEU . . . . . . . . . . . . . 17.3 mt -79.45 -23.58 43.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 74.21 110.855 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 596' ' ' GLY . . . . . . . . . . . . . . . 85.95 -176.1 48.85 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.702 -0.761 . . . . 65.34 112.476 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 5.9 p -94.83 26.21 3.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.846 0.355 . . . . 74.14 111.096 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 598' ' ' GLY . . . . . . . . . . . . . . . -125.9 6.06 7.85 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.729 -0.748 . . . . 64.22 112.502 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 599' ' ' ARG . . . . . . . . . . . . . 42.6 mtt180 -133.06 83.71 2.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.826 0.346 . . . . 75.24 110.875 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 600' ' ' TRP . . . . . . . . . . . . . 10.1 m0 -69.56 -50.51 44.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 73.12 110.909 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 601' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.49 -47.68 69.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.296 -0.411 . . . . 74.22 110.843 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 602' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -60.5 -39.39 87.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 62.42 110.885 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 40.3 t -61.61 -31.49 50.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 74.32 111.154 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 13.7 tttp -68.45 -49.65 58.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 75.24 110.876 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 605' ' ' MET . . . . . . . . . . . . . 17.9 ptm -72.91 -31.31 64.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 75.04 110.891 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 606' ' ' ARG . . . . . . . . . . . . . 7.3 tpm_? -75.08 -41.1 59.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 73.41 110.902 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -82.27 -60.39 2.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 73.44 111.115 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 608' ' ' PHE . . . . . . . . . . . . . 49.6 m-85 -80.08 125.37 29.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.274 -0.421 . . . . 72.51 110.849 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -71.28 -34.33 70.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.139 -0.482 . . . . 71.34 110.841 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -99.77 -36.67 9.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 72.41 110.862 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 611' ' ' ALA . . . . . . . . . . . . . . . 50.23 44.92 26.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 60.41 111.079 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -137.94 42.55 2.27 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.24 -0.436 . . . . 74.31 110.832 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 613' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -143.07 -42.3 0.3 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 75.4 110.86 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 614' ' ' ARG . . . . . . . . . . . . . 7.9 mpt_? -116.04 156.13 26.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 72.52 110.882 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 615' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -80.57 166.23 21.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 75.04 111.106 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 616' ' ' TYR . . . . . . . . . . . . . 53.4 p90 -63.69 -32.8 74.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 74.41 110.891 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 617' ' ' VAL . . . . . . . . . . . . . 14.8 p -71.76 -33.04 47.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 70.11 111.138 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 618' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.04 -50.7 60.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 71.41 110.875 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 619' ' ' LEU . . . . . . . . . . . . . 1.3 pp -54.19 -32.9 56.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.191 -0.458 . . . . 72.51 110.899 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 620' ' ' LYS . . . . . . . . . . . . . 1.5 ttpp -63.01 -54.79 32.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 72.55 110.862 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -54.76 -30.83 57.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.282 -0.417 . . . . 64.13 110.916 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.05 -41.3 86.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 75.31 110.924 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 623' ' ' TRP . . . . . . . . . . . . . 35.2 t-105 -67.2 -49.92 62.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.468 . . . . 74.24 110.936 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -48.3 -55.92 9.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 61.2 110.879 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 10.2 t -62.07 -28.74 69.82 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.22 -0.445 . . . . 74.41 111.188 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 626' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.08 -47.66 76.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 74.53 110.909 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 627' ' ' VAL . . . . . . . . . . . . . 74.8 t -58.14 -54.95 25.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 74.33 111.123 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 628' ' ' HIS . . . . . 0.416 ' HA ' ' HB ' ' A' ' 632' ' ' ILE . 3.6 m80 -53.04 -31.3 40.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 73.25 110.859 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 629' ' ' THR . . . . . . . . . . . . . 51.7 m -72.42 -29.93 64.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 64.41 111.123 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -53.92 -50.19 66.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.424 . . . . 73.44 111.032 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 11.5 t 172.41 68.09 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.266 -0.425 . . . . 65.13 110.842 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 632' ' ' ILE . . . . . 0.416 ' HB ' ' HA ' ' A' ' 628' ' ' HIS . 2.3 mp -127.02 -75.85 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.101 -0.499 . . . . 74.2 111.059 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 633' ' ' ALA . . . . . . . . . . . . . . . -103.49 144.32 28.41 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.604 0.716 . . . . 74.4 111.116 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 634' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -48.15 0.78 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.692 2.261 . . . . 64.33 112.365 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 635' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -73.71 -13.73 61.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 71.12 110.932 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 19.7 mm100 -80.79 -0.71 39.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 74.41 110.953 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 637' ' ' ARG . . . . . . . . . . . . . 38.0 ttp180 -81.09 114.28 19.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 71.2 110.882 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 638' ' ' ARG . . . . . . . . . . . . . 8.0 mtm-85 -57.63 146.16 31.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 74.42 110.876 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 639' ' ' GLY . . . . . . . . . . . . . . . -51.5 -63.02 5.01 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.767 -0.73 . . . . 51.12 112.475 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 640' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -55.49 154.33 12.47 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.556 0.693 . . . . 74.42 110.944 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 121.64 8.31 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.674 2.249 . . . . 74.32 112.307 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 642' ' ' VAL . . . . . . . . . . . . . 3.5 t -92.38 132.42 32.02 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.649 0.738 . . . . 74.32 111.13 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 128.6 16.29 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.62 2.213 . . . . 72.4 112.376 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -64.79 -20.24 66.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 74.04 110.919 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -60.45 -45.44 93.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.136 -0.484 . . . . 60.42 110.915 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 646' ' ' LEU . . . . . . . . . . . . . 25.6 mt -75.49 -53.28 8.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 72.22 110.871 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 647' ' ' LEU . . . . . . . . . . . . . 91.9 mt -52.25 -34.7 47.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 74.11 110.907 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -71.12 -45.94 62.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 74.24 110.913 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 83.5 mtt180 -65.57 -36.6 84.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.106 -0.497 . . . . 72.42 110.859 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 650' ' ' VAL . . . . . . . . . . . . . 43.0 t -64.09 -49.85 79.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.491 . . . . 74.34 111.167 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.66 -29.53 70.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.11 -0.495 . . . . 73.4 110.823 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -64.48 -50.46 67.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.267 -0.424 . . . . 62.41 111.121 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -75.68 -42.17 51.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 65.15 111.073 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 654' ' ' HIS . . . . . . . . . . . . . 62.9 t60 -54.54 -46.98 73.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 73.2 110.873 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -73.11 -46.9 48.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 75.03 111.112 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -54.25 -50.08 68.03 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.203 -0.453 . . . . 74.02 110.919 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 657' ' ' TRP . . . . . . . . . . . . . 71.0 m95 -71.05 -36.77 72.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.112 -0.495 . . . . 74.42 110.942 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 9.5 t -54.11 -31.82 53.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 62.35 110.855 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 659' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -57.0 -23.57 47.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.079 -0.51 . . . . 63.13 110.958 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -101.59 -40.47 7.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 71.33 110.885 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 21.4 tp60 -173.98 155.43 2.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.448 . . . . 74.2 110.928 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 662' ' ' GLY . . . . . . . . . . . . . . . 163.4 151.96 6.65 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.716 -0.754 . . . . 72.41 112.478 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 12.9 ttpt -174.28 151.88 1.7 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.715 0.293 . . . . 74.54 110.896 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 9.3 tp-100 -174.05 158.12 3.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 74.53 110.925 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 665' ' ' HIS . . . . . . . . . . . . . 59.4 m-70 -155.66 168.08 28.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 75.13 110.835 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 666' ' ' VAL . . . . . . . . . . . . . 10.7 p -175.4 151.87 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 74.52 111.129 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -119.9 157.52 52.39 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.704 0.764 . . . . 73.14 110.851 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 668' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -177.22 1.78 Allowed 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.605 2.203 . . . . 74.44 112.369 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 669' ' ' LEU . . . . . . . . . . . . . 1.6 pp -173.7 141.93 0.88 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.26 -0.427 . . . . 74.33 110.907 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 670' ' ' LYS . . . . . . . . . . . . . 22.2 pttm -172.1 -178.84 2.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 73.01 110.908 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 671' ' ' ILE . . . . . . . . . . . . . 42.1 pt -150.44 -176.73 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 73.04 111.14 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 12.2 mt -148.3 174.1 12.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 62.32 110.879 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 673' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -173.29 178.65 2.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 74.35 110.833 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -175.89 168.35 3.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 75.15 111.103 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -175.88 144.78 0.63 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.219 -0.446 . . . . 75.12 110.874 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . -162.36 -179.74 7.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 71.11 111.064 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -165.71 156.98 13.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.11 -0.495 . . . . 74.41 110.916 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 678' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? -102.91 -58.52 1.86 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 73.31 110.883 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 679' ' ' VAL . . . . . . . . . . . . . 13.1 p 39.65 38.56 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.28 -0.418 . . . . 75.55 111.101 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 680' ' ' GLY . . . . . . . . . . . . . . . -93.71 -164.06 36.67 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.742 -0.742 . . . . 70.43 112.532 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 681' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.353 0 CA-C-O 120.797 0.332 . . . . 73.43 111.192 179.92 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 561' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.231 0.166 0 CA-C-O 120.763 0.234 . . . . 52.21 112.385 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 562' ' ' VAL . . . . . . . . . . . . . 46.4 t -114.67 73.67 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 72.35 111.123 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 563' ' ' ASN . . . . . . . . . . . . . 39.6 m-80 -107.15 -45.49 4.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 72.53 110.869 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -85.29 146.84 26.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 75.0 110.897 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 565' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.19 144.93 42.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 73.3 110.842 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 34.6 t -123.78 110.52 15.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 72.13 110.879 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 567' ' ' LYS . . . . . . . . . . . . . 43.3 mmtm -106.65 -177.65 3.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 75.31 110.896 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 21.6 mmm180 -53.23 122.24 9.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 75.25 110.838 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 44.1 m -108.77 135.67 49.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.49 . . . . 70.14 110.874 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -122.04 91.41 3.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 73.2 110.879 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 5.0 mp -120.17 87.89 2.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.464 . . . . 75.44 110.95 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 2.5 m -141.23 161.05 38.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 75.55 110.888 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 573' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -57.78 161.05 4.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 73.32 110.921 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 574' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.74 -26.1 65.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 74.43 110.827 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 16.2 mmm180 -68.16 166.92 15.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 74.12 110.878 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 576' ' ' ILE . . . . . . . . . . . . . 1.8 tt 39.55 38.62 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 75.14 111.088 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 4.9 ptt-85 -60.84 -172.14 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 74.35 110.889 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 578' ' ' ARG . . . . . . . . . . . . . 13.9 tpp180 -120.45 136.13 25.04 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.604 0.716 . . . . 73.43 110.817 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 118.81 5.9 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.67 2.246 . . . . 74.41 112.355 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 580' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -92.23 145.43 24.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 74.4 110.904 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 1.3 m -72.59 159.68 33.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 70.21 110.876 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 582' ' ' VAL . . . . . . . . . . . . . 59.5 t -54.05 -30.77 20.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 64.44 111.138 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -67.63 -47.47 69.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 70.14 111.098 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 584' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -71.91 -41.77 67.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 74.24 110.91 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 585' ' ' VAL . . . . . . . . . . . . . 95.2 t -59.89 -35.91 63.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 75.25 111.179 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -60.45 -48.69 80.67 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.137 -0.483 . . . . 54.22 110.867 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 587' ' ' ALA . . . . . . . . . . . . . . . -60.14 -32.87 71.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 72.22 111.105 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 588' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -70.05 -49.4 51.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 73.51 110.888 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 589' ' ' VAL . . . . . 0.411 ' HA ' HG12 ' A' ' 592' ' ' VAL . 18.4 t -60.85 -57.44 12.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 74.41 111.122 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -55.77 -30.46 61.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 63.24 110.917 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -72.76 -45.74 57.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.104 -0.498 . . . . 73.54 111.102 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 592' ' ' VAL . . . . . 0.411 HG12 ' HA ' ' A' ' 589' ' ' VAL . 12.7 p -74.5 -26.2 19.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.455 . . . . 75.51 111.114 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.35 -41.69 63.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 73.44 110.945 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 7.7 t-80 -84.97 -47.3 10.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.123 -0.49 . . . . 74.23 110.864 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 595' ' ' LEU . . . . . . . . . . . . . 11.8 mt -79.84 -14.91 58.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.215 -0.448 . . . . 65.41 110.905 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 596' ' ' GLY . . . . . . . . . . . . . . . 81.16 170.06 42.82 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.806 -0.711 . . . . 65.02 112.487 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -80.58 0.75 32.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.834 0.349 . . . . 72.41 111.148 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 598' ' ' GLY . . . . . . . . . . . . . . . -100.16 -14.25 33.97 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.758 -0.734 . . . . 64.33 112.48 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 599' ' ' ARG . . . . . . . . . . . . . 10.7 mtt85 -104.12 70.44 0.98 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.774 0.321 . . . . 72.2 110.844 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 600' ' ' TRP . . . . . . . . . . . . . 21.8 m0 -62.81 -50.43 71.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.215 -0.448 . . . . 73.22 110.901 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 601' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -53.73 -47.64 70.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.226 -0.443 . . . . 75.11 110.879 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 602' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -63.03 -35.73 81.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 61.31 110.919 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 52.4 t -65.69 -31.69 54.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.151 -0.477 . . . . 73.12 111.199 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 1.5 ttpm? -68.19 -49.95 57.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 74.13 110.868 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 605' ' ' MET . . . . . . . . . . . . . 30.5 mtm -73.19 -30.92 63.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 75.2 110.915 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 606' ' ' ARG . . . . . . . . . . . . . 7.0 tpm_? -73.71 -41.06 63.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 72.34 110.869 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -91.02 -70.16 0.7 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.478 . . . . 73.51 111.073 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 608' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -70.59 124.52 24.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 75.1 110.905 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -72.19 -34.15 68.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 75.31 110.896 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -89.84 47.24 1.44 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 72.55 110.888 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 611' ' ' ALA . . . . . . . . . . . . . . . -87.05 54.68 3.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.25 -0.432 . . . . 71.34 111.13 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -100.82 87.83 3.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 75.12 110.844 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 613' ' ' HIS . . . . . . . . . . . . . 5.7 t-160 64.99 57.92 0.95 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 73.55 110.925 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 614' ' ' ARG . . . . . . . . . . . . . 5.3 tpp85 -125.12 157.13 37.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 75.2 110.866 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 615' ' ' THR . . . . . . . . . . . . . 4.5 t -73.67 158.01 35.49 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.179 -0.464 . . . . 72.3 111.13 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 616' ' ' TYR . . . . . . . . . . . . . 28.7 p90 -98.56 21.48 11.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 63.24 110.945 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 617' ' ' VAL . . . . . . . . . . . . . 11.8 p -72.16 -33.64 47.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.123 -0.489 . . . . 73.12 111.084 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 618' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.75 -50.77 40.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.277 -0.419 . . . . 75.04 110.89 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 619' ' ' LEU . . . . . . . . . . . . . 3.1 pp -66.79 -38.23 86.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 74.12 110.967 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 620' ' ' LYS . . . . . . . . . . . . . 17.7 ttmt -66.46 -44.21 83.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 74.53 110.958 179.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 52.8 t0 -71.62 -35.06 70.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.16 -0.473 . . . . 60.42 110.859 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 31.8 mtpt -58.95 -42.62 90.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 74.43 110.921 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 623' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -70.23 -47.71 60.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 74.01 110.893 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 2.6 tttp -51.67 -46.91 63.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 74.13 110.874 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 15.1 t -72.43 -28.51 63.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 73.35 111.149 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 626' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.21 -55.22 19.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 73.11 110.904 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 627' ' ' VAL . . . . . . . . . . . . . 4.0 p -58.26 -45.11 89.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 73.45 111.116 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 628' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.23 -26.69 68.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.187 -0.461 . . . . 73.41 110.922 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 629' ' ' THR . . . . . . . . . . . . . 7.5 m -77.17 -29.63 54.56 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.183 -0.462 . . . . 73.55 111.106 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -53.84 -48.48 69.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.261 -0.427 . . . . 73.35 111.121 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 170.02 68.87 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 73.4 110.861 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 632' ' ' ILE . . . . . . . . . . . . . 1.8 mp -123.46 -73.35 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.091 -0.504 . . . . 74.34 111.161 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 633' ' ' ALA . . . . . . . . . . . . . . . -104.2 148.85 36.59 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.621 0.724 . . . . 72.3 111.142 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 634' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 -29.49 23.67 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.641 2.227 . . . . 73.33 112.405 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 635' ' ' GLN . . . . . . . . . . . . . 19.9 mm100 -70.03 -14.28 62.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 74.31 110.984 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 -80.47 -34.94 35.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 73.22 110.88 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 637' ' ' ARG . . . . . . . . . . . . . 4.9 tmm_? -84.65 113.99 21.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 75.13 110.858 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 638' ' ' ARG . . . . . . . . . . . . . 1.3 tpt85 -114.09 -57.34 2.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 72.34 110.807 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 639' ' ' GLY . . . . . . . . . . . . . . . 156.25 -20.79 0.49 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.741 -0.742 . . . . 72.44 112.476 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 640' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -51.68 160.66 1.01 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.67 0.747 . . . . 71.33 110.839 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.74 120.13 6.97 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.619 2.213 . . . . 71.04 112.377 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 642' ' ' VAL . . . . . . . . . . . . . 1.5 p -134.46 130.96 20.21 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.598 0.713 . . . . 74.42 111.099 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 128.51 16.1 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.691 2.261 . . . . 72.34 112.343 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -75.97 -22.59 55.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 72.2 110.932 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 52.0 t0 -70.65 -35.3 72.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 74.53 110.896 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 646' ' ' LEU . . . . . . . . . . . . . 42.6 mt -76.05 -50.26 15.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 73.12 110.911 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 647' ' ' LEU . . . . . . . . . . . . . 50.1 mt -55.46 -43.06 75.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 75.52 110.942 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -64.47 -47.37 79.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 75.25 110.845 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 75.1 mtt180 -64.49 -37.5 87.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.212 -0.449 . . . . 72.52 110.868 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 650' ' ' VAL . . . . . . . . . . . . . 51.1 t -57.0 -49.99 77.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 74.55 111.187 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 6.0 mp -61.82 -36.87 82.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 62.35 110.949 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -54.63 -51.09 66.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 65.34 111.1 179.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -76.01 -44.51 39.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 75.32 111.093 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 654' ' ' HIS . . . . . . . . . . . . . 63.3 t60 -54.15 -44.38 71.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 74.24 110.818 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -77.24 -46.79 22.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 73.15 111.103 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 79.9 t80 -53.82 -50.29 66.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 71.32 110.887 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 657' ' ' TRP . . . . . . . . . . . . . 69.4 m95 -71.31 -33.73 69.94 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.11 -0.495 . . . . 74.31 110.952 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -56.91 -31.05 64.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 74.33 110.887 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 659' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -59.51 -20.05 52.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 71.32 110.849 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 64.26 62.19 0.85 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 73.43 110.93 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -81.08 -24.75 37.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 63.12 110.945 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 662' ' ' GLY . . . . . . . . . . . . . . . -128.7 -141.19 5.11 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.83 -0.7 . . . . 74.1 112.506 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 12.8 mmtm -154.3 140.87 18.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.751 0.31 . . . . 72.13 110.863 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -177.1 151.92 0.85 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 75.22 110.925 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 665' ' ' HIS . . . . . . . . . . . . . 6.9 p-80 -173.02 149.27 1.84 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.461 . . . . 74.44 110.81 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 666' ' ' VAL . . . . . . . . . . . . . 21.4 t -145.14 150.84 15.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 75.12 111.113 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -113.82 157.41 41.86 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.645 0.736 . . . . 74.22 110.907 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 668' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -170.93 0.43 Allowed 'Trans proline' 0 C--O 1.233 0.231 0 C-N-CA 122.662 2.241 . . . . 71.33 112.329 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 669' ' ' LEU . . . . . . . . . . . . . 8.6 tp -126.99 165.58 19.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 74.11 110.892 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 670' ' ' LYS . . . . . . . . . . . . . 32.7 tttp -117.15 165.78 13.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 64.14 110.971 179.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 671' ' ' ILE . . . . . . . . . . . . . 10.1 tp -137.5 145.78 28.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.275 -0.421 . . . . 71.31 111.149 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 12.4 tp -97.49 155.24 17.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 64.2 110.917 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 673' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -178.98 147.49 0.35 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.124 -0.489 . . . . 73.33 110.849 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -175.52 167.69 3.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 74.01 111.065 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 24.4 tptt -176.04 146.63 0.7 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 75.41 110.909 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . -152.35 177.9 10.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 72.25 111.058 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 6.1 tp60 -171.84 152.2 2.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 72.43 110.935 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 678' ' ' LYS . . . . . . . . . . . . . 21.8 tptt -93.31 -60.75 1.71 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.445 . . . . 73.23 110.899 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 679' ' ' VAL . . . . . . . . . . . . . 38.6 t 62.48 75.16 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.262 -0.426 . . . . 74.11 111.135 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 680' ' ' GLY . . . . . . . . . . . . . . . -132.57 -171.84 12.87 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.798 -0.715 . . . . 75.12 112.476 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 681' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-O 120.748 0.308 . . . . 73.41 111.117 179.962 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 561' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 N--CA 1.465 -0.18 0 CA-C-O 120.875 0.281 . . . . 75.24 112.334 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 562' ' ' VAL . . . . . . . . . . . . . 43.4 t -145.85 109.87 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 73.25 111.116 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 563' ' ' ASN . . . . . . . . . . . . . 40.6 t30 -162.82 165.63 25.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 70.33 110.883 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -159.77 154.75 24.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 75.43 110.931 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 565' ' ' LYS . . . . . . . . . . . . . 36.0 mmtt -120.19 161.62 20.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 70.54 110.87 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 74.9 p -122.76 141.01 52.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.21 -0.45 . . . . 74.44 110.86 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 567' ' ' LYS . . . . . . . . . . . . . 29.3 mtmm -134.51 113.24 11.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.469 . . . . 75.11 110.955 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 50.4 mtp85 -138.44 138.87 38.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 75.12 110.896 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -106.41 125.33 50.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 71.21 110.884 -179.818 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -112.66 136.59 52.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.104 -0.498 . . . . 71.21 110.86 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 94.6 mt -84.5 73.66 10.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 74.31 110.945 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 68.4 m -133.41 179.34 6.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 73.02 110.871 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 573' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -133.99 103.39 5.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 72.02 110.892 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 574' ' ' ARG . . . . . . . . . . . . . 11.4 tpt85 -116.32 162.54 17.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.43 . . . . 75.24 110.903 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 29.8 ttm-85 -151.22 108.48 3.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.252 -0.431 . . . . 75.32 110.916 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 576' ' ' ILE . . . . . . . . . . . . . 35.4 pt -52.2 170.73 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 71.33 111.138 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 30.6 mtp180 -138.3 24.53 2.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 63.41 110.933 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 578' ' ' ARG . . . . . . . . . . . . . 4.0 mtp180 -120.44 160.09 45.3 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.656 0.741 . . . . 71.44 110.833 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 152.91 69.53 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.708 2.272 . . . . 64.13 112.337 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 580' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -91.69 142.96 27.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 70.05 110.879 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 12.9 m -72.59 158.54 35.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.499 . . . . 73.24 110.819 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 582' ' ' VAL . . . . . . . . . . . . . 87.0 t -51.96 -39.01 24.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.082 -0.508 . . . . 72.02 111.111 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -69.27 -34.9 75.46 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.186 -0.461 . . . . 54.32 111.064 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 584' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -75.26 -38.5 60.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 65.21 110.834 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 585' ' ' VAL . . . . . . . . . . . . . 60.5 t -71.95 -34.58 51.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 75.32 111.131 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -51.22 -30.79 18.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.084 -0.507 . . . . 74.23 110.911 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 587' ' ' ALA . . . . . . . . . . . . . . . -76.16 -35.48 59.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 71.52 111.122 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 588' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.88 -48.35 79.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 70.11 110.891 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 589' ' ' VAL . . . . . . . . . . . . . 10.4 t -68.35 -55.91 14.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 73.02 111.133 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -51.04 -43.57 60.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.083 -0.508 . . . . 72.34 110.903 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -66.94 -41.86 86.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 70.35 111.146 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 592' ' ' VAL . . . . . 0.403 ' O ' ' CA ' ' A' ' 596' ' ' GLY . 40.7 t -69.26 -25.22 28.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.262 -0.426 . . . . 75.44 111.081 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -73.23 -38.41 66.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.492 . . . . 74.32 110.852 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -86.67 -47.7 8.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 72.24 110.921 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 595' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -79.37 -24.1 42.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 74.42 110.899 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 596' ' ' GLY . . . . . 0.403 ' CA ' ' O ' ' A' ' 592' ' ' VAL . . . 87.74 -167.38 36.7 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.75 -0.738 . . . . 72.11 112.516 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 4.5 p -102.52 34.12 2.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.854 0.359 . . . . 74.21 111.108 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 598' ' ' GLY . . . . . . . . . . . . . . . -143.8 11.71 2.15 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.748 -0.739 . . . . 73.43 112.473 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 599' ' ' ARG . . . . . . . . . . . . . 70.4 mtt180 -132.06 77.41 1.76 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.801 0.334 . . . . 73.14 110.842 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 600' ' ' TRP . . . . . . . . . . . . . 11.1 m0 -69.46 -50.25 47.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.485 . . . . 72.41 110.919 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 601' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.61 -36.55 56.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.43 . . . . 74.04 110.864 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 602' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -76.86 -48.72 17.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 73.03 110.904 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 52.9 t -58.5 -36.09 57.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.081 -0.509 . . . . 73.31 111.154 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 2.3 ttpm? -71.9 -41.24 68.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 73.32 110.901 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 605' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -71.28 -32.99 69.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 74.44 110.874 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 606' ' ' ARG . . . . . . . . . . . . . 26.7 ttm-85 -80.94 -40.48 24.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 75.1 110.847 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -83.81 -70.97 0.53 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 65.12 111.074 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 608' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -71.08 125.49 27.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 74.33 110.849 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -71.21 -33.76 70.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.114 -0.494 . . . . 71.52 110.799 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -98.93 53.95 0.99 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 73.25 110.858 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 611' ' ' ALA . . . . . . . . . . . . . . . -86.31 52.87 2.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.101 -0.5 . . . . 70.03 111.078 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -98.68 -64.61 1.02 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 72.21 110.867 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 613' ' ' HIS . . . . . . . . . . . . . 5.0 t-160 -109.02 25.97 11.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 73.22 110.866 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 614' ' ' ARG . . . . . . . . . . . . . 16.1 tpp180 -87.97 156.16 19.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.449 . . . . 73.11 110.907 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 615' ' ' THR . . . . . . . . . . . . . 5.3 t -88.52 160.58 17.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 75.43 111.169 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 616' ' ' TYR . . . . . . . . . . . . . 16.8 p90 -87.84 -24.53 23.68 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.195 -0.457 . . . . 74.41 110.933 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 617' ' ' VAL . . . . . . . . . . . . . 12.2 p -65.17 -32.55 58.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.084 -0.507 . . . . 73.24 111.172 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 618' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -51.52 -29.72 17.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 65.34 110.89 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 619' ' ' LEU . . . . . . . . . . . . . 4.5 mt -77.18 -53.06 8.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 73.04 110.97 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 620' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.39 -33.09 73.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 72.44 110.91 179.807 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -68.98 -50.44 49.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 71.34 110.914 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.5 -33.73 74.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 74.51 110.917 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 623' ' ' TRP . . . . . . . . . . . . . 9.1 t-105 -74.19 -54.98 6.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 70.43 110.912 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 2.6 tmtt? -51.64 -45.48 63.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 73.2 110.896 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 9.0 t -71.04 -28.99 64.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.25 -0.432 . . . . 63.12 111.159 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 626' ' ' LEU . . . . . . . . . . . . . 4.7 tp -71.19 -55.07 8.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 73.31 110.844 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 627' ' ' VAL . . . . . . . . . . . . . 6.3 p -57.43 -43.84 83.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 73.33 111.106 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 628' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -57.86 -39.32 77.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 73.3 110.857 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 629' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -66.31 -29.63 69.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 73.51 111.049 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -54.26 -49.04 70.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.307 -0.406 . . . . 72.33 111.093 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 11.5 t 173.54 69.27 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.429 . . . . 73.05 110.842 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 632' ' ' ILE . . . . . . . . . . . . . 1.9 mp -129.07 -72.57 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 74.23 111.086 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 633' ' ' ALA . . . . . . . . . . . . . . . -103.42 147.5 34.28 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.596 0.712 . . . . 73.32 111.084 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 634' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -37.49 9.16 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.657 2.238 . . . . 63.34 112.332 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 635' ' ' GLN . . . . . . . . . . . . . 24.0 mm-40 -65.63 -14.86 62.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.267 -0.424 . . . . 75.44 110.883 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -81.53 -33.52 31.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 72.05 110.846 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 637' ' ' ARG . . . . . . . . . . . . . 17.0 mmt85 -84.66 114.39 21.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 75.54 110.858 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 638' ' ' ARG . . . . . . . . . . . . . 19.5 mmt85 -113.41 -55.06 2.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.107 -0.497 . . . . 71.54 110.838 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 639' ' ' GLY . . . . . . . . . . . . . . . 153.76 -18.5 0.66 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.7 -0.762 . . . . 54.4 112.459 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 640' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -50.71 154.95 2.1 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.644 0.735 . . . . 75.42 110.924 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.76 121.24 7.93 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.734 2.289 . . . . 73.21 112.295 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 642' ' ' VAL . . . . . . . . . . . . . 3.2 p -133.37 134.45 23.94 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.686 0.755 . . . . 71.41 111.092 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 128.74 16.46 Favored 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 122.715 2.277 . . . . 70.41 112.323 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 44.0 tt0 -70.25 -25.61 63.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.232 -0.44 . . . . 74.23 110.949 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -64.56 -39.14 93.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.179 -0.464 . . . . 73.41 110.871 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 646' ' ' LEU . . . . . . . . . . . . . 17.5 mt -75.39 -42.64 53.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 74.34 110.944 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 647' ' ' LEU . . . . . . . . . . . . . 44.5 mt -67.62 -35.49 79.03 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.174 -0.466 . . . . 73.41 110.868 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -72.72 -39.8 66.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 72.15 110.892 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 16.5 mmt180 -74.69 -48.48 25.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 74.45 110.845 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 650' ' ' VAL . . . . . . . . . . . . . 9.8 p -55.9 -35.61 41.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.238 -0.437 . . . . 71.32 111.133 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 39.4 mt -72.94 -37.65 67.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 74.31 110.903 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -57.24 -52.49 65.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 65.13 111.1 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -70.62 -44.09 67.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.431 . . . . 74.01 111.084 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 654' ' ' HIS . . . . . . . . . . . . . 36.0 t-80 -56.08 -44.06 78.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 72.12 110.895 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -77.42 -46.76 21.63 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.16 -0.473 . . . . 74.33 111.14 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 80.2 t80 -55.56 -50.02 71.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 75.33 110.938 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 657' ' ' TRP . . . . . . . . . . . . . 69.0 m95 -70.82 -30.92 67.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.136 -0.484 . . . . 74.42 110.922 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 8.9 t -58.99 -34.61 72.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.244 -0.434 . . . . 75.31 110.875 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 659' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -56.99 -24.47 53.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 72.22 110.885 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -125.36 26.63 6.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.438 . . . . 64.4 110.889 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -157.05 177.27 11.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 74.24 110.938 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 662' ' ' GLY . . . . . . . . . . . . . . . -100.98 -155.08 27.02 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.728 -0.749 . . . . 64.51 112.391 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -172.7 -176.28 1.46 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.719 0.295 . . . . 75.31 110.881 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 10.0 mm100 -129.39 -176.43 3.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 74.3 110.948 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 665' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -160.79 121.49 2.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 71.34 110.877 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 666' ' ' VAL . . . . . . . . . . . . . 7.7 p -177.15 137.34 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 71.5 111.155 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -118.77 160.4 40.56 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.619 0.723 . . . . 70.31 110.907 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 668' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -48.36 0.74 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.692 2.261 . . . . 74.31 112.348 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 669' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -172.83 -171.41 0.76 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 74.0 110.887 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 670' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.56 152.68 32.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 63.0 110.929 179.823 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 671' ' ' ILE . . . . . . . . . . . . . 17.7 tt -175.58 147.21 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.434 . . . . 73.3 111.161 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 5.1 tp -115.4 126.97 55.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 71.22 110.953 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 673' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -175.76 128.46 0.24 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 73.03 110.879 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -176.5 140.29 0.36 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 70.34 111.022 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.32 165.35 3.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 73.33 110.876 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . 59.97 34.64 21.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 75.31 111.133 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -96.08 76.36 3.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 63.33 110.907 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 678' ' ' LYS . . . . . . . . . . . . . 8.9 tmtt? -105.74 85.23 2.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.468 . . . . 74.14 110.953 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 679' ' ' VAL . . . . . . . . . . . . . 25.7 t -121.07 91.72 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 61.23 111.212 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 680' ' ' GLY . . . . . . . . . . . . . . . 66.72 -149.08 51.13 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.734 -0.746 . . . . 72.11 112.497 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 681' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-O 120.781 0.324 . . . . 64.25 111.065 -179.999 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 561' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--O 1.231 0.147 0 CA-C-O 120.84 0.267 . . . . 65.23 112.298 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 562' ' ' VAL . . . . . . . . . . . . . 6.8 p -175.27 125.28 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.184 -0.462 . . . . 74.51 111.056 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 563' ' ' ASN . . . . . . . . . . . . . 6.7 p-10 -173.02 154.57 2.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.117 -0.492 . . . . 74.21 110.875 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 -142.92 156.08 44.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 73.21 110.954 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 565' ' ' LYS . . . . . . . . . . . . . 8.6 pttp -176.24 114.6 0.12 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 74.33 110.893 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 1.3 m -127.14 130.29 49.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 74.13 110.911 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 567' ' ' LYS . . . . . . . . . . . . . 32.6 mtpt -149.39 140.74 23.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.494 . . . . 73.32 110.938 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 12.1 ptt180 -175.16 151.27 1.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.293 -0.412 . . . . 74.13 110.939 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 74.2 m -117.12 151.8 36.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.243 -0.435 . . . . 73.03 110.791 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -139.2 178.76 6.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 75.22 110.867 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 33.7 mt -74.46 -170.28 0.98 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 70.43 110.936 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 8.5 t -157.12 134.07 10.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 72.25 110.879 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 573' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -160.8 159.95 30.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.089 -0.505 . . . . 74.21 110.903 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 574' ' ' ARG . . . . . . . . . . . . . 3.1 tmm_? -131.24 116.27 17.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 74.22 110.821 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -176.93 143.79 0.43 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 75.23 110.865 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 576' ' ' ILE . . . . . . . . . . . . . 6.8 tp -116.1 144.58 23.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.482 . . . . 74.41 111.088 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 15.6 ttm-85 -100.59 -77.94 0.53 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.472 . . . . 74.54 110.854 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 578' ' ' ARG . . . . . . . . . . . . . 63.6 mtp180 -121.29 155.55 58.53 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.593 0.711 . . . . 71.13 110.828 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 81.49 0.81 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.684 2.256 . . . . 64.33 112.35 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 580' ' ' PHE . . . . . . . . . . . . . 10.6 p90 -92.51 141.86 28.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 74.05 110.851 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 34.7 m -109.06 -178.57 3.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.105 -0.498 . . . . 54.43 110.839 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 582' ' ' VAL . . . . . . . . . . . . . 85.8 t -51.7 -37.66 20.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.486 . . . . 75.3 111.155 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -69.97 -35.08 74.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 71.22 111.1 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 584' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -74.71 -52.86 10.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.291 -0.413 . . . . 64.24 110.893 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 585' ' ' VAL . . . . . . . . . . . . . 88.5 t -53.8 -33.88 24.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 54.24 111.136 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -60.69 -30.96 70.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 72.41 110.869 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 587' ' ' ALA . . . . . . . . . . . . . . . -71.25 -47.91 54.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 73.51 111.128 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 588' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.38 -54.88 34.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 71.01 110.92 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 589' ' ' VAL . . . . . . . . . . . . . 4.5 p -62.43 -46.47 96.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 74.51 111.181 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -51.45 -47.45 63.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.117 -0.492 . . . . 73.3 110.916 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -70.13 -35.06 73.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.136 -0.483 . . . . 73.54 111.165 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 592' ' ' VAL . . . . . 0.413 ' O ' ' CA ' ' A' ' 596' ' ' GLY . 4.3 t -70.53 -27.94 33.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.197 -0.456 . . . . 74.51 111.097 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -75.64 -35.31 60.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 64.05 110.889 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -85.6 -48.01 9.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 63.42 110.903 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 595' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -82.09 -24.65 35.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 71.01 110.879 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 596' ' ' GLY . . . . . 0.413 ' CA ' ' O ' ' A' ' 592' ' ' VAL . . . 89.96 -145.37 18.17 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.737 -0.744 . . . . 61.54 112.537 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 3.2 p -122.61 27.98 7.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.825 0.345 . . . . 75.15 111.162 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 598' ' ' GLY . . . . . . . . . . . . . . . -131.84 1.8 5.14 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.761 -0.733 . . . . 74.24 112.455 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 599' ' ' ARG . . . . . . . . . . . . . 61.6 mtm-85 -128.09 83.03 2.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.767 0.318 . . . . 74.54 110.927 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 600' ' ' TRP . . . . . . . . . . . . . 10.8 m0 -69.35 -50.61 44.75 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.234 -0.439 . . . . 75.22 110.905 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 601' ' ' ARG . . . . . . . . . . . . . 18.5 ptt180 -53.58 -47.82 69.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.436 . . . . 75.02 110.85 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 602' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -61.62 -36.99 82.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.438 . . . . 55.3 110.882 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 24.8 t -62.58 -31.95 53.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.455 . . . . 72.3 111.094 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.98 -46.77 64.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 64.35 110.847 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 605' ' ' MET . . . . . . . . . . . . . 3.3 mmt -69.94 -31.36 69.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.426 . . . . 71.05 110.895 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 606' ' ' ARG . . . . . . . . . . . . . 15.7 tpp180 -78.91 -40.58 31.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 73.2 110.917 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -79.29 -65.64 0.97 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 75.04 111.111 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 608' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 -71.2 124.71 25.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.275 -0.421 . . . . 73.54 110.87 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -72.26 -34.38 68.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 51.53 110.896 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 30.3 t-20 -133.35 68.23 1.5 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 73.51 110.859 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 611' ' ' ALA . . . . . . . . . . . . . . . -85.87 84.43 7.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 74.02 111.088 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.58 -58.72 5.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 63.12 110.864 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 613' ' ' HIS . . . . . . . . . . . . . 17.9 m170 -93.07 137.19 32.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 73.22 110.857 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 614' ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? -74.05 102.94 4.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 73.21 110.905 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 615' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.26 159.25 15.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 74.22 111.183 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 616' ' ' TYR . . . . . . . . . . . . . 24.6 p90 -141.32 -40.42 0.39 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 73.3 110.958 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 617' ' ' VAL . . . . . . . . . . . . . 9.3 p -69.17 -33.92 60.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.059 -0.518 . . . . 70.5 111.137 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 618' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.67 -51.44 67.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.496 . . . . 71.34 110.839 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 619' ' ' LEU . . . . . . . . . . . . . 4.5 pp -75.71 -21.54 57.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 73.4 110.896 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 620' ' ' LYS . . . . . . . . . . . . . 13.5 ttmm -74.53 -39.85 62.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.242 -0.435 . . . . 74.05 110.853 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 49.0 t0 -71.2 -45.89 62.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.262 -0.426 . . . . 64.15 110.878 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -63.23 -33.86 76.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 73.45 110.949 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 623' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -66.64 -45.32 79.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 75.34 110.894 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -55.78 -54.44 44.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 73.22 110.901 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 4.2 t -62.04 -34.3 75.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 75.42 111.156 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 626' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.1 -53.58 55.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 65.42 110.904 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 627' ' ' VAL . . . . . . . . . . . . . 8.3 t -59.84 -55.41 24.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.283 -0.417 . . . . 73.51 111.09 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 628' ' ' HIS . . . . . 0.446 ' HA ' ' HB ' ' A' ' 632' ' ' ILE . 5.8 m-70 -53.51 -27.06 23.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 64.13 110.863 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 629' ' ' THR . . . . . . . . . . . . . 52.2 m -75.97 -31.24 58.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.256 -0.429 . . . . 73.23 111.149 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -53.01 -51.21 62.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 73.11 111.137 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 10.8 t 169.9 66.66 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 75.55 110.845 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 632' ' ' ILE . . . . . 0.446 ' HB ' ' HA ' ' A' ' 628' ' ' HIS . 1.9 mp -120.37 -76.63 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 71.41 111.147 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 633' ' ' ALA . . . . . . . . . . . . . . . -104.6 140.17 20.81 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.661 0.743 . . . . 70.41 111.114 179.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 634' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -43.98 2.32 Favored 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.624 2.216 . . . . 74.33 112.362 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 635' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -76.52 -12.87 60.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 74.43 110.967 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -79.87 -2.48 43.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 73.42 110.935 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 637' ' ' ARG . . . . . . . . . . . . . 78.6 mtp180 -65.17 114.83 4.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 72.4 110.847 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 638' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -51.49 -29.06 15.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 75.24 110.877 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 639' ' ' GLY . . . . . . . . . . . . . . . 105.14 -53.83 0.64 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.721 -0.752 . . . . 71.52 112.484 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 640' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -60.99 160.53 20.31 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.61 0.719 . . . . 71.2 110.906 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.74 122.05 8.74 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.697 2.265 . . . . 72.24 112.309 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 642' ' ' VAL . . . . . . . . . . . . . 5.5 m -114.06 139.16 23.33 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.617 0.723 . . . . 74.41 111.173 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 128.24 15.82 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.641 2.228 . . . . 71.22 112.396 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 11.1 tp60 -65.47 -19.61 66.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.182 -0.463 . . . . 75.1 110.911 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -69.21 -38.07 78.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 72.32 110.9 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 646' ' ' LEU . . . . . . . . . . . . . 59.6 mt -75.27 -53.79 8.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.49 . . . . 64.22 110.939 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 647' ' ' LEU . . . . . . . . . . . . . 34.9 mt -52.46 -43.74 65.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 74.33 110.929 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -61.65 -48.83 79.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 75.04 110.805 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -60.79 -44.34 96.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 75.35 110.848 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 650' ' ' VAL . . . . . . . . . . . . . 62.1 t -54.63 -48.6 71.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 74.45 111.107 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 1.3 mp -71.43 -25.22 62.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 75.31 110.95 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -66.95 -49.1 66.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.471 . . . . 75.1 111.137 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -71.06 -49.31 46.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.441 . . . . 55.44 111.068 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 654' ' ' HIS . . . . . . . . . . . . . 20.5 m-70 -58.23 -31.42 67.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 72.2 110.903 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -70.96 -46.88 61.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 74.22 111.096 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 85.7 t80 -67.98 -44.9 75.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.283 -0.417 . . . . 75.54 110.93 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 657' ' ' TRP . . . . . . . . . . . . . 20.8 m95 -64.13 -43.9 93.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.09 -0.505 . . . . 73.12 110.873 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 38.4 m -62.79 -31.84 72.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 54.34 110.813 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 659' ' ' GLN . . . . . . . . . . . . . 18.8 tp60 -57.28 -24.37 54.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 75.14 110.899 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -136.0 54.43 1.9 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 64.53 110.918 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -110.01 -74.72 0.64 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 74.44 110.863 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 662' ' ' GLY . . . . . . . . . . . . . . . 155.6 -39.08 0.61 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.694 -0.765 . . . . 63.44 112.447 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 2.3 tmtm? 64.01 102.14 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.679 0.276 . . . . 75.3 110.908 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -52.07 -45.89 64.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 63.33 110.908 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 665' ' ' HIS . . . . . . . . . . . . . 6.1 m80 -87.72 65.99 8.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 75.03 110.882 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 666' ' ' VAL . . . . . . . . . . . . . 14.2 p -54.59 147.27 3.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 65.44 111.114 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -108.89 160.64 26.62 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.657 0.741 . . . . 73.14 110.889 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 668' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 78.58 1.01 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.71 2.274 . . . . 73.54 112.361 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 669' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -173.51 -175.15 1.08 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 75.32 110.851 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 670' ' ' LYS . . . . . . . . . . . . . 15.3 ttpt -67.39 131.58 45.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 65.15 110.915 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 671' ' ' ILE . . . . . . . . . . . . . 4.4 pt -147.56 -178.12 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 74.35 111.177 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 30.4 tp -159.91 136.78 9.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.225 -0.443 . . . . 72.01 110.898 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 673' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -111.84 159.86 17.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 74.25 110.787 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -177.0 177.69 1.24 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.138 -0.483 . . . . 65.41 111.052 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -170.38 -175.47 1.93 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 72.44 110.902 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . -124.64 135.76 53.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 72.44 111.103 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -111.06 172.19 7.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 70.51 110.938 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 678' ' ' LYS . . . . . . . . . . . . . 37.2 tttt -106.52 114.58 28.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 70.14 110.915 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 679' ' ' VAL . . . . . . . . . . . . . 12.0 p -151.36 138.05 12.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 74.14 111.136 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 680' ' ' GLY . . . . . . . . . . . . . . . -135.26 -78.96 0.1 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.707 -0.759 . . . . 54.24 112.435 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 681' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 120.707 0.289 . . . . 75.24 111.075 -179.99 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 561' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo . . . . . 0 C--O 1.232 0.194 0 CA-C-O 120.794 0.248 . . . . 64.34 112.382 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 562' ' ' VAL . . . . . . . . . . . . . 30.6 m -65.43 -25.5 37.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 75.11 111.103 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 563' ' ' ASN . . . . . . . . . . . . . 18.5 t30 -102.44 72.05 1.24 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 75.52 110.929 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -102.17 -175.24 2.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.466 . . . . 75.12 110.939 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 565' ' ' LYS . . . . . . . . . . . . . 33.1 mtpt -126.29 87.31 2.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 74.2 110.888 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 2.2 t -115.1 106.31 13.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.248 -0.433 . . . . 74.05 110.866 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 567' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.43 157.02 47.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 65.42 110.961 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 23.9 ptt180 -154.06 149.51 27.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 64.41 110.843 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 16.4 t -90.87 120.08 31.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 63.21 110.856 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 17.9 tp10 -119.82 142.87 48.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.081 -0.509 . . . . 74.14 110.883 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 9.0 mp -113.82 70.67 0.73 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.482 . . . . 71.43 110.96 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 2.2 m -113.65 162.2 16.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.457 . . . . 72.44 110.887 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 573' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -114.3 105.97 13.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 73.22 110.879 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 574' ' ' ARG . . . . . . . . . . . . . 20.7 ttm-85 -127.75 121.07 29.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.193 -0.458 . . . . 74.12 110.82 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -105.3 53.58 0.72 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 73.43 110.895 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 576' ' ' ILE . . . . . . . . . . . . . 49.2 mt -124.8 116.43 47.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.483 . . . . 70.43 111.123 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 29.3 ptt85 -150.69 173.29 14.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 71.31 110.858 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 578' ' ' ARG . . . . . . . . . . . . . 24.6 mtp85 -114.07 160.1 33.72 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.555 0.693 . . . . 75.2 110.914 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 134.3 27.68 Favored 'Trans proline' 0 N--CA 1.466 -0.131 0 C-N-CA 122.737 2.291 . . . . 64.35 112.351 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 580' ' ' PHE . . . . . . . . . . . . . 8.6 p90 -92.65 136.84 32.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 75.34 110.85 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 50.9 m -102.33 -179.01 3.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.122 -0.49 . . . . 53.44 110.843 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 582' ' ' VAL . . . . . . . . . . . . . 91.1 t -60.64 -42.49 91.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 71.03 111.136 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -70.01 -31.64 69.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 71.11 111.138 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 584' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -75.28 -55.23 5.92 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.228 -0.442 . . . . 73.42 110.926 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 585' ' ' VAL . . . . . . . . . . . . . 98.2 t -54.75 -34.17 29.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 74.43 111.143 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -51.35 -31.04 20.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 73.4 110.861 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 587' ' ' ALA . . . . . . . . . . . . . . . -70.18 -37.44 75.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 74.13 111.104 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 588' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.93 -54.73 41.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 75.23 110.897 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 589' ' ' VAL . . . . . . . . . . . . . 7.7 p -66.41 -43.67 91.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.128 -0.487 . . . . 73.41 111.207 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -52.47 -47.77 66.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 73.4 110.869 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -67.03 -34.67 78.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.481 . . . . 73.21 111.097 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 592' ' ' VAL . . . . . 0.406 ' O ' ' CA ' ' A' ' 596' ' ' GLY . 24.1 t -74.21 -26.29 20.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.452 . . . . 72.22 111.152 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.54 -40.47 63.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.485 . . . . 74.05 110.918 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -86.01 -47.09 9.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.071 -0.513 . . . . 74.54 110.872 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 595' ' ' LEU . . . . . . . . . . . . . 17.3 mt -79.29 -23.85 43.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 62.42 110.862 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 596' ' ' GLY . . . . . 0.406 ' CA ' ' O ' ' A' ' 592' ' ' VAL . . . 87.87 -151.19 22.84 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.748 -0.739 . . . . 42.01 112.453 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 6.6 p -116.89 29.51 7.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.783 0.325 . . . . 75.33 111.113 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 598' ' ' GLY . . . . . . . . . . . . . . . -127.71 -4.0 5.82 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.709 -0.758 . . . . 44.43 112.51 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 599' ' ' ARG . . . . . . . . . . . . . 32.1 mtt180 -124.3 79.85 1.78 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.807 0.337 . . . . 71.34 110.876 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 600' ' ' TRP . . . . . . . . . . . . . 15.7 m0 -67.65 -48.54 66.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.205 -0.452 . . . . 75.24 110.924 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 601' ' ' ARG . . . . . . . . . . . . . 33.5 mmt180 -52.82 -47.93 67.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.441 . . . . 74.54 110.868 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 602' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -62.53 -36.34 82.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 72.41 110.831 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 55.2 t -62.95 -31.99 54.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 75.25 111.06 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 14.2 ttmm -70.13 -48.85 55.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 71.31 110.897 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 605' ' ' MET . . . . . . . . . . . . . 6.0 ptm -71.4 -31.22 67.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 72.33 110.938 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 606' ' ' ARG . . . . . . . . . . . . . 7.0 tpm_? -77.02 -41.1 44.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 73.35 110.848 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -85.24 -69.23 0.67 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 74.14 111.062 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 608' ' ' PHE . . . . . . . . . . . . . 72.0 m-85 -70.9 124.91 25.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 75.24 110.904 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -71.75 -34.24 69.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 74.54 110.873 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 49.9 p-10 -98.28 39.27 1.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 72.12 110.907 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 611' ' ' ALA . . . . . . . . . . . . . . . -59.67 -173.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 74.34 111.094 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 63.29 24.29 14.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 70.32 110.84 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 613' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 -133.72 -43.88 0.82 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 74.35 110.854 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 614' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -100.79 156.43 17.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 73.31 110.909 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 615' ' ' THR . . . . . . . . . . . . . 4.3 m -74.41 158.11 34.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 60.44 111.176 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 616' ' ' TYR . . . . . . . . . . . . . 27.6 p90 -61.1 -22.01 64.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.445 . . . . 74.1 110.907 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 617' ' ' VAL . . . . . . . . . . . . . 14.7 p -51.34 -33.11 13.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.061 -0.518 . . . . 75.12 111.1 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 618' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.32 -51.0 67.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 72.42 110.797 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 619' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -71.49 -25.07 62.11 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.226 -0.443 . . . . 75.02 110.904 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 620' ' ' LYS . . . . . . . . . . . . . 21.8 tttt -69.37 -38.92 78.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 72.14 110.892 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -71.57 -44.45 64.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.446 . . . . 73.45 110.899 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.16 -31.23 71.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 74.53 110.881 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 623' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -71.57 -53.97 12.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 73.51 110.903 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 9.6 tmtt? -57.32 -48.91 77.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 75.15 110.89 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 12.3 t -62.07 -30.93 71.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.295 -0.411 . . . . 75.55 111.169 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 626' ' ' LEU . . . . . . . . . . . . . 2.6 mt -64.8 -54.74 26.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 74.33 110.909 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 627' ' ' VAL . . . . . . . . . . . . . 3.9 t -57.37 -55.64 19.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 72.2 111.084 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 628' ' ' HIS . . . . . 0.439 ' HA ' ' HB ' ' A' ' 632' ' ' ILE . 12.1 m80 -52.94 -30.3 33.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 74.42 110.824 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 629' ' ' THR . . . . . . . . . . . . . 39.9 m -79.44 -29.75 41.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.25 -0.432 . . . . 74.52 111.129 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -54.13 -49.87 68.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.267 -0.424 . . . . 71.31 111.089 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 171.02 67.58 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 74.44 110.829 -179.775 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 632' ' ' ILE . . . . . 0.439 ' HB ' ' HA ' ' A' ' 628' ' ' HIS . 1.7 mp -118.24 -66.13 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 75.54 111.137 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 633' ' ' ALA . . . . . . . . . . . . . . . -101.84 155.87 35.9 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.542 0.687 . . . . 43.34 111.118 179.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 634' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.87 -40.46 5.13 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.643 2.229 . . . . 73.21 112.334 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 635' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -64.99 -17.14 64.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 73.34 110.87 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 -81.99 -32.37 30.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 71.43 110.897 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 637' ' ' ARG . . . . . . . . . . . . . 11.1 ttt180 -83.96 150.65 25.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.255 -0.43 . . . . 70.44 110.858 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 638' ' ' ARG . . . . . . . . . . . . . 4.1 tpp180 63.74 97.73 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 75.03 110.828 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 639' ' ' GLY . . . . . . . . . . . . . . . 169.55 -131.74 2.35 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.734 -0.746 . . . . 75.4 112.512 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 640' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -52.1 159.97 1.33 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.728 0.775 . . . . 70.24 110.817 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 120.41 7.19 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.686 2.258 . . . . 72.24 112.267 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 642' ' ' VAL . . . . . . . . . . . . . 2.1 p -134.24 131.46 20.65 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.587 0.708 . . . . 75.44 111.11 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 128.64 16.35 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.657 2.238 . . . . 65.02 112.366 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -75.65 -19.27 59.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.255 -0.43 . . . . 73.32 110.893 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -70.7 -38.85 73.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 62.33 110.861 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 646' ' ' LEU . . . . . . . . . . . . . 13.3 mt -75.51 -46.05 34.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 73.41 110.903 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 647' ' ' LEU . . . . . . . . . . . . . 39.4 mt -60.12 -52.1 66.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 74.55 110.912 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -56.4 -48.7 76.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 64.31 110.879 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 36.7 mmm-85 -65.24 -28.41 69.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 72.31 110.872 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 650' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -69.92 -47.01 71.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 74.1 111.108 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 27.5 mt -72.82 -25.75 61.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.173 -0.467 . . . . 63.33 110.885 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -67.12 -52.56 40.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 73.32 111.095 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -68.56 -53.06 25.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 73.14 111.1 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 654' ' ' HIS . . . . . . . . . . . . . 64.0 m170 -54.52 -30.62 54.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 75.54 110.839 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -69.79 -46.99 64.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.259 -0.428 . . . . 74.11 111.173 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 66.8 t80 -69.16 -48.98 60.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 73.33 110.963 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 657' ' ' TRP . . . . . . . . . . . . . 21.8 m95 -58.62 -41.23 85.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 74.42 110.896 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 19.9 t -71.25 -30.66 66.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.436 . . . . 64.14 110.812 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 659' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -57.06 -26.37 60.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 64.33 110.903 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 10.0 mm-40 -80.52 -25.95 38.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.459 . . . . 70.05 110.901 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 57.9 mt-30 -77.69 172.78 12.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 73.33 110.885 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 662' ' ' GLY . . . . . . . . . . . . . . . -113.27 62.61 0.31 Allowed Glycine 0 C--N 1.331 0.258 0 C-N-CA 120.647 -0.787 . . . . 61.11 112.416 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 2.5 mppt? -137.88 159.21 42.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.752 0.31 . . . . 75.04 110.923 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -151.44 144.54 24.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 73.54 110.924 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 665' ' ' HIS . . . . . . . . . . . . . 54.1 t60 -141.98 146.77 35.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 73.3 110.835 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 666' ' ' VAL . . . . . . . . . . . . . 18.3 m -121.38 134.56 64.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.459 . . . . 71.13 111.1 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -136.02 157.55 75.59 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.659 0.742 . . . . 63.42 110.917 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 668' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 164.23 35.34 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.699 2.266 . . . . 74.02 112.348 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 669' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -156.4 170.72 21.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 64.44 110.864 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 670' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.14 138.07 12.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 75.34 110.964 179.832 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 671' ' ' ILE . . . . . . . . . . . . . 7.9 tt -54.44 126.36 11.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.271 -0.422 . . . . 74.45 111.158 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 17.1 mt -133.14 155.71 48.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.458 . . . . 75.2 110.958 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 673' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -58.48 143.43 45.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 72.12 110.885 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -123.75 147.1 47.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 72.25 111.116 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -172.91 137.2 0.72 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.454 . . . . 70.12 110.872 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . -130.43 160.36 34.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 72.0 111.141 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 47.1 tt0 -111.41 110.84 21.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.447 . . . . 63.32 110.923 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 678' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -82.3 90.27 6.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.249 -0.432 . . . . 75.21 110.819 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 679' ' ' VAL . . . . . . . . . . . . . 28.3 t -68.43 144.75 14.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 74.35 111.123 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 680' ' ' GLY . . . . . . . . . . . . . . . -98.07 -143.04 14.05 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.749 -0.738 . . . . 75.33 112.503 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 681' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-O 120.734 0.302 . . . . 71.25 111.08 -179.989 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 561' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.892 0.288 . . . . 74.33 112.363 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 562' ' ' VAL . . . . . . . . . . . . . 43.1 t -101.38 -56.6 5.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 64.45 111.14 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 563' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -95.71 175.16 6.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 73.1 110.918 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 82.4 mm-40 -126.43 -71.48 0.69 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 74.34 110.948 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 565' ' ' LYS . . . . . . . . . . . . . 4.7 mtmp? -65.38 110.42 2.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 73.33 110.938 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -126.87 136.73 52.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.049 0.452 . . . . 74.23 110.821 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 567' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -54.56 172.45 0.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 73.42 110.933 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 13.1 ptt85 -152.53 131.37 12.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.251 -0.431 . . . . 73.3 110.778 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 3.5 p -116.99 151.55 36.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 74.42 110.863 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -93.19 147.63 22.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 65.53 110.978 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -171.79 159.3 5.2 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.2 -0.455 . . . . 74.14 110.923 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 10.9 t -120.45 140.31 51.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 73.35 110.895 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 573' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -150.51 -178.38 6.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 73.43 110.961 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 574' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.34 130.27 52.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 74.41 110.842 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.35 139.3 0.44 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 74.33 110.828 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 576' ' ' ILE . . . . . . . . . . . . . 7.8 tp -57.95 146.48 7.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 72.3 111.103 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -122.27 157.98 30.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 62.51 110.884 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 578' ' ' ARG . . . . . . . . . . . . . 16.7 mmm180 -72.86 158.86 86.6 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.581 0.705 . . . . 72.32 110.88 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.68 134.65 28.69 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.747 2.298 . . . . 73.51 112.318 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 580' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -86.45 123.84 32.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 71.31 110.881 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 1.2 m -76.02 158.1 32.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 73.14 110.889 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 582' ' ' VAL . . . . . . . . . . . . . 84.8 t -52.94 -37.77 26.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.48 . . . . 71.11 111.132 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -71.99 -33.7 68.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 73.23 111.125 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 584' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -74.78 -56.08 5.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 75.13 110.887 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 585' ' ' VAL . . . . . . . . . . . . . 2.6 p -54.2 -32.49 23.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 73.24 111.16 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -49.94 -30.36 10.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.483 . . . . 72.42 110.902 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 587' ' ' ALA . . . . . . . . . . . . . . . -76.45 -40.64 49.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 75.13 111.117 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 588' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -56.5 -50.66 71.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 74.32 110.896 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 589' ' ' VAL . . . . . 0.411 ' HA ' HG13 ' A' ' 592' ' ' VAL . 18.5 t -63.72 -56.72 15.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.473 . . . . 75.24 111.121 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -55.16 -27.7 47.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 75.3 110.815 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -75.21 -45.91 37.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 53.31 111.045 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 592' ' ' VAL . . . . . 0.411 HG13 ' HA ' ' A' ' 589' ' ' VAL . 10.7 p -74.72 -25.92 19.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 74.23 111.169 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -72.8 -42.17 64.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.124 -0.489 . . . . 72.43 110.904 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 51.0 t-80 -84.25 -46.6 11.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 73.05 110.913 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 595' ' ' LEU . . . . . . . . . . . . . 11.0 mt -79.52 -16.06 56.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.207 -0.451 . . . . 60.42 110.875 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 596' ' ' GLY . . . . . . . . . . . . . . . 83.29 167.14 41.07 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.709 -0.758 . . . . 74.54 112.501 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 2.0 p -77.9 -2.25 35.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.843 0.354 . . . . 73.21 111.124 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 598' ' ' GLY . . . . . . . . . . . . . . . -104.23 17.4 47.83 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.771 -0.728 . . . . 72.21 112.483 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 599' ' ' ARG . . . . . . . . . . . . . 90.3 mtt180 -135.18 66.32 1.53 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.796 0.332 . . . . 74.34 110.904 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 600' ' ' TRP . . . . . . . . . . . . . 12.3 m0 -60.02 -50.51 73.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 64.12 110.932 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 601' ' ' ARG . . . . . . . . . . . . . 56.7 mtm180 -52.95 -47.36 68.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 64.11 110.875 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 602' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -64.03 -34.41 77.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 74.24 110.812 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 57.3 t -65.69 -32.62 59.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.277 -0.42 . . . . 72.33 111.118 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 15.6 ttpp -68.92 -48.64 62.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 75.53 110.865 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 605' ' ' MET . . . . . . . . . . . . . 25.8 ptm -73.11 -31.37 64.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 64.34 110.905 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 606' ' ' ARG . . . . . . . . . . . . . 17.6 tpp180 -73.24 -40.69 64.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.226 -0.443 . . . . 74.42 110.909 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -89.97 -69.59 0.71 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 43.01 111.091 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 608' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -70.88 125.16 26.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 73.53 110.868 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -71.47 -34.13 69.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 73.34 110.911 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -100.41 55.74 0.9 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.24 -0.437 . . . . 71.23 110.871 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 611' ' ' ALA . . . . . . . . . . . . . . . -86.43 52.04 2.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 73.41 111.08 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -97.0 -67.89 0.83 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 74.05 110.874 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 613' ' ' HIS . . . . . . . . . . . . . 46.8 m-70 -103.43 24.36 11.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 74.15 110.847 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 614' ' ' ARG . . . . . . . . . . . . . 8.7 mmt180 -89.11 156.32 18.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 71.44 110.878 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 615' ' ' THR . . . . . . . . . . . . . 4.1 t -89.24 159.83 17.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 72.41 111.172 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 616' ' ' TYR . . . . . . . . . . . . . 11.4 p90 -86.96 -19.11 29.24 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.217 -0.447 . . . . 71.52 110.961 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 617' ' ' VAL . . . . . . . . . . . . . 14.9 p -71.56 -33.11 48.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 54.45 111.111 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 618' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -54.86 -51.02 67.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 75.13 110.88 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 619' ' ' LEU . . . . . . . . . . . . . 1.5 pp -71.87 -32.45 67.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 75.04 110.925 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 620' ' ' LYS . . . . . . . . . . . . . 4.9 tmtt? -63.7 -38.85 92.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 75.05 110.92 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -71.78 -41.16 68.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 61.34 110.847 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 9.2 mmtm -55.28 -41.43 72.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 75.32 110.891 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 623' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -68.73 -50.64 49.06 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.246 -0.434 . . . . 75.22 110.961 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -51.71 -54.89 23.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 75.21 110.926 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 15.2 t -61.16 -30.67 70.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.255 -0.43 . . . . 64.52 111.121 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 626' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.53 -49.9 74.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 72.41 110.954 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 627' ' ' VAL . . . . . . . . . . . . . 91.1 t -58.1 -54.64 29.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 74.41 111.164 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 628' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -53.61 -27.31 26.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 73.4 110.868 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 629' ' ' THR . . . . . . . . . . . . . 48.7 m -78.21 -28.83 48.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 64.05 111.119 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 630' ' ' ALA . . . . . 0.403 ' O ' ' CB ' ' A' ' 631' ' ' SER . . . -53.17 -50.77 63.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 73.44 111.09 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 631' ' ' SER . . . . . 0.403 ' CB ' ' O ' ' A' ' 630' ' ' ALA . 0.4 OUTLIER 167.73 67.19 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 52.44 110.856 -179.763 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 632' ' ' ILE . . . . . . . . . . . . . 1.7 mp -110.59 -66.54 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 64.34 111.104 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 633' ' ' ALA . . . . . . . . . . . . . . . -103.45 138.7 19.61 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.574 0.702 . . . . 75.22 111.059 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 634' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -41.79 4.03 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.728 2.286 . . . . 73.41 112.287 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 635' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -76.17 -11.93 60.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 75.32 110.903 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 -78.88 -25.26 43.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 71.31 110.966 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 637' ' ' ARG . . . . . . . . . . . . . 52.6 ttt180 -84.66 113.7 21.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 72.24 110.882 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 638' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.29 -31.87 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 74.21 110.881 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 639' ' ' GLY . . . . . . . . . . . . . . . -59.56 -166.94 0.21 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.685 -0.769 . . . . 73.34 112.571 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 640' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -48.58 160.2 0.48 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.65 0.738 . . . . 74.43 110.871 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 121.95 8.63 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.643 2.229 . . . . 72.32 112.382 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 642' ' ' VAL . . . . . . . . . . . . . 15.0 t -104.42 133.92 19.95 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.673 0.749 . . . . 75.33 111.138 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.85 128.4 15.89 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.643 2.229 . . . . 72.34 112.261 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 66.2 tt0 -65.27 -17.38 64.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 75.43 110.986 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -68.05 -47.55 68.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 70.53 110.814 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 646' ' ' LEU . . . . . . . . . . . . . 18.5 mt -74.69 -33.45 62.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 74.25 110.902 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 647' ' ' LEU . . . . . . . . . . . . . 94.5 mt -72.5 -52.13 17.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 64.53 110.927 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -61.25 -30.59 70.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 64.54 110.882 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 12.2 mtt-85 -72.42 -45.25 60.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 60.33 110.897 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 650' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -61.81 -32.5 54.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 73.44 111.094 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -71.31 -42.83 68.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 71.21 110.949 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -54.44 -47.78 72.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 75.44 111.148 179.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -75.92 -42.57 48.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 72.32 111.048 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 654' ' ' HIS . . . . . . . . . . . . . 16.2 t-80 -54.52 -45.47 73.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.428 . . . . 64.24 110.852 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -77.36 -46.06 24.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.215 -0.448 . . . . 73.51 111.104 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -54.48 -49.98 68.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.13 -0.486 . . . . 75.3 110.932 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 657' ' ' TRP . . . . . . . . . . . . . 68.7 m95 -70.72 -33.02 70.41 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.112 -0.495 . . . . 74.45 110.923 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 27.3 t -64.28 -32.15 73.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 63.23 110.835 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 659' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -57.78 -24.45 57.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.102 -0.499 . . . . 63.42 110.878 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 6.5 tp60 61.89 56.71 2.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 73.41 110.935 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -51.79 -32.45 31.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 73.02 110.911 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 662' ' ' GLY . . . . . . . . . . . . . . . 161.41 90.53 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.667 -0.777 . . . . 73.43 112.452 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.52 -67.75 0.6 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.703 0.287 . . . . 72.22 110.897 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 9.1 tm0? -174.16 161.68 3.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 62.11 110.916 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 665' ' ' HIS . . . . . . . . . . . . . 22.9 m-70 -67.47 125.53 26.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 75.41 110.883 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 666' ' ' VAL . . . . . . . . . . . . . 43.3 t -144.14 147.09 19.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 71.41 111.132 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.59 157.58 49.38 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.625 0.726 . . . . 74.42 110.875 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 668' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 139.17 39.47 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.661 2.241 . . . . 63.2 112.364 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 669' ' ' LEU . . . . . . . . . . . . . 21.1 tp -153.37 128.63 9.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 75.23 110.956 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 670' ' ' LYS . . . . . . . . . . . . . 23.0 tptt -112.17 154.13 25.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 75.4 110.884 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 671' ' ' ILE . . . . . . . . . . . . . 48.4 mm -134.42 141.32 43.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 73.43 111.158 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -86.51 148.54 25.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 71.32 110.901 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 673' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -149.15 171.0 17.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 71.21 110.811 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -141.44 127.5 19.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 74.31 111.088 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 2.1 mmmp? -126.24 166.21 17.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 72.3 110.872 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . -150.94 147.64 27.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 73.31 111.051 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -173.76 150.26 1.68 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 75.22 110.942 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 678' ' ' LYS . . . . . . . . . . . . . 22.0 ttpp -71.28 144.53 49.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 74.44 110.95 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 679' ' ' VAL . . . . . . . . . . . . . 35.4 m -119.81 175.53 4.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 72.24 111.114 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 680' ' ' GLY . . . . . . . . . . . . . . . 79.25 82.92 0.67 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.7 -0.762 . . . . 75.33 112.456 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 681' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.344 0 CA-C-O 120.769 0.319 . . . . 74.24 111.088 179.982 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 561' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.232 0.194 0 CA-C-O 120.829 0.262 . . . . 53.34 112.299 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 562' ' ' VAL . . . . . . . . . . . . . 23.5 t -132.78 100.1 3.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.277 -0.419 . . . . 74.33 111.087 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 563' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -139.69 170.8 15.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 74.42 110.883 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 4.4 pp0? -125.57 -178.88 4.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 64.11 110.939 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 565' ' ' LYS . . . . . . . . . . . . . 76.3 mttt -140.4 140.16 35.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.461 . . . . 74.3 110.939 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 8.7 m -96.97 144.21 27.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.278 -0.419 . . . . 74.21 110.825 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 567' ' ' LYS . . . . . . . . . . . . . 47.6 mttt -130.65 177.69 7.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.098 -0.501 . . . . 71.23 110.89 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.76 -178.62 5.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 72.04 110.888 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 29.5 m -87.3 144.03 26.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 74.34 110.797 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -120.09 179.14 4.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.11 -0.495 . . . . 70.42 110.838 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -155.33 120.85 4.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 73.35 110.895 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 56.7 p -150.7 153.16 35.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 75.31 110.886 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 573' ' ' GLN . . . . . . . . . . . . . 83.6 mm-40 -127.8 73.49 1.46 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.156 -0.474 . . . . 73.52 110.946 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 574' ' ' ARG . . . . . . . . . . . . . 15.6 mmm180 -121.65 69.42 0.92 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 73.23 110.857 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 22.2 ptt180 -52.22 142.67 16.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 63.3 110.892 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 576' ' ' ILE . . . . . . . . . . . . . 31.6 mt -129.88 146.35 34.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 71.44 111.102 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 25.8 mmm180 -107.39 113.24 26.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 71.22 110.843 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 578' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.98 157.96 51.41 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.563 0.697 . . . . 73.02 110.93 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 86.61 0.57 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.667 2.245 . . . . 73.14 112.383 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 580' ' ' PHE . . . . . . . . . . . . . 11.5 p90 -92.75 136.61 33.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 75.55 110.886 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 1.2 m -103.93 169.83 8.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.081 -0.508 . . . . 55.52 110.897 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 582' ' ' VAL . . . . . . . . . . . . . 96.7 t -51.49 -41.22 26.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 74.3 111.184 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -70.49 -31.47 68.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 75.0 111.1 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 584' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -74.92 -55.65 5.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.256 -0.429 . . . . 71.43 110.878 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 585' ' ' VAL . . . . . . . . . . . . . 92.0 t -54.85 -34.12 29.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 65.52 111.102 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -51.21 -31.45 20.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 53.43 110.888 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 587' ' ' ALA . . . . . . . . . . . . . . . -69.1 -44.89 71.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.488 . . . . 62.21 111.117 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 588' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.37 -51.22 63.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 72.22 110.927 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 589' ' ' VAL . . . . . . . . . . . . . 7.4 p -71.37 -43.66 73.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 75.12 111.105 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -52.76 -47.82 67.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 74.24 110.919 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -68.84 -33.71 74.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 65.5 111.124 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 592' ' ' VAL . . . . . 0.409 ' O ' ' CA ' ' A' ' 596' ' ' GLY . 40.6 t -74.77 -26.06 19.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 74.41 111.146 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.5 -40.04 64.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 65.42 110.899 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 63.1 m170 -85.93 -46.89 10.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.441 . . . . 73.32 110.922 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 595' ' ' LEU . . . . . . . . . . . . . 9.6 mt -79.76 -24.02 41.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 74.33 110.937 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 596' ' ' GLY . . . . . 0.409 ' CA ' ' O ' ' A' ' 592' ' ' VAL . . . 89.55 -177.43 43.74 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.722 -0.751 . . . . 61.4 112.529 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -92.82 21.0 5.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.854 0.359 . . . . 73.22 111.205 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 598' ' ' GLY . . . . . . . . . . . . . . . -125.87 11.87 7.35 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.761 -0.733 . . . . 33.43 112.52 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 599' ' ' ARG . . . . . . . . . . . . . 46.9 mtt-85 -135.21 70.41 1.44 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.827 0.346 . . . . 75.22 110.926 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 600' ' ' TRP . . . . . . . . . . . . . 5.2 m0 -63.14 -49.32 74.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 75.41 110.92 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 601' ' ' ARG . . . . . . . . . . . . . 34.7 mtt-85 -52.78 -40.03 62.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 74.55 110.908 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 602' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -72.12 -31.55 66.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 75.45 110.884 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 75.0 t -64.34 -38.66 83.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 75.32 111.106 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 37.9 tttp -72.09 -42.69 65.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 75.22 110.915 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 605' ' ' MET . . . . . . . . . . . . . 23.4 mtp -70.97 -31.58 68.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 74.21 110.843 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 606' ' ' ARG . . . . . . . . . . . . . 13.1 ttm-85 -81.54 -40.34 23.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 74.2 110.897 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -84.56 -70.26 0.59 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 72.41 111.042 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 608' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -71.12 125.43 26.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.277 -0.419 . . . . 74.42 110.836 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -69.49 -34.16 73.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.107 -0.497 . . . . 73.44 110.881 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -91.48 68.06 5.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 72.34 110.873 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 611' ' ' ALA . . . . . . . . . . . . . . . -134.85 97.43 3.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 72.32 111.085 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -123.85 -50.84 1.82 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 75.22 110.884 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 613' ' ' HIS . . . . . . . . . . . . . 10.8 t60 -135.78 25.99 3.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 74.45 110.847 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 614' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -94.09 155.94 16.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 73.51 110.843 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 615' ' ' THR . . . . . . . . . . . . . 4.7 t -74.93 161.64 29.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.167 -0.47 . . . . 64.3 111.166 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 616' ' ' TYR . . . . . . . . . . . . . 21.0 p90 -98.65 23.75 8.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 74.43 110.996 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 617' ' ' VAL . . . . . . . . . . . . . 14.5 p -71.67 -33.63 49.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.107 -0.497 . . . . 75.44 111.102 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 618' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.02 -51.08 69.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 75.31 110.845 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 619' ' ' LEU . . . . . . . . . . . . . 1.3 pp -68.88 -23.29 64.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.174 -0.466 . . . . 63.15 110.895 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 620' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.11 -39.52 82.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.452 . . . . 72.51 110.935 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -71.55 -49.75 37.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 74.3 110.911 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 1.4 tppp? -58.93 -27.78 65.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 75.32 110.936 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 623' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -74.32 -54.45 7.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 72.03 110.928 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.09 -40.67 46.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.258 -0.428 . . . . 74.02 110.877 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 9.4 t -75.71 -37.66 59.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 73.23 111.119 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 626' ' ' LEU . . . . . . . . . . . . . 1.6 mt -56.53 -55.97 27.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.43 . . . . 65.25 110.916 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 627' ' ' VAL . . . . . . . . . . . . . 14.2 t -60.81 -55.69 22.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 75.23 111.114 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 628' ' ' HIS . . . . . 0.431 ' HA ' ' HB ' ' A' ' 632' ' ' ILE . 1.2 m80 -54.07 -28.69 40.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 73.31 110.831 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 629' ' ' THR . . . . . . . . . . . . . 21.5 m -79.8 -29.27 40.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 72.34 111.14 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -52.85 -49.82 64.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 62.41 111.074 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 168.26 66.85 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 74.32 110.779 -179.809 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 632' ' ' ILE . . . . . 0.431 ' HB ' ' HA ' ' A' ' 628' ' ' HIS . 2.4 mp -128.84 -74.51 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.096 -0.502 . . . . 74.11 111.169 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 633' ' ' ALA . . . . . . . . . . . . . . . -102.91 145.11 29.97 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.617 0.722 . . . . 64.32 111.05 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 634' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.71 -48.31 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.683 2.255 . . . . 61.23 112.367 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 635' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -73.92 -14.16 61.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 74.35 110.864 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 11.2 mm100 -81.27 -0.17 39.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 71.41 110.875 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 637' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.93 114.41 13.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 73.5 110.925 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 638' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -54.58 136.04 45.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 61.14 110.814 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 639' ' ' GLY . . . . . . . . . . . . . . . -51.94 -62.08 5.94 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.702 -0.761 . . . . 51.54 112.537 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 640' ' ' GLU . . . . . . . . . . . . . 11.0 mp0 -57.43 160.76 6.66 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.641 0.734 . . . . 72.04 110.873 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.63 121.31 8.03 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.758 2.305 . . . . 72.14 112.375 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 642' ' ' VAL . . . . . . . . . . . . . 4.8 t -101.83 132.55 21.52 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.64 0.733 . . . . 73.31 111.137 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 128.51 16.11 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.652 2.235 . . . . 74.05 112.324 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -64.54 -23.04 67.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 73.12 110.933 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -59.29 -45.88 90.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 74.54 110.907 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 646' ' ' LEU . . . . . . . . . . . . . 28.5 mt -73.26 -53.09 11.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 70.23 110.881 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 647' ' ' LEU . . . . . . . . . . . . . 42.3 mt -53.22 -52.23 59.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.141 -0.481 . . . . 72.21 110.893 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 38.7 t0 -56.45 -40.86 75.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 64.23 110.944 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -67.37 -36.12 80.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.107 -0.497 . . . . 74.21 110.913 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 650' ' ' VAL . . . . . . . . . . . . . 25.1 t -64.89 -55.03 22.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 73.12 111.147 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 30.8 mt -62.79 -24.3 67.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 75.34 110.944 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -68.75 -52.66 28.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 73.41 111.017 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -76.22 -50.4 14.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 75.45 111.092 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 654' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -52.64 -31.32 36.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.435 . . . . 72.21 110.879 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -76.01 -46.86 27.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 73.11 111.056 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 93.8 t80 -64.86 -38.13 89.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 74.51 110.932 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 657' ' ' TRP . . . . . . . . . . . . . 19.5 m95 -70.11 -39.29 75.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.128 -0.487 . . . . 75.31 110.938 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 2.0 t -57.02 -50.62 72.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.2 -0.454 . . . . 74.21 110.885 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 659' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -64.57 -23.13 67.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.15 -0.477 . . . . 73.44 110.946 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -126.78 53.35 1.69 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.144 -0.48 . . . . 74.51 110.877 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 61.0 tp60 -106.9 -74.91 0.64 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.268 -0.424 . . . . 74.22 110.985 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 662' ' ' GLY . . . . . . . . . . . . . . . 158.08 -27.25 0.44 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.764 -0.731 . . . . 73.42 112.498 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 15.0 pttt -53.64 172.24 0.07 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.731 0.3 . . . . 64.11 110.859 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -65.25 105.65 1.16 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.259 -0.428 . . . . 74.04 110.876 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 665' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -176.38 173.51 2.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.482 . . . . 74.44 110.912 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 666' ' ' VAL . . . . . . . . . . . . . 91.1 t -72.01 91.84 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 73.24 111.112 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -136.04 157.51 75.67 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.591 0.71 . . . . 73.41 110.928 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 668' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.67 -171.01 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.687 2.258 . . . . 74.0 112.384 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 669' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -110.12 153.48 24.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 74.31 110.939 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 670' ' ' LYS . . . . . . . . . . . . . 58.2 tttt -101.24 132.45 46.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.273 -0.422 . . . . 75.32 110.878 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 671' ' ' ILE . . . . . . . . . . . . . 32.3 mm -98.51 145.56 9.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 74.25 111.099 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -156.41 177.23 11.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.117 -0.492 . . . . 73.35 110.982 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 673' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -147.0 145.6 29.78 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.206 -0.452 . . . . 71.23 110.856 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -115.11 173.16 6.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 75.5 111.077 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -119.22 77.84 1.24 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.448 . . . . 65.14 110.929 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . -98.52 132.68 43.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 74.43 110.998 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.36 178.13 7.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 74.35 110.925 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 678' ' ' LYS . . . . . . . . . . . . . 1.5 tmtm? -113.81 132.26 55.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 74.5 110.869 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 679' ' ' VAL . . . . . . . . . . . . . 44.1 t -61.5 100.83 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 74.01 111.107 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 680' ' ' GLY . . . . . . . . . . . . . . . -111.81 140.41 16.14 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.744 -0.741 . . . . 72.21 112.428 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 681' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-O 120.777 0.322 . . . . 70.34 111.065 179.991 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 561' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 N--CA 1.465 -0.153 0 CA-C-O 120.838 0.266 . . . . 72.43 112.355 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 562' ' ' VAL . . . . . . . . . . . . . 64.2 t -105.56 83.48 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 65.11 111.145 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 563' ' ' ASN . . . . . . . . . . . . . 15.6 p-10 -85.36 151.54 23.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 73.31 110.873 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -157.21 107.55 2.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 73.51 110.904 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 565' ' ' LYS . . . . . . . . . . . . . 43.2 pttt -136.92 111.39 8.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 73.44 110.916 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 1.3 p -124.1 129.01 50.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 64.41 110.86 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 567' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.03 110.38 16.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 70.23 110.911 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 2.8 mpp_? -114.22 26.95 9.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 74.3 110.857 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 75.8 m -102.73 111.64 24.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 72.24 110.89 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -171.42 147.88 2.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.08 -0.509 . . . . 72.12 110.911 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -156.42 168.24 27.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 73.44 110.942 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 20.2 t -170.61 109.21 0.34 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 72.12 110.851 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 573' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -160.51 106.8 1.51 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 74.45 110.912 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 574' ' ' ARG . . . . . . . . . . . . . 4.1 tpt180 -175.87 159.69 2.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 75.52 110.872 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 20.4 ptt180 -86.21 54.88 3.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 73.14 110.873 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 576' ' ' ILE . . . . . . . . . . . . . 44.4 pt -77.83 170.26 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 74.12 111.14 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 5.0 ptm180 -127.23 50.78 1.96 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 75.54 110.834 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 578' ' ' ARG . . . . . . . . . . . . . 29.9 mtt-85 -113.97 160.1 33.58 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.661 0.743 . . . . 62.31 110.849 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -170.37 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.735 2.29 . . . . 75.44 112.327 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 580' ' ' PHE . . . . . . . . . . . . . 7.7 p90 -63.79 144.13 57.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 72.34 110.892 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 6.5 m -106.67 -177.88 3.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 75.13 110.898 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 582' ' ' VAL . . . . . . . . . . . . . 99.0 t -51.22 -38.52 19.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 75.23 111.103 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -69.55 -36.96 76.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.489 . . . . 71.23 111.096 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 584' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -71.42 -51.18 25.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.263 -0.426 . . . . 52.23 110.903 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 585' ' ' VAL . . . . . . . . . . . . . 70.3 t -53.96 -34.17 25.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 73.34 111.095 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -52.01 -38.05 55.47 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.165 -0.47 . . . . 74.33 110.852 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 587' ' ' ALA . . . . . . . . . . . . . . . -62.67 -32.4 73.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 75.41 111.151 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 588' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -71.52 -55.53 7.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 75.14 110.853 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 589' ' ' VAL . . . . . . . . . . . . . 5.7 p -63.31 -46.36 95.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 73.24 111.136 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 61.9 mt-10 -52.59 -48.14 66.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 75.43 110.882 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -67.42 -35.29 78.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 71.3 111.066 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 592' ' ' VAL . . . . . 0.407 ' O ' ' CA ' ' A' ' 596' ' ' GLY . 12.3 t -70.3 -27.42 31.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 73.14 111.122 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -75.02 -36.09 61.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 71.15 110.906 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -86.09 -48.7 8.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 65.03 110.875 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 595' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -80.39 -24.52 39.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 75.34 110.961 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 596' ' ' GLY . . . . . 0.407 ' CA ' ' O ' ' A' ' 592' ' ' VAL . . . 88.71 -162.27 31.46 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.722 -0.751 . . . . 61.12 112.48 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 13.8 p -107.23 26.71 9.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.85 0.357 . . . . 71.55 111.164 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 598' ' ' GLY . . . . . . . . . . . . . . . -131.04 0.05 5.23 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.841 -0.695 . . . . 61.14 112.542 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 599' ' ' ARG . . . . . . . . . . . . . 54.2 mtm-85 -125.43 80.31 1.88 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.859 0.361 . . . . 73.01 110.863 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 600' ' ' TRP . . . . . . . . . . . . . 9.4 m0 -67.89 -50.35 56.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 74.12 111.002 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 601' ' ' ARG . . . . . . . . . . . . . 30.3 mmm-85 -53.1 -48.43 67.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 75.52 110.871 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 602' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -61.53 -38.7 88.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 72.42 110.904 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 45.8 t -66.58 -31.53 53.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 72.11 111.134 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 32.0 tptt -64.75 -47.05 79.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 73.44 110.839 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 605' ' ' MET . . . . . . . . . . . . . 9.8 ptm -72.82 -31.52 64.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 74.43 110.867 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 606' ' ' ARG . . . . . . . . . . . . . 7.3 tpm_? -73.78 -40.9 63.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 70.03 110.886 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -90.01 -70.34 0.67 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 75.41 111.173 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 608' ' ' PHE . . . . . . . . . . . . . 43.5 m-85 -71.2 125.51 27.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 73.1 110.792 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -70.12 -33.05 71.35 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.182 -0.463 . . . . 63.42 110.882 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -100.94 63.21 1.01 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 61.21 110.927 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 611' ' ' ALA . . . . . . . . . . . . . . . -103.49 54.66 0.75 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 73.14 111.033 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -86.42 -72.12 0.52 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.196 -0.456 . . . . 73.33 110.862 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 613' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -115.21 25.85 10.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 71.54 110.916 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 614' ' ' ARG . . . . . . . . . . . . . 10.4 mmt180 -87.69 156.39 19.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 71.33 110.934 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 615' ' ' THR . . . . . . . . . . . . . 15.1 t -74.33 163.66 27.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 64.3 111.165 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 616' ' ' TYR . . . . . . . . . . . . . 17.4 p90 -107.29 -28.76 9.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.331 -0.395 . . . . 71.53 110.916 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 617' ' ' VAL . . . . . . . . . . . . . 10.7 p -51.37 -33.3 14.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.094 -0.503 . . . . 73.22 111.173 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 618' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.2 -50.56 69.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.486 . . . . 72.35 110.837 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 619' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.26 -25.92 64.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 74.14 110.922 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 620' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.73 -43.39 72.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 74.25 110.836 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -71.71 -30.01 65.17 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.313 -0.403 . . . . 74.53 110.899 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.88 -45.27 86.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 75.12 110.836 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 623' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -67.11 -46.91 72.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.277 -0.419 . . . . 74.53 110.949 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 21.0 tttt -50.8 -49.93 57.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 73.22 110.872 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 13.8 t -71.29 -28.63 64.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 74.03 111.122 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 626' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.85 -55.8 28.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 75.22 110.932 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 627' ' ' VAL . . . . . . . . . . . . . 4.8 p -61.63 -42.04 92.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 63.3 111.079 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 628' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -62.15 -26.77 68.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 71.02 110.891 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 629' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -79.44 -28.85 41.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 71.34 111.144 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -52.67 -48.72 66.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 73.11 111.133 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 14.6 t 176.29 66.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 74.11 110.861 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 632' ' ' ILE . . . . . . . . . . . . . 2.7 mp -135.04 -72.68 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.083 -0.508 . . . . 73.23 111.103 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 633' ' ' ALA . . . . . . . . . . . . . . . -103.01 139.13 19.83 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.528 0.68 . . . . 73.04 111.105 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 634' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.63 -41.38 4.49 Favored 'Trans proline' 0 N--CA 1.465 -0.184 0 C-N-CA 122.69 2.26 . . . . 71.11 112.445 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 635' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -73.89 -13.12 60.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 65.54 110.901 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -80.28 -34.0 37.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 71.3 110.879 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 637' ' ' ARG . . . . . . . . . . . . . 16.1 ttp85 -84.57 112.7 20.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.425 . . . . 75.33 110.923 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 638' ' ' ARG . . . . . . . . . . . . . 11.7 tpt180 178.74 147.32 0.18 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 72.51 110.911 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 639' ' ' GLY . . . . . . . . . . . . . . . 99.99 85.0 1.83 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.708 -0.758 . . . . 73.12 112.518 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 640' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 62.11 161.21 0.12 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.729 0.776 . . . . 73.23 110.845 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 129.33 17.4 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.709 2.273 . . . . 73.14 112.371 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 642' ' ' VAL . . . . . . . . . . . . . 3.1 t -90.28 132.58 35.32 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.619 0.723 . . . . 60.21 111.124 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.87 128.86 16.53 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.67 2.247 . . . . 74.4 112.296 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 20.5 tt0 -68.82 -24.46 64.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 50.34 110.903 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -62.64 -47.7 82.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 75.51 110.873 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 646' ' ' LEU . . . . . . . . . . . . . 12.1 mt -71.0 -51.6 24.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 71.53 110.976 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 647' ' ' LEU . . . . . . . . . . . . . 96.5 mt -55.37 -37.1 67.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 75.43 110.942 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -61.93 -49.46 76.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 72.53 110.845 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 11.6 mmp_? -68.64 -31.76 71.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 60.44 110.866 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 650' ' ' VAL . . . . . . . . . . . . . 77.5 t -61.48 -48.83 87.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 74.33 111.15 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 7.9 mp -71.02 -26.58 63.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.104 -0.498 . . . . 54.53 110.846 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -68.72 -45.9 70.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 74.1 111.086 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -75.83 -45.98 32.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 63.4 111.068 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 654' ' ' HIS . . . . . . . . . . . . . 26.3 t-80 -53.82 -43.61 69.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.446 . . . . 62.32 110.841 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -77.43 -46.94 21.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 74.25 111.077 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 81.3 t80 -54.22 -49.73 68.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 72.55 110.984 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 657' ' ' TRP . . . . . . . . . . . . . 76.6 m95 -70.25 -32.36 70.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 73.13 110.976 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 30.5 t -69.34 -35.2 75.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 74.14 110.908 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 659' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -85.19 -46.62 10.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 74.02 110.946 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -141.89 77.35 1.58 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 72.31 110.929 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -54.28 101.37 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.447 . . . . 75.54 110.911 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 662' ' ' GLY . . . . . . . . . . . . . . . -146.89 143.19 11.1 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.735 -0.745 . . . . 73.11 112.479 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 31.3 mtmt -51.86 139.61 21.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.695 0.284 . . . . 74.53 110.933 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 46.5 tp60 -130.08 165.08 22.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 74.32 110.925 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 665' ' ' HIS . . . . . . . . . . . . . 78.0 m-70 -119.47 132.92 55.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 74.31 110.847 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 666' ' ' VAL . . . . . . . . . . . . . 19.3 m -148.73 -173.91 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 70.3 111.104 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -104.06 136.31 19.21 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.713 0.768 . . . . 74.01 110.852 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 668' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -171.09 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.664 2.243 . . . . 74.22 112.35 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 669' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -173.47 113.88 0.22 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 73.45 110.871 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 670' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.34 170.03 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 75.04 110.912 179.799 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 671' ' ' ILE . . . . . . . . . . . . . 15.9 tt -155.69 145.27 12.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 74.04 111.067 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 14.7 tp -125.37 162.55 24.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.472 . . . . 74.53 110.959 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 673' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -129.01 126.8 40.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 63.0 110.901 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -118.01 -29.46 5.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 71.3 111.112 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 43.2 tttp -54.45 118.51 4.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.472 . . . . 75.42 110.921 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . -100.37 -63.97 1.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 64.41 111.096 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 2.2 pp0? -124.8 170.26 11.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 75.32 110.914 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 678' ' ' LYS . . . . . . . . . . . . . 24.5 tttp -111.2 172.29 6.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 72.35 110.935 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 679' ' ' VAL . . . . . . . . . . . . . 12.2 p -100.18 -31.18 3.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 71.25 111.166 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 680' ' ' GLY . . . . . . . . . . . . . . . 66.17 49.66 56.29 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.712 -0.756 . . . . 64.34 112.495 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 681' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-O 120.792 0.33 . . . . 73.22 111.09 179.992 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 581' ' ' SER . . . . . 0.782 ' O ' HG12 ' A' ' 585' ' ' VAL . 1.4 m . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.855 0.36 . . . . 70.41 110.894 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 582' ' ' VAL . . . . . . . . . . . . . 15.2 m -51.49 -38.72 21.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 72.52 111.13 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -69.58 -38.23 77.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 75.13 111.127 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 584' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -71.31 -55.25 8.41 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.157 -0.474 . . . . 70.01 110.9 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 585' ' ' VAL . . . . . 0.782 HG12 ' O ' ' A' ' 581' ' ' SER . 2.9 p -60.23 -33.31 53.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.15 -0.477 . . . . 73.54 111.076 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -50.91 -30.46 14.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 61.12 110.845 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 587' ' ' ALA . . . . . . . . . . . . . . . -78.85 -37.46 40.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 44.24 111.075 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 588' ' ' LEU . . . . . 0.457 ' O ' HG23 ' A' ' 592' ' ' VAL . 0.2 OUTLIER -56.54 -49.6 74.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 73.43 110.882 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 589' ' ' VAL . . . . . 0.512 HG22 HG22 ' A' ' 650' ' ' VAL . 25.4 t -69.37 -55.03 16.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 75.12 111.12 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 75.1 mt-10 -50.74 -43.0 57.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.223 -0.444 . . . . 74.35 110.896 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 591' ' ' ALA . . . . . 0.651 ' HB3' HG13 ' A' ' 603' ' ' VAL . . . -68.33 -40.11 81.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.47 . . . . 31.13 111.124 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 592' ' ' VAL . . . . . 0.465 HG11 ' CZ3' ' A' ' 623' ' ' TRP . 24.3 t -69.57 -26.78 31.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.259 -0.428 . . . . 73.34 111.127 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -73.91 -36.2 64.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 62.32 110.814 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 68.2 m80 -86.28 -47.61 9.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.188 -0.46 . . . . 72.21 110.855 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 595' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -80.07 -24.12 40.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.426 . . . . 75.45 110.908 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 596' ' ' GLY . . . . . . . . . . . . . . . 82.41 -175.31 53.57 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.717 -0.754 . . . . 72.55 112.461 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 7.2 p -93.57 24.91 3.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.815 0.34 . . . . 75.21 111.18 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 598' ' ' GLY . . . . . . . . . . . . . . . -122.91 -11.58 5.28 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.675 -0.774 . . . . 52.44 112.48 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 599' ' ' ARG . . . . . 0.513 ' O ' HG23 ' A' ' 603' ' ' VAL . 39.4 mtt-85 -125.61 76.87 1.61 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.783 0.325 . . . . 64.31 110.892 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 600' ' ' TRP . . . . . . . . . . . . . 4.6 m0 -69.42 -42.8 74.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 72.41 110.889 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 601' ' ' ARG . . . . . . . . . . . . . 9.9 ptm180 -52.89 -44.04 66.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.284 -0.416 . . . . 70.14 110.898 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 602' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -67.57 -38.38 83.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 62.41 110.87 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 603' ' ' VAL . . . . . 0.651 HG13 ' HB3' ' A' ' 591' ' ' ALA . 55.8 t -58.98 -38.88 76.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 71.13 111.197 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 28.7 tptt -72.06 -36.51 69.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 73.2 110.864 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 605' ' ' MET . . . . . . . . . . . . . 23.6 mtt -72.82 -34.86 67.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.274 -0.421 . . . . 61.12 110.925 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 606' ' ' ARG . . . . . . . . . . . . . 39.0 ttm-85 -81.09 -40.16 24.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.268 -0.423 . . . . 73.1 110.97 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -79.5 -67.13 0.79 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 71.54 111.074 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 608' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.191 -0.459 . . . . 61.4 110.88 -179.889 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 616' ' ' TYR . . . . . . . . . . . . . 22.5 p90 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.903 0.382 . . . . 73.42 110.881 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 617' ' ' VAL . . . . . . . . . . . . . 11.1 p -70.18 -33.68 55.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 71.22 111.145 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 618' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.98 -50.59 60.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 75.35 110.903 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 619' ' ' LEU . . . . . 0.599 HD13 HG11 ' A' ' 603' ' ' VAL . 1.1 pp -69.95 -25.77 63.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 74.02 110.95 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 620' ' ' LYS . . . . . . . . . . . . . 37.9 tptt -70.24 -37.0 74.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 74.0 110.934 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -71.71 -44.3 64.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 63.11 110.83 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.14 -39.6 82.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 75.1 110.941 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 623' ' ' TRP . . . . . 0.465 ' CZ3' HG11 ' A' ' 592' ' ' VAL . 15.3 t-105 -69.86 -46.27 65.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 75.03 110.93 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.65 -48.5 49.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.265 -0.425 . . . . 71.14 110.901 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 11.2 t -72.58 -28.2 62.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.25 -0.432 . . . . 74.33 111.19 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 626' ' ' LEU . . . . . 0.679 HD22 HG21 ' A' ' 650' ' ' VAL . 0.4 OUTLIER -63.86 -55.58 21.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 65.25 110.887 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 627' ' ' VAL . . . . . 0.649 ' O ' HD13 ' A' ' 632' ' ' ILE . 4.7 p -59.28 -44.97 93.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 74.21 111.165 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 628' ' ' HIS . . . . . 0.44 ' N ' HG13 ' A' ' 627' ' ' VAL . 1.1 m-70 -60.5 -27.36 67.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 73.43 110.799 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 629' ' ' THR . . . . . . . . . . . . . 10.7 m -76.06 -29.43 58.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 71.15 111.107 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 630' ' ' ALA . . . . . 0.653 ' HA ' HD13 ' A' ' 647' ' ' LEU . . . -53.13 -49.29 66.85 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.253 -0.43 . . . . 74.23 111.143 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 631' ' ' SER . . . . . 0.727 ' C ' HD12 ' A' ' 632' ' ' ILE . 0.4 OUTLIER 170.28 68.79 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 70.42 110.831 -179.841 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 632' ' ' ILE . . . . . 0.727 HD12 ' C ' ' A' ' 631' ' ' SER . 2.5 mp -130.57 -75.84 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 73.44 111.116 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 633' ' ' ALA . . . . . 0.473 ' N ' HG22 ' A' ' 632' ' ' ILE . . . . . . . . 0 C--N 1.33 -0.266 0 CA-C-O 121.561 0.696 . . . . 63.04 111.152 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.172 0 CA-C-O 120.795 0.248 . . . . 73.44 112.374 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 642' ' ' VAL . . . . . 0.718 HG21 HD11 ' A' ' 647' ' ' LEU . 13.6 m -121.01 140.11 30.38 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.618 0.723 . . . . 71.32 111.081 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 128.88 16.7 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.617 2.211 . . . . 50.41 112.389 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -63.19 -16.83 61.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 74.43 110.897 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -70.23 -39.19 75.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.247 -0.433 . . . . 61.24 110.865 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 646' ' ' LEU . . . . . 0.66 ' O ' HG23 ' A' ' 650' ' ' VAL . 53.4 mt -75.19 -52.17 11.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 72.44 110.892 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 647' ' ' LEU . . . . . 0.718 HD11 HG21 ' A' ' 642' ' ' VAL . 47.3 mt -51.54 -34.54 36.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 72.1 110.969 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.96 -46.71 56.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 62.34 110.83 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 36.7 mmt-85 -65.27 -35.66 81.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 74.5 110.884 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 650' ' ' VAL . . . . . 0.679 HG21 HD22 ' A' ' 626' ' ' LEU . 97.0 t -64.07 -51.88 63.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 72.21 111.116 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 651' ' ' LEU . . . . . 0.7 HD21 HD11 ' A' ' 632' ' ' ILE . 12.7 mt -61.69 -26.54 68.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 72.31 110.887 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -66.17 -49.32 67.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 54.54 111.153 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -74.12 -43.81 56.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 73.53 111.152 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 654' ' ' HIS . . . . . 0.531 ' CG ' HG21 ' A' ' 627' ' ' VAL . 26.8 t-80 -57.52 -42.91 83.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 64.23 110.84 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -76.94 -46.82 22.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 64.35 111.101 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -56.48 -49.61 74.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.275 -0.42 . . . . 74.22 110.963 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 657' ' ' TRP . . . . . . . . . . . . . 72.1 m95 -70.58 -30.34 67.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.115 -0.493 . . . . 75.54 110.968 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 9.0 t -59.61 -36.41 76.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.224 -0.444 . . . . 74.31 110.86 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 659' ' ' GLN . . . . . . . . . . . . . 42.7 tt0 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 72.14 110.977 -179.969 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 9.3 m . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.979 0.419 . . . . 71.22 110.839 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 582' ' ' VAL . . . . . . . . . . . . . 92.2 t -54.46 -38.14 40.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 75.2 111.167 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -69.31 -47.57 64.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 52.44 111.102 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 584' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -63.2 -54.8 31.83 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.242 -0.436 . . . . 72.22 110.893 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 585' ' ' VAL . . . . . 0.604 ' O ' HG12 ' A' ' 589' ' ' VAL . 59.7 t -57.53 -34.31 46.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 75.0 111.084 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 586' ' ' GLU . . . . . 0.45 ' HG2' HD21 ' A' ' 646' ' ' LEU . 7.2 mt-10 -59.96 -42.39 93.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 74.22 110.878 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 587' ' ' ALA . . . . . . . . . . . . . . . -69.05 -33.93 74.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 54.23 111.169 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 588' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.42 -55.13 12.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 53.14 110.948 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 589' ' ' VAL . . . . . 0.973 HG11 HD22 ' A' ' 646' ' ' LEU . 4.7 p -62.33 -47.63 92.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 75.11 111.124 179.789 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 590' ' ' GLU . . . . . 0.49 ' N ' HG13 ' A' ' 589' ' ' VAL . 95.6 mt-10 -59.18 -29.07 67.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 72.33 110.831 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 591' ' ' ALA . . . . . 0.62 ' HB3' HG13 ' A' ' 603' ' ' VAL . . . -74.44 -43.53 55.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 63.24 111.03 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 592' ' ' VAL . . . . . 0.444 HG23 ' HA ' ' A' ' 597' ' ' THR . 7.3 p -76.28 -25.92 16.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.279 -0.419 . . . . 72.53 111.181 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 593' ' ' GLU . . . . . 0.526 ' OE1' ' HB2' ' A' ' 653' ' ' ALA . 0.2 OUTLIER -73.02 -41.64 64.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.131 -0.486 . . . . 73.11 110.875 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 14.4 t60 -84.36 -46.86 11.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 72.34 110.869 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 595' ' ' LEU . . . . . 0.583 HD11 ' CB ' ' A' ' 606' ' ' ARG . 12.5 mt -79.74 -17.57 53.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 71.35 110.869 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 596' ' ' GLY . . . . . . . . . . . . . . . 85.12 164.61 38.93 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.797 -0.716 . . . . 74.33 112.49 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 597' ' ' THR . . . . . 0.444 ' HA ' HG23 ' A' ' 592' ' ' VAL . 0.7 OUTLIER -74.47 -5.73 44.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.839 0.352 . . . . 62.3 111.119 -179.88 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 598' ' ' GLY . . . . . . . . . . . . . . . -101.34 20.1 48.39 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.782 -0.723 . . . . 71.21 112.476 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 599' ' ' ARG . . . . . 0.736 ' O ' HG23 ' A' ' 603' ' ' VAL . 8.0 mtp180 -139.75 64.05 1.47 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.824 0.345 . . . . 73.45 110.885 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 600' ' ' TRP . . . . . . . . . . . . . 16.5 m0 -60.72 -50.26 74.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 72.22 110.876 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 601' ' ' ARG . . . . . . . . . . . . . 25.8 mmm-85 -53.08 -43.28 66.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 72.31 110.873 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 602' ' ' ASP . . . . . 0.548 ' C ' HD13 ' A' ' 595' ' ' LEU . 1.9 m-20 -67.83 -31.05 70.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 73.21 110.943 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 603' ' ' VAL . . . . . 0.736 HG23 ' O ' ' A' ' 599' ' ' ARG . 70.5 t -66.47 -34.64 71.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 75.25 111.148 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 16.4 tptp -71.97 -44.64 63.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 71.45 110.87 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 605' ' ' MET . . . . . . . . . . . . . 23.0 mmm -72.92 -31.54 64.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.214 -0.448 . . . . 55.43 110.845 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 606' ' ' ARG . . . . . 0.583 ' CB ' HD11 ' A' ' 595' ' ' LEU . 7.3 ttm-85 -77.71 -40.64 40.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 75.34 110.833 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -86.92 -70.84 0.59 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 74.4 111.068 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 608' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 75.42 110.882 -179.869 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 616' ' ' TYR . . . . . . . . . . . . . 15.8 p90 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.906 0.384 . . . . 60.34 110.912 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 617' ' ' VAL . . . . . . . . . . . . . 12.0 p -71.75 -33.6 49.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 63.53 111.096 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 618' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.69 -50.66 71.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.271 -0.422 . . . . 73.03 110.877 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 619' ' ' LEU . . . . . 0.487 HD13 ' CG1' ' A' ' 603' ' ' VAL . 1.1 pp -66.89 -28.22 68.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 74.13 110.993 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 620' ' ' LYS . . . . . . . . . . . . . 39.3 mtpt -68.06 -35.08 77.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 75.21 110.922 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -71.6 -49.8 36.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 73.24 110.871 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 18.3 mtmt -55.03 -41.76 71.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 72.13 110.876 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 623' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -68.65 -49.61 57.75 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.244 -0.435 . . . . 73.32 110.933 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -52.26 -53.81 39.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.264 -0.426 . . . . 73.04 110.88 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 14.8 t -62.04 -29.23 70.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 61.42 111.154 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 626' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.92 -53.96 45.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 72.25 110.928 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 627' ' ' VAL . . . . . 0.597 ' O ' HD13 ' A' ' 632' ' ' ILE . 55.0 t -59.08 -54.62 31.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 71.22 111.154 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 628' ' ' HIS . . . . . 0.534 ' HA ' HD13 ' A' ' 632' ' ' ILE . 0.3 OUTLIER -53.09 -29.03 28.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 75.34 110.886 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 629' ' ' THR . . . . . . . . . . . . . 24.1 m -74.62 -30.06 61.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 73.41 111.186 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 630' ' ' ALA . . . . . 0.675 ' HA ' HD13 ' A' ' 647' ' ' LEU . . . -54.04 -50.13 67.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 72.34 111.019 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 631' ' ' SER . . . . . 0.711 ' C ' HD12 ' A' ' 632' ' ' ILE . 11.5 t 173.2 69.06 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 71.23 110.915 -179.758 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 632' ' ' ILE . . . . . 0.711 HD12 ' C ' ' A' ' 631' ' ' SER . 2.6 mp -129.73 -75.95 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 74.41 111.084 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 633' ' ' ALA . . . . . 0.464 ' N ' HG22 ' A' ' 632' ' ' ILE . . . . . . . . 0 C--N 1.33 -0.282 0 CA-C-O 121.557 0.694 . . . . 75.21 111.117 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--O 1.232 0.19 0 CA-C-O 120.875 0.281 . . . . 73.51 112.243 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 642' ' ' VAL . . . . . 0.73 HG21 HD11 ' A' ' 647' ' ' LEU . 19.8 m -100.34 139.67 20.85 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-O 121.625 0.726 . . . . 65.23 111.138 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.91 129.47 17.49 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.617 2.212 . . . . 73.44 112.322 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 11.9 tm0? -61.43 -18.39 58.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.469 . . . . 74.05 110.932 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -65.45 -40.65 93.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 74.22 110.913 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 646' ' ' LEU . . . . . 0.973 HD22 HG11 ' A' ' 589' ' ' VAL . 62.5 mt -75.37 -53.08 9.32 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.192 -0.458 . . . . 62.52 110.892 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 647' ' ' LEU . . . . . 0.73 HD11 HG21 ' A' ' 642' ' ' VAL . 52.2 mt -53.32 -42.85 67.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 63.5 110.912 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -72.56 -30.21 64.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 73.35 110.853 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 3.1 mmt-85 -71.39 -48.77 47.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 63.02 110.847 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 650' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -62.42 -33.2 58.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 62.53 111.142 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 1.1 mp -71.38 -36.28 71.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 63.11 110.941 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -62.4 -46.1 90.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 71.41 111.167 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 653' ' ' ALA . . . . . 0.526 ' HB2' ' OE1' ' A' ' 593' ' ' GLU . . . -75.61 -48.98 19.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 73.22 111.083 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 654' ' ' HIS . . . . . . . . . . . . . 37.6 t-80 -53.31 -41.09 65.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 73.23 110.906 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -77.2 -46.85 21.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 72.13 111.07 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 76.3 t80 -55.26 -49.56 71.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 74.2 110.976 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 657' ' ' TRP . . . . . . . . . . . . . 60.8 m95 -70.44 -36.35 73.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.491 . . . . 75.13 110.961 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 1.8 t -53.86 -34.94 60.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 71.4 110.867 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 659' ' ' GLN . . . . . . . . . . . . . 36.5 mm-40 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.089 -0.505 . . . . 74.42 110.955 -179.973 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 20.3 m . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.87 0.367 . . . . 44.33 110.888 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 582' ' ' VAL . . . . . . . . . . . . . 97.9 t -51.77 -29.62 10.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 71.11 111.167 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -69.15 -45.29 70.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 75.23 111.107 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 584' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -68.22 -53.91 21.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 62.24 110.828 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 585' ' ' VAL . . . . . 0.795 HG13 HD11 ' A' ' 626' ' ' LEU . 38.4 t -54.31 -34.45 27.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.477 . . . . 64.41 111.134 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 586' ' ' GLU . . . . . 0.574 ' HG3' HD11 ' A' ' 646' ' ' LEU . 18.6 mt-10 -62.0 -51.69 67.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 70.2 110.894 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 587' ' ' ALA . . . . . . . . . . . . . . . -65.13 -40.89 95.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 71.12 111.146 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 588' ' ' LEU . . . . . 0.447 ' O ' HG23 ' A' ' 592' ' ' VAL . 0.2 OUTLIER -58.32 -54.24 49.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 75.42 110.913 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 589' ' ' VAL . . . . . 0.517 HG21 ' HB3' ' A' ' 646' ' ' LEU . 58.3 t -65.92 -54.32 28.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.137 -0.483 . . . . 65.11 111.101 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -50.61 -47.38 58.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.133 -0.485 . . . . 61.22 110.905 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 591' ' ' ALA . . . . . 0.635 ' HB3' HG13 ' A' ' 603' ' ' VAL . . . -66.12 -38.04 87.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.088 -0.505 . . . . 45.41 111.116 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 592' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 588' ' ' LEU . 13.0 t -69.56 -26.99 32.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 74.03 111.123 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.7 -36.53 65.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.451 . . . . 75.32 110.953 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -85.63 -47.53 9.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 63.31 110.885 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 595' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -79.84 -24.25 41.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.208 -0.451 . . . . 75.43 110.931 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 596' ' ' GLY . . . . . . . . . . . . . . . 83.05 -174.48 52.67 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.699 -0.762 . . . . 52.03 112.502 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 1.9 p -93.64 23.4 4.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.837 0.351 . . . . 63.32 111.131 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 598' ' ' GLY . . . . . . . . . . . . . . . -122.11 -13.67 4.83 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.736 -0.745 . . . . 74.02 112.474 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 599' ' ' ARG . . . . . 0.587 ' O ' HG23 ' A' ' 603' ' ' VAL . 18.4 mtt180 -119.75 78.13 1.3 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.84 0.352 . . . . 73.41 110.882 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 600' ' ' TRP . . . . . . . . . . . . . 2.7 m0 -68.71 -50.16 53.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 72.01 110.911 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 601' ' ' ARG . . . . . . . . . . . . . 90.9 mtt180 -52.86 -40.98 63.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 71.32 110.868 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 602' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -68.07 -30.41 69.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 60.12 110.872 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 603' ' ' VAL . . . . . 0.635 HG13 ' HB3' ' A' ' 591' ' ' ALA . 52.6 t -72.8 -32.54 40.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 74.11 111.143 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 6.2 ttpm? -71.4 -41.96 68.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 75.41 110.875 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 605' ' ' MET . . . . . . . . . . . . . 19.9 ptp -72.87 -31.57 64.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 65.11 110.908 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 606' ' ' ARG . . . . . . . . . . . . . 2.9 ttt85 -80.63 -40.63 25.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 63.5 110.857 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -80.25 -68.95 0.63 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 61.44 111.107 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 608' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 65.41 110.81 -179.886 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 616' ' ' TYR . . . . . . . . . . . . . 24.6 p90 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.897 0.379 . . . . 73.05 110.924 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 617' ' ' VAL . . . . . . . . . . . . . 10.1 p -71.45 -33.62 50.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.097 -0.502 . . . . 74.44 111.111 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 618' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -51.5 -50.74 59.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 70.01 110.924 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 619' ' ' LEU . . . . . . . . . . . . . 1.2 pp -60.58 -26.13 66.73 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.207 -0.451 . . . . 62.41 110.842 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 620' ' ' LYS . . . . . . . . . . . . . 9.6 ttmt -71.0 -34.22 71.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 64.31 110.93 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -71.23 -41.02 70.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 72.34 110.867 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 9.6 mmtt -66.4 -33.64 76.16 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.232 -0.44 . . . . 64.13 110.858 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 623' ' ' TRP . . . . . . . . . . . . . 1.1 t90 -69.18 -52.1 31.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.22 -0.446 . . . . 73.42 110.976 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.75 -54.94 19.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.284 -0.416 . . . . 71.11 110.903 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 7.2 t -59.86 -32.22 70.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.273 -0.421 . . . . 71.13 111.176 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 626' ' ' LEU . . . . . 0.795 HD11 HG13 ' A' ' 585' ' ' VAL . 0.3 OUTLIER -60.74 -53.67 54.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 44.22 110.935 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 627' ' ' VAL . . . . . 0.595 ' O ' HD13 ' A' ' 632' ' ' ILE . 76.4 t -54.43 -52.13 42.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 75.3 111.101 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 628' ' ' HIS . . . . . 0.515 ' CE1' HG21 ' A' ' 632' ' ' ILE . 1.6 m-70 -52.35 -34.66 48.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 75.4 110.851 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 629' ' ' THR . . . . . . . . . . . . . 19.7 m -71.06 -29.43 65.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 55.11 111.145 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 630' ' ' ALA . . . . . 0.649 ' HA ' HD13 ' A' ' 647' ' ' LEU . . . -54.4 -49.94 68.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.249 -0.432 . . . . 75.13 111.085 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 631' ' ' SER . . . . . 0.727 ' C ' HD12 ' A' ' 632' ' ' ILE . 11.6 t 173.61 68.76 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.216 -0.447 . . . . 62.43 110.888 -179.748 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 632' ' ' ILE . . . . . 0.727 HD12 ' C ' ' A' ' 631' ' ' SER . 2.2 mp -128.52 -74.33 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 75.44 111.123 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 633' ' ' ALA . . . . . 0.484 ' N ' HG22 ' A' ' 632' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-O 121.577 0.703 . . . . 72.25 111.106 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.141 0 CA-C-O 120.814 0.256 . . . . 63.25 112.306 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 642' ' ' VAL . . . . . 0.496 HG23 ' HD2' ' A' ' 643' ' ' PRO . 4.4 p -91.98 134.41 28.81 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.587 0.708 . . . . 75.25 111.177 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 643' ' ' PRO . . . . . 0.496 ' HD2' HG23 ' A' ' 642' ' ' VAL . 54.5 Cg_endo -69.8 128.87 16.61 Favored 'Trans proline' 0 C--N 1.34 0.131 0 C-N-CA 122.739 2.293 . . . . 73.5 112.332 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -67.36 -20.63 65.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 74.13 110.915 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -65.38 -42.82 92.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 71.13 110.921 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 646' ' ' LEU . . . . . 0.574 HD11 ' HG3' ' A' ' 586' ' ' GLU . 26.9 mt -75.39 -40.17 58.24 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.187 -0.461 . . . . 74.22 110.903 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 647' ' ' LEU . . . . . 0.649 HD13 ' HA ' ' A' ' 630' ' ' ALA . 50.6 mt -68.07 -37.95 81.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 74.32 110.935 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 39.5 t0 -73.07 -30.69 63.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.187 -0.461 . . . . 75.22 110.897 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 11.0 mmp_? -74.96 -49.19 20.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.168 -0.469 . . . . 73.33 110.875 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 650' ' ' VAL . . . . . . . . . . . . . 1.4 p -60.34 -33.13 52.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 55.33 111.1 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 651' ' ' LEU . . . . . 0.516 ' CD1' ' HB1' ' A' ' 630' ' ' ALA . 15.4 mt -70.98 -43.06 68.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.455 . . . . 72.4 110.853 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -61.63 -42.14 98.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 32.12 111.118 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -75.81 -45.54 35.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 64.32 111.106 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 654' ' ' HIS . . . . . . . . . . . . . 46.3 t60 -54.7 -47.83 73.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 72.34 110.863 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -67.1 -46.68 73.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 73.34 111.05 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -56.87 -49.51 75.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 70.44 110.87 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 657' ' ' TRP . . . . . . . . . . . . . 61.6 m95 -70.39 -38.16 74.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 72.32 110.939 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 2.9 m -53.81 -33.48 56.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.267 -0.424 . . . . 53.44 110.845 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 659' ' ' GLN . . . . . . . . . . . . . 43.0 mm-40 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 72.44 110.87 -179.96 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 581' ' ' SER . . . . . 0.699 ' O ' HG23 ' A' ' 585' ' ' VAL . 3.0 m . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.901 0.381 . . . . 63.12 110.835 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 582' ' ' VAL . . . . . . . . . . . . . 15.6 m -52.69 -40.88 36.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.086 -0.506 . . . . 61.41 111.179 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -69.95 -33.93 72.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 60.25 111.079 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 584' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -74.41 -38.18 63.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 53.13 110.868 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 585' ' ' VAL . . . . . 0.699 HG23 ' O ' ' A' ' 581' ' ' SER . 81.6 t -53.65 -33.17 22.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.114 -0.493 . . . . 75.32 111.178 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 586' ' ' GLU . . . . . 0.459 ' HA ' HD22 ' A' ' 646' ' ' LEU . 9.9 pt-20 -51.14 -31.43 19.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.108 -0.496 . . . . 74.21 110.875 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 587' ' ' ALA . . . . . . . . . . . . . . . -61.07 -43.41 98.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 74.0 111.099 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 588' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.5 -44.08 88.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 70.33 110.973 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 589' ' ' VAL . . . . . 0.528 HG21 ' HB3' ' A' ' 646' ' ' LEU . 60.7 t -66.75 -56.09 15.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 44.41 111.15 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -54.94 -33.07 61.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 74.44 110.91 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 591' ' ' ALA . . . . . 0.45 ' HB2' ' HG3' ' A' ' 606' ' ' ARG . . . -69.8 -46.61 65.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 74.42 111.026 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 592' ' ' VAL . . . . . 0.462 HG12 ' O ' ' A' ' 589' ' ' VAL . 13.0 p -74.58 -25.72 19.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 65.23 111.155 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 593' ' ' GLU . . . . . 0.438 ' HG2' ' HB2' ' A' ' 653' ' ' ALA . 2.1 mt-10 -72.89 -41.23 64.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.099 -0.501 . . . . 74.35 110.847 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -84.28 -46.49 11.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 71.43 110.871 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 595' ' ' LEU . . . . . 0.619 HD22 ' HB3' ' A' ' 602' ' ' ASP . 11.4 mt -79.56 -16.93 55.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 64.02 110.927 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 596' ' ' GLY . . . . . . . . . . . . . . . 88.7 174.12 46.98 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.771 -0.728 . . . . 71.04 112.531 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 3.8 p -90.85 29.5 1.34 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.834 0.35 . . . . 71.42 111.17 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 598' ' ' GLY . . . . . . . . . . . . . . . -133.75 2.78 4.52 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.731 -0.747 . . . . 54.41 112.482 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 599' ' ' ARG . . . . . 0.664 ' O ' HG23 ' A' ' 603' ' ' VAL . 56.3 mtt85 -122.18 74.5 1.16 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.804 0.335 . . . . 72.35 110.923 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 600' ' ' TRP . . . . . . . . . . . . . 26.9 m0 -62.33 -50.1 72.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 75.21 110.911 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 601' ' ' ARG . . . . . . . . . . . . . 33.4 mtt85 -52.71 -48.72 66.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 54.21 110.811 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 602' ' ' ASP . . . . . 0.619 ' HB3' HD22 ' A' ' 595' ' ' LEU . 1.8 m-20 -63.08 -35.98 82.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.266 -0.425 . . . . 63.11 110.888 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 603' ' ' VAL . . . . . 0.664 HG23 ' O ' ' A' ' 599' ' ' ARG . 50.1 t -64.31 -32.21 56.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 74.43 111.1 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 11.8 ttpt -69.1 -48.17 63.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 72.3 110.946 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 605' ' ' MET . . . . . . . . . . . . . 37.6 mtp -73.13 -31.12 64.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 74.51 110.901 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 606' ' ' ARG . . . . . 0.556 ' CB ' HD11 ' A' ' 595' ' ' LEU . 0.2 OUTLIER -76.27 -36.57 58.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 74.15 110.895 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -88.61 -67.86 0.81 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 73.31 111.077 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 608' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 75.13 110.821 -179.923 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 616' ' ' TYR . . . . . . . . . . . . . 15.3 p90 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.945 0.403 . . . . 73.04 110.935 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 617' ' ' VAL . . . . . . . . . . . . . 13.8 p -60.26 -33.11 52.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.092 -0.504 . . . . 71.22 111.119 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 618' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.13 -50.57 72.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 74.42 110.882 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 619' ' ' LEU . . . . . 0.654 HD13 ' CG1' ' A' ' 603' ' ' VAL . 0.6 OUTLIER -61.38 -25.27 67.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 72.22 110.903 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 620' ' ' LYS . . . . . . . . . . . . . 22.6 ttpt -74.65 -33.81 62.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 74.23 110.936 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -71.65 -36.02 70.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 73.42 110.869 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 5.2 mttm -71.1 -41.14 70.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.45 . . . . 64.41 110.89 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 623' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -70.53 -50.23 39.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 73.11 110.854 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 17.0 tttt -50.73 -54.91 19.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 64.33 110.879 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 13.7 t -61.98 -31.0 71.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 64.45 111.173 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 626' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.68 -53.73 54.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 75.44 110.892 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 627' ' ' VAL . . . . . 0.587 ' O ' HD13 ' A' ' 632' ' ' ILE . 77.6 t -58.49 -54.95 26.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 65.31 111.159 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 628' ' ' HIS . . . . . 0.542 ' HA ' HD13 ' A' ' 632' ' ' ILE . 49.9 m170 -53.01 -29.54 30.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 71.21 110.89 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 629' ' ' THR . . . . . . . . . . . . . 23.7 m -74.35 -29.63 61.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 62.35 111.185 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 630' ' ' ALA . . . . . 0.668 ' HA ' HD13 ' A' ' 647' ' ' LEU . . . -54.16 -49.88 68.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 74.41 111.144 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 631' ' ' SER . . . . . 0.697 ' C ' HD12 ' A' ' 632' ' ' ILE . 11.8 t 173.26 68.52 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 65.13 110.852 -179.791 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 632' ' ' ILE . . . . . 0.697 HD12 ' C ' ' A' ' 631' ' ' SER . 2.8 mp -130.28 -76.43 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.106 -0.497 . . . . 52.13 111.11 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 633' ' ' ALA . . . . . 0.456 ' N ' HG22 ' A' ' 632' ' ' ILE . . . . . . . . 0 C--N 1.328 -0.329 0 CA-C-O 121.613 0.721 . . . . 74.04 111.151 179.785 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 N--CA 1.465 -0.193 0 CA-C-O 120.766 0.236 . . . . 61.34 112.333 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 642' ' ' VAL . . . . . 0.504 HG23 ' HD2' ' A' ' 643' ' ' PRO . 3.9 p -105.32 134.44 19.67 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.659 0.742 . . . . 62.15 111.151 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 643' ' ' PRO . . . . . 0.504 ' HD2' HG23 ' A' ' 642' ' ' VAL . 53.5 Cg_endo -69.76 128.62 16.3 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.742 2.295 . . . . 74.14 112.309 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -68.04 -25.62 65.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 55.12 110.912 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -62.93 -41.33 99.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 73.55 110.915 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 646' ' ' LEU . . . . . 0.528 ' HB3' HG21 ' A' ' 589' ' ' VAL . 58.2 mt -74.91 -34.81 62.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.494 . . . . 73.04 110.917 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 647' ' ' LEU . . . . . 0.668 HD13 ' HA ' ' A' ' 630' ' ' ALA . 53.5 mt -71.73 -40.67 69.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 71.5 110.9 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.44 -30.23 64.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 63.44 110.827 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -74.47 -49.03 23.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 72.52 110.896 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 650' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -59.33 -33.61 51.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 71.32 111.12 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 651' ' ' LEU . . . . . 0.404 ' HA ' HD12 ' A' ' 651' ' ' LEU . 0.9 OUTLIER -71.53 -41.99 68.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 72.43 110.892 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -54.55 -48.17 72.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 71.41 111.101 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 653' ' ' ALA . . . . . 0.438 ' HB2' ' HG2' ' A' ' 593' ' ' GLU . . . -75.06 -46.32 35.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 61.24 111.091 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 654' ' ' HIS . . . . . . . . . . . . . 52.2 t-80 -54.04 -41.51 68.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 64.15 110.861 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -76.04 -46.87 27.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 14.2 111.125 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 65.4 t80 -55.59 -49.43 72.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 73.35 110.918 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 657' ' ' TRP . . . . . . . . . . . . . 64.1 m95 -70.26 -36.7 74.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.152 -0.477 . . . . 55.33 110.916 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 16.4 t -54.09 -34.79 61.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.435 . . . . 71.01 110.889 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 659' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.495 . . . . 64.03 110.931 -179.974 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 581' ' ' SER . . . . . 0.416 ' O ' HG23 ' A' ' 585' ' ' VAL . 18.0 m . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.9 0.381 . . . . 41.14 110.857 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 582' ' ' VAL . . . . . . . . . . . . . 99.0 t -51.67 -37.65 20.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 61.34 111.102 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -69.61 -48.14 61.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 63.35 111.086 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 584' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -63.55 -54.77 30.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 74.22 110.852 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 585' ' ' VAL . . . . . 0.807 HG12 HD13 ' A' ' 646' ' ' LEU . 60.7 t -54.05 -33.84 25.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 75.02 111.086 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 586' ' ' GLU . . . . . 0.553 ' HG3' HD11 ' A' ' 646' ' ' LEU . 19.6 mt-10 -63.03 -52.12 64.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 70.33 110.93 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 587' ' ' ALA . . . . . 0.65 ' HB1' ' HA ' ' A' ' 607' ' ' ALA . . . -64.12 -31.42 72.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 54.54 111.083 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 588' ' ' LEU . . . . . 0.455 HD13 ' C ' ' A' ' 588' ' ' LEU . 2.4 tm? -66.41 -54.47 23.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 71.34 110.877 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 589' ' ' VAL . . . . . 0.599 HG21 ' HB3' ' A' ' 646' ' ' LEU . 47.9 t -60.75 -54.45 35.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 60.42 111.119 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -51.79 -37.1 50.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.153 -0.476 . . . . 75.42 110.927 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 591' ' ' ALA . . . . . 0.508 ' HB2' ' HG3' ' A' ' 606' ' ' ARG . . . -72.66 -40.22 66.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.067 -0.515 . . . . 44.43 111.082 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 592' ' ' VAL . . . . . . . . . . . . . 37.4 t -73.84 -26.07 21.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 75.14 111.176 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.02 -39.47 63.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 73.31 110.863 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 31.3 m170 -85.79 -47.26 9.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 71.32 110.891 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 595' ' ' LEU . . . . . 0.505 HD22 ' CB ' ' A' ' 602' ' ' ASP . 14.5 mt -79.56 -23.45 42.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 70.51 110.895 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 596' ' ' GLY . . . . . . . . . . . . . . . 84.22 -174.84 51.05 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.707 -0.758 . . . . 72.11 112.448 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 36.1 p -94.83 28.28 2.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.838 0.351 . . . . 60.32 111.133 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 598' ' ' GLY . . . . . . . . . . . . . . . -121.72 -24.83 2.25 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.737 -0.744 . . . . 44.2 112.558 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 599' ' ' ARG . . . . . 0.471 ' O ' HG23 ' A' ' 603' ' ' VAL . 43.0 mtt85 -105.68 71.74 0.93 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.855 0.359 . . . . 74.13 110.873 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 600' ' ' TRP . . . . . . . . . . . . . 5.1 m0 -59.8 -49.77 76.43 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.15 -0.477 . . . . 75.43 110.904 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 601' ' ' ARG . . . . . . . . . . . . . 73.8 mtm180 -52.42 -45.63 66.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 71.23 110.892 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 602' ' ' ASP . . . . . 0.505 ' CB ' HD22 ' A' ' 595' ' ' LEU . 17.7 m-20 -63.43 -35.15 79.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 64.12 110.829 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 603' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 599' ' ' ARG . 55.5 t -64.73 -31.81 55.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 52.55 111.14 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 27.2 ttpt -69.52 -49.3 55.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.489 . . . . 75.44 110.857 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 605' ' ' MET . . . . . . . . . . . . . 6.8 ptm -72.91 -31.47 64.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.296 -0.411 . . . . 74.3 110.922 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 606' ' ' ARG . . . . . 0.508 ' HG3' ' HB2' ' A' ' 591' ' ' ALA . 19.0 tpp180 -75.09 -40.5 60.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 72.23 110.952 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 607' ' ' ALA . . . . . 0.65 ' HA ' ' HB1' ' A' ' 587' ' ' ALA . . . -84.88 -68.8 0.7 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.108 -0.496 . . . . 44.11 111.142 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 608' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 73.01 110.92 -179.95 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 616' ' ' TYR . . . . . . . . . . . . . 7.4 p90 . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.951 0.405 . . . . 73.24 110.996 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 617' ' ' VAL . . . . . 0.438 HG22 ' OD2' ' A' ' 621' ' ' ASP . 12.3 p -72.41 -32.67 42.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.081 -0.509 . . . . 75.14 111.117 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 618' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.67 -50.59 23.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 52.43 110.843 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 619' ' ' LEU . . . . . 0.423 ' C ' HD12 ' A' ' 619' ' ' LEU . 2.5 pp -63.14 -39.58 95.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 73.35 110.894 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 620' ' ' LYS . . . . . . . . . . . . . 11.6 ptmm? -72.13 -32.59 67.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 75.23 110.884 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 621' ' ' ASP . . . . . 0.438 ' OD2' HG22 ' A' ' 617' ' ' VAL . 16.1 m-20 -71.65 -35.27 70.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.431 . . . . 74.15 110.829 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 17.4 ttmt -69.65 -38.67 77.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.274 -0.421 . . . . 63.12 110.902 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 623' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -63.97 -51.64 63.39 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.21 -0.45 . . . . 75.52 110.874 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.12 -55.42 20.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 45.44 110.869 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 11.5 t -61.68 -30.26 70.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 72.34 111.063 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 626' ' ' LEU . . . . . 0.722 HD11 HG13 ' A' ' 585' ' ' VAL . 0.3 OUTLIER -60.14 -53.85 52.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.249 -0.432 . . . . 75.51 110.95 179.935 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 627' ' ' VAL . . . . . 0.637 ' O ' HD13 ' A' ' 632' ' ' ILE . 79.4 t -56.82 -51.85 62.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 72.13 111.077 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 628' ' ' HIS . . . . . 0.432 ' HA ' ' HB ' ' A' ' 632' ' ' ILE . 12.8 m-70 -53.76 -28.19 33.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 71.44 110.836 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 629' ' ' THR . . . . . . . . . . . . . 21.3 m -79.28 -29.59 42.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 70.32 111.136 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 630' ' ' ALA . . . . . 0.672 ' HA ' HD13 ' A' ' 647' ' ' LEU . . . -55.24 -49.41 72.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 71.43 111.063 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 631' ' ' SER . . . . . 0.682 ' C ' HD12 ' A' ' 632' ' ' ILE . 10.8 t 173.32 70.64 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 61.31 110.903 -179.768 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 632' ' ' ILE . . . . . 0.682 HD12 ' C ' ' A' ' 631' ' ' SER . 1.8 mp -124.96 -65.46 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.135 -0.484 . . . . 62.41 111.162 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 633' ' ' ALA . . . . . 0.449 ' N ' HG22 ' A' ' 632' ' ' ILE . . . . . . . . 0 C--N 1.328 -0.339 0 CA-C-O 121.556 0.694 . . . . 74.01 111.109 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo . . . . . 0 C--O 1.231 0.142 0 CA-C-O 120.849 0.27 . . . . 73.12 112.353 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 642' ' ' VAL . . . . . 0.51 HG21 HD11 ' A' ' 647' ' ' LEU . 1.7 p -134.35 130.93 20.31 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.654 0.74 . . . . 62.12 111.121 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 643' ' ' PRO . . . . . 0.451 ' HG2' HD12 ' A' ' 646' ' ' LEU . 54.3 Cg_endo -69.78 128.54 16.16 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.693 2.262 . . . . 73.42 112.358 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -70.52 -21.71 62.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 74.2 110.866 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -68.18 -38.11 81.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 70.2 110.846 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 646' ' ' LEU . . . . . 0.807 HD13 HG12 ' A' ' 585' ' ' VAL . 50.2 mt -75.41 -42.05 54.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 73.22 110.976 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 647' ' ' LEU . . . . . 0.672 HD13 ' HA ' ' A' ' 630' ' ' ALA . 53.5 mt -65.3 -40.89 94.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 73.15 110.928 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -72.44 -33.02 66.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 73.41 110.882 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 5.8 mtp85 -74.52 -48.81 24.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 72.1 110.81 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 650' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -58.08 -33.66 47.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 74.3 111.151 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 651' ' ' LEU . . . . . 0.496 ' CD1' HG13 ' A' ' 627' ' ' VAL . 0.8 OUTLIER -71.5 -42.77 67.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 74.23 110.889 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -54.6 -51.25 65.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.429 . . . . 54.42 111.169 179.759 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -71.84 -41.27 68.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 73.02 111.097 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 654' ' ' HIS . . . . . . . . . . . . . 31.1 t-80 -53.24 -44.99 68.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 75.54 110.876 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -67.28 -47.33 70.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 73.44 111.098 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 73.9 t80 -55.15 -49.99 70.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 73.2 110.906 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 657' ' ' TRP . . . . . . . . . . . . . 55.4 m95 -71.12 -36.68 72.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 72.32 110.937 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 7.6 t -53.67 -32.12 50.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 60.24 110.855 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 659' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 75.34 110.973 179.996 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 16.8 m . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.92 0.391 . . . . 73.13 110.875 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 582' ' ' VAL . . . . . 0.623 HG13 ' HG3' ' A' ' 643' ' ' PRO . 85.1 t -54.43 -36.84 35.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.149 -0.478 . . . . 54.55 111.135 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -68.72 -36.82 78.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 52.52 111.09 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 584' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -75.29 -41.24 57.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 72.44 110.9 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 585' ' ' VAL . . . . . . . . . . . . . 92.3 t -66.28 -37.09 78.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.107 -0.497 . . . . 71.14 111.12 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -51.49 -30.71 20.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.456 . . . . 74.13 110.878 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 587' ' ' ALA . . . . . . . . . . . . . . . -64.78 -46.12 83.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 72.3 111.062 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 588' ' ' LEU . . . . . 0.414 HD21 ' HB2' ' A' ' 619' ' ' LEU . 0.1 OUTLIER -59.06 -55.33 36.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.456 . . . . 73.52 110.977 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 589' ' ' VAL . . . . . 0.727 HG11 HD22 ' A' ' 646' ' ' LEU . 3.6 p -60.02 -50.55 79.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 73.24 111.092 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 590' ' ' GLU . . . . . 0.516 ' N ' HG13 ' A' ' 589' ' ' VAL . 19.0 mm-40 -60.08 -29.69 68.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 74.11 110.903 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 591' ' ' ALA . . . . . 0.46 ' CB ' HG13 ' A' ' 603' ' ' VAL . . . -74.8 -43.86 52.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 64.35 111.045 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 592' ' ' VAL . . . . . . . . . . . . . 12.8 p -75.52 -25.81 17.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 64.34 111.152 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 593' ' ' GLU . . . . . 0.42 ' HG2' ' HB2' ' A' ' 653' ' ' ALA . 2.2 mt-10 -73.71 -36.61 65.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 72.13 110.911 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 46.7 m170 -84.15 -47.26 11.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.469 . . . . 72.25 110.91 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 595' ' ' LEU . . . . . 0.402 HD13 ' HA ' ' A' ' 595' ' ' LEU . 4.1 mm? -80.29 -23.43 40.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 73.32 110.948 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 596' ' ' GLY . . . . . . . . . . . . . . . 94.16 175.07 39.22 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.746 -0.74 . . . . 71.11 112.476 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 597' ' ' THR . . . . . 0.475 HG21 ' CD2' ' A' ' 654' ' ' HIS . 0.4 OUTLIER -88.91 17.22 5.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.797 0.332 . . . . 43.43 111.13 -179.895 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 598' ' ' GLY . . . . . . . . . . . . . . . -125.24 15.22 7.3 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.802 -0.713 . . . . 73.13 112.504 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 599' ' ' ARG . . . . . 0.645 ' O ' HG23 ' A' ' 603' ' ' VAL . 40.4 mtt85 -140.75 79.26 1.69 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.843 0.354 . . . . 73.55 110.898 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 600' ' ' TRP . . . . . . . . . . . . . 10.9 m0 -69.32 -46.08 67.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 74.43 110.99 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 601' ' ' ARG . . . . . . . . . . . . . 46.7 ttm-85 -53.06 -48.97 67.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 73.45 110.884 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 602' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -64.41 -38.65 91.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.214 -0.448 . . . . 74.25 110.88 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 603' ' ' VAL . . . . . 0.645 HG23 ' O ' ' A' ' 599' ' ' ARG . 25.1 t -57.5 -36.74 54.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.177 -0.465 . . . . 54.23 111.131 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 3.7 ttpm? -72.19 -39.29 68.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 64.0 110.883 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 605' ' ' MET . . . . . . . . . . . . . 45.8 mmm -69.9 -31.57 69.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 73.03 110.919 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 606' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.39 -40.57 17.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 64.04 110.893 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -80.79 -69.36 0.61 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 75.15 111.111 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 608' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 71.12 110.869 -179.909 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 616' ' ' TYR . . . . . . . . . . . . . 35.9 p90 . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.931 0.396 . . . . 74.4 110.896 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 617' ' ' VAL . . . . . . . . . . . . . 7.9 p -70.85 -36.43 64.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 62.23 111.176 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 618' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.69 -50.82 72.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.086 -0.506 . . . . 72.1 110.856 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 619' ' ' LEU . . . . . 0.414 ' HB2' HD21 ' A' ' 588' ' ' LEU . 0.8 OUTLIER -73.07 -19.86 61.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.271 -0.422 . . . . 54.25 110.882 -179.88 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 620' ' ' LYS . . . . . . . . . . . . . 4.6 tmmm? -68.02 -50.08 57.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 71.32 110.867 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 -71.89 -32.85 67.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 75.41 110.845 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 1.1 tppp? -65.73 -40.39 92.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 53.21 110.948 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 623' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -72.44 -44.48 62.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 75.12 110.948 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -51.05 -45.87 61.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.267 -0.424 . . . . 72.44 110.912 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 8.8 t -74.74 -37.48 62.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 42.11 111.142 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 626' ' ' LEU . . . . . 0.712 HD22 HG21 ' A' ' 650' ' ' VAL . 0.5 OUTLIER -54.96 -54.86 37.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.267 -0.424 . . . . 73.43 110.85 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 627' ' ' VAL . . . . . 0.634 ' O ' HD13 ' A' ' 632' ' ' ILE . 91.2 t -61.92 -54.68 31.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 72.04 111.089 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 628' ' ' HIS . . . . . 0.455 ' HA ' ' HB ' ' A' ' 632' ' ' ILE . 11.6 m170 -53.75 -26.53 23.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 73.45 110.884 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 629' ' ' THR . . . . . . . . . . . . . 36.3 m -78.36 -30.05 47.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 60.12 111.141 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 630' ' ' ALA . . . . . 0.597 ' HA ' HD13 ' A' ' 647' ' ' LEU . . . -52.81 -49.7 65.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 73.31 111.059 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 631' ' ' SER . . . . . 0.685 ' C ' HD12 ' A' ' 632' ' ' ILE . 0.4 OUTLIER 169.41 67.53 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 64.42 110.845 -179.77 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 632' ' ' ILE . . . . . 0.685 HD12 ' C ' ' A' ' 631' ' ' SER . 2.6 mp -128.19 -75.44 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.087 -0.506 . . . . 72.31 111.099 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 633' ' ' ALA . . . . . 0.453 ' N ' HG22 ' A' ' 632' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 121.594 0.711 . . . . 63.51 111.117 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--O 1.232 0.183 0 CA-C-O 120.834 0.264 . . . . 73.3 112.354 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 642' ' ' VAL . . . . . 0.804 HG21 HD11 ' A' ' 647' ' ' LEU . 5.8 m -106.5 139.44 20.34 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.674 0.75 . . . . 73.34 111.067 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 643' ' ' PRO . . . . . 0.623 ' HG3' HG13 ' A' ' 582' ' ' VAL . 53.7 Cg_endo -69.68 128.98 16.88 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.697 2.264 . . . . 70.53 112.378 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -65.63 -17.78 64.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 74.42 110.951 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -67.53 -42.98 81.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 71.41 110.83 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 646' ' ' LEU . . . . . 0.727 HD22 HG11 ' A' ' 589' ' ' VAL . 65.1 mt -71.98 -53.45 12.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.141 -0.481 . . . . 73.45 110.922 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 647' ' ' LEU . . . . . 0.804 HD11 HG21 ' A' ' 642' ' ' VAL . 45.9 mt -51.73 -51.78 53.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 74.11 110.931 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -56.9 -41.17 77.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 73.43 110.804 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 1.4 mmm180 -65.71 -40.48 92.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 64.01 110.858 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 650' ' ' VAL . . . . . 0.712 HG21 HD22 ' A' ' 626' ' ' LEU . 92.7 t -61.53 -55.11 26.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 62.31 111.09 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 651' ' ' LEU . . . . . 0.451 ' CD1' ' HB1' ' A' ' 630' ' ' ALA . 24.5 mt -63.2 -25.52 68.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 63.33 110.951 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -64.51 -51.37 63.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 53.41 111.152 179.736 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 653' ' ' ALA . . . . . 0.42 ' HB2' ' HG2' ' A' ' 593' ' ' GLU . . . -75.82 -49.48 17.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 63.12 111.134 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 654' ' ' HIS . . . . . 0.475 ' CD2' HG21 ' A' ' 597' ' ' THR . 19.7 m80 -53.26 -31.14 42.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.279 -0.419 . . . . 75.14 110.869 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -77.15 -46.9 21.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 32.33 111.075 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 77.2 t80 -63.27 -47.11 83.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 75.43 110.9 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 657' ' ' TRP . . . . . . . . . . . . . 33.1 m95 -65.41 -39.07 91.71 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.15 -0.477 . . . . 74.43 110.841 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 3.6 m -61.13 -33.07 72.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.285 -0.416 . . . . 72.22 110.938 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 659' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 75.54 110.911 -179.946 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 47.1 m . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.943 0.402 . . . . 73.03 110.857 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 582' ' ' VAL . . . . . . . . . . . . . 27.7 m -54.46 -32.15 24.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.087 -0.506 . . . . 64.23 111.125 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -64.78 -46.92 80.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 73.32 111.101 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 584' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -73.57 -44.19 57.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 61.32 110.89 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 585' ' ' VAL . . . . . 0.712 HG13 HD11 ' A' ' 626' ' ' LEU . 93.5 t -62.43 -35.4 69.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 73.32 111.139 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -58.07 -34.2 69.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.483 . . . . 73.12 110.844 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 587' ' ' ALA . . . . . . . . . . . . . . . -70.68 -45.42 65.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 42.14 111.1 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 588' ' ' LEU . . . . . 0.44 HD13 ' C ' ' A' ' 588' ' ' LEU . 2.3 tm? -55.84 -55.13 36.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 71.21 110.972 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 589' ' ' VAL . . . . . 0.657 HG22 HD13 ' A' ' 626' ' ' LEU . 36.9 t -61.49 -54.31 36.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 75.42 111.144 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -50.91 -44.22 60.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 74.45 110.874 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 591' ' ' ALA . . . . . 0.563 ' CB ' HG13 ' A' ' 603' ' ' VAL . . . -66.36 -39.94 89.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 61.24 111.105 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 592' ' ' VAL . . . . . . . . . . . . . 17.9 t -69.52 -26.47 31.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 64.33 111.094 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 593' ' ' GLU . . . . . 0.499 ' HG2' ' HB2' ' A' ' 653' ' ' ALA . 1.2 mt-10 -74.42 -36.81 63.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 73.01 110.886 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 -85.86 -48.61 8.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 60.42 110.839 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 595' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -79.93 -24.0 41.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 62.14 110.869 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 596' ' ' GLY . . . . . . . . . . . . . . . 88.2 -166.47 35.12 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.744 -0.741 . . . . 75.14 112.482 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 69.9 p -102.08 21.84 14.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.792 0.329 . . . . 75.53 111.095 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 598' ' ' GLY . . . . . . . . . . . . . . . -125.9 -8.99 4.94 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.765 -0.731 . . . . 34.14 112.523 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 599' ' ' ARG . . . . . 0.653 ' O ' HG23 ' A' ' 603' ' ' VAL . 56.8 mtt85 -116.49 76.86 1.05 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.824 0.345 . . . . 62.44 110.815 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 600' ' ' TRP . . . . . 0.787 ' HB3' HD11 ' A' ' 619' ' ' LEU . 7.5 m0 -68.73 -49.91 54.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 74.1 110.909 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 601' ' ' ARG . . . . . . . . . . . . . 74.5 mtm-85 -54.46 -46.43 73.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.278 -0.419 . . . . 62.2 110.882 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 602' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -63.33 -30.58 71.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 73.5 110.889 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 603' ' ' VAL . . . . . 0.653 HG23 ' O ' ' A' ' 599' ' ' ARG . 38.8 t -71.32 -34.69 54.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 73.32 111.112 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 33.2 tptt -71.09 -44.13 66.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 73.2 110.942 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 605' ' ' MET . . . . . . . . . . . . . 28.2 ptm -72.86 -31.72 64.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 74.4 110.893 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 606' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.95 -42.61 26.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.445 . . . . 74.42 110.873 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -77.11 -68.41 0.61 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 75.41 111.119 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 608' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 71.33 110.866 -179.878 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 616' ' ' TYR . . . . . 0.532 ' HA ' HD21 ' A' ' 619' ' ' LEU . 26.1 p90 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.951 0.405 . . . . 74.55 110.958 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 617' ' ' VAL . . . . . . . . . . . . . 9.5 p -72.02 -32.35 43.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 73.21 111.124 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 618' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.51 -51.54 34.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 71.22 110.89 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 619' ' ' LEU . . . . . 0.787 HD11 ' HB3' ' A' ' 600' ' ' TRP . 1.2 pp -65.25 -52.35 54.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 74.4 110.927 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 620' ' ' LYS . . . . . 0.503 ' N ' HD12 ' A' ' 619' ' ' LEU . 17.4 pttt -56.16 -33.11 64.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 73.11 110.893 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -64.96 -44.82 88.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 50.01 110.873 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 5.8 mptt -67.72 -28.25 67.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 75.15 110.871 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 623' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -73.33 -53.61 10.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.292 -0.413 . . . . 73.43 110.88 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -51.66 -42.73 62.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 73.52 110.918 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 12.6 t -72.45 -29.3 63.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.247 -0.433 . . . . 73.43 111.119 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 626' ' ' LEU . . . . . 0.712 HD11 HG13 ' A' ' 585' ' ' VAL . 0.6 OUTLIER -68.45 -55.53 11.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.218 -0.446 . . . . 75.44 110.882 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 627' ' ' VAL . . . . . 0.693 HG21 ' CG ' ' A' ' 654' ' ' HIS . 4.2 p -56.6 -45.0 82.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 75.42 111.096 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 628' ' ' HIS . . . . . 0.461 ' HA ' HD13 ' A' ' 632' ' ' ILE . 14.6 m170 -58.01 -38.04 75.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 64.32 110.817 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 629' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -69.25 -28.7 66.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 70.24 111.14 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 630' ' ' ALA . . . . . 0.773 ' HA ' HD13 ' A' ' 647' ' ' LEU . . . -53.7 -47.9 70.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 75.22 111.135 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 631' ' ' SER . . . . . 0.743 ' C ' HD12 ' A' ' 632' ' ' ILE . 0.5 OUTLIER 173.88 68.01 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.269 -0.423 . . . . 72.21 110.853 -179.763 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 632' ' ' ILE . . . . . 0.743 HD12 ' C ' ' A' ' 631' ' ' SER . 2.5 mp -134.11 -72.86 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 74.31 111.15 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 633' ' ' ALA . . . . . 0.445 ' N ' HG22 ' A' ' 632' ' ' ILE . . . . . . . . 0 C--N 1.33 -0.269 0 CA-C-O 121.695 0.76 . . . . 74.21 111.08 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 N--CA 1.466 -0.124 0 CA-C-O 120.8 0.25 . . . . 74.4 112.324 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 642' ' ' VAL . . . . . 0.67 ' CG2' HD11 ' A' ' 647' ' ' LEU . 17.0 m -101.0 140.15 21.07 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.568 0.699 . . . . 74.12 111.163 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 133.8 26.55 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.725 2.283 . . . . 62.25 112.328 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -62.08 -20.32 63.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 73.1 110.933 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -63.37 -41.53 98.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 72.43 110.922 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 646' ' ' LEU . . . . . 0.672 HD13 HG12 ' A' ' 585' ' ' VAL . 83.7 mt -75.56 -41.88 53.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 74.0 110.903 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 647' ' ' LEU . . . . . 0.773 HD13 ' HA ' ' A' ' 630' ' ' ALA . 54.9 mt -66.82 -33.38 75.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 61.35 110.88 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -72.54 -42.01 65.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.221 -0.445 . . . . 54.21 110.81 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 53.1 mtt180 -73.97 -48.14 32.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 70.21 110.921 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 650' ' ' VAL . . . . . 0.422 HG12 ' HA ' ' A' ' 647' ' ' LEU . 5.5 p -56.72 -34.78 43.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 75.41 111.135 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 651' ' ' LEU . . . . . 0.555 HD23 HG23 ' A' ' 627' ' ' VAL . 19.8 mt -71.53 -42.49 67.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 74.45 110.946 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -60.06 -49.47 77.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 43.11 111.152 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 653' ' ' ALA . . . . . 0.499 ' HB2' ' HG2' ' A' ' 593' ' ' GLU . . . -68.25 -48.27 65.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 74.32 111.128 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 654' ' ' HIS . . . . . 0.693 ' CG ' HG21 ' A' ' 627' ' ' VAL . 53.2 t60 -56.56 -43.52 80.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.248 -0.433 . . . . 73.32 110.828 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -74.2 -46.8 39.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 73.12 111.091 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 67.7 t80 -56.86 -49.49 75.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 75.11 110.901 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 657' ' ' TRP . . . . . . . . . . . . . 65.9 m95 -70.49 -31.13 68.12 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.154 -0.476 . . . . 74.23 110.85 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 2.2 t -59.33 -35.79 74.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.303 -0.408 . . . . 73.42 110.86 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 659' ' ' GLN . . . . . . . . . . . . . 20.1 tt0 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.489 . . . . 74.24 110.9 179.994 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 581' ' ' SER . . . . . 0.544 ' O ' HG23 ' A' ' 585' ' ' VAL . 1.3 m . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.906 0.384 . . . . 71.51 110.858 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 582' ' ' VAL . . . . . 0.532 HG12 ' HD3' ' A' ' 643' ' ' PRO . 32.0 m -55.19 -32.44 28.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.479 . . . . 71.31 111.169 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -69.3 -41.43 76.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 74.51 111.134 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 584' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -74.99 -41.25 59.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 64.25 110.84 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 585' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 581' ' ' SER . 97.9 t -61.29 -35.64 67.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.127 -0.488 . . . . 71.13 111.123 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -51.42 -30.64 19.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 74.14 110.886 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 587' ' ' ALA . . . . . 0.592 ' HB1' ' HA ' ' A' ' 607' ' ' ALA . . . -67.4 -47.36 70.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 74.02 111.103 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 588' ' ' LEU . . . . . 0.532 HD13 ' O ' ' A' ' 588' ' ' LEU . 0.5 OUTLIER -56.35 -47.14 79.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.216 -0.447 . . . . 34.02 110.956 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 589' ' ' VAL . . . . . 0.641 HG22 HD13 ' A' ' 626' ' ' LEU . 21.7 t -67.84 -56.77 11.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 55.14 111.099 179.802 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -55.0 -27.55 45.07 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.169 -0.469 . . . . 74.05 110.92 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 591' ' ' ALA . . . . . 0.41 ' HB2' ' HG3' ' A' ' 606' ' ' ARG . . . -75.69 -46.4 31.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 75.01 111.096 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 592' ' ' VAL . . . . . 0.441 HG23 ' HA ' ' A' ' 597' ' ' THR . 14.9 p -74.72 -25.63 19.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 75.25 111.101 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 593' ' ' GLU . . . . . 0.425 ' OE1' ' HB2' ' A' ' 653' ' ' ALA . 0.7 OUTLIER -72.96 -42.43 63.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 64.44 110.831 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -84.58 -47.2 10.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 74.33 110.803 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 595' ' ' LEU . . . . . 0.7 HD22 ' HB3' ' A' ' 602' ' ' ASP . 8.5 mt -79.88 -13.81 59.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 74.41 110.881 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 596' ' ' GLY . . . . . . . . . . . . . . . 85.41 173.46 49.67 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.736 -0.745 . . . . 70.31 112.509 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 597' ' ' THR . . . . . 0.441 ' HA ' HG23 ' A' ' 592' ' ' VAL . 0.2 OUTLIER -88.12 11.71 15.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.821 0.343 . . . . 70.14 111.153 -179.888 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 598' ' ' GLY . . . . . . . . . . . . . . . -120.08 14.33 10.35 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.721 -0.752 . . . . 74.23 112.491 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 599' ' ' ARG . . . . . 0.651 ' O ' HG23 ' A' ' 603' ' ' VAL . 56.2 mtt85 -127.88 69.63 1.33 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.853 0.358 . . . . 64.23 110.827 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 600' ' ' TRP . . . . . 0.508 ' HB3' HD21 ' A' ' 619' ' ' LEU . 12.8 m0 -59.89 -50.34 74.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 71.53 110.875 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 601' ' ' ARG . . . . . . . . . . . . . 30.1 mtm180 -52.46 -47.87 66.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.426 . . . . 65.44 110.85 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 602' ' ' ASP . . . . . 0.7 ' HB3' HD22 ' A' ' 595' ' ' LEU . 1.7 m-20 -65.31 -37.11 86.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 73.11 110.892 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 603' ' ' VAL . . . . . 0.686 HG11 HD13 ' A' ' 619' ' ' LEU . 53.8 t -65.15 -31.96 56.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 63.14 111.179 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 604' ' ' LYS . . . . . 0.5 ' HG3' HD23 ' A' ' 619' ' ' LEU . 5.9 mtmt -68.4 -49.51 59.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 71.43 110.856 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 605' ' ' MET . . . . . . . . . . . . . 22.7 mmm -73.5 -31.52 63.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 64.24 110.898 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 606' ' ' ARG . . . . . 0.659 ' CB ' HD11 ' A' ' 595' ' ' LEU . 18.9 tpp180 -73.07 -40.96 64.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 53.4 110.853 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 607' ' ' ALA . . . . . 0.592 ' HA ' ' HB1' ' A' ' 587' ' ' ALA . . . -90.74 -70.13 0.69 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 54.54 111.061 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 608' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 74.24 110.892 -179.94 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 616' ' ' TYR . . . . . . . . . . . . . 11.6 p90 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.973 0.416 . . . . 72.53 110.961 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 617' ' ' VAL . . . . . . . . . . . . . 14.3 p -71.25 -33.15 49.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.108 -0.496 . . . . 54.23 111.174 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 618' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -52.01 -50.74 60.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.457 . . . . 72.11 110.817 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 619' ' ' LEU . . . . . 0.686 HD13 HG11 ' A' ' 603' ' ' VAL . 1.2 pp -71.0 -31.16 67.61 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.168 -0.469 . . . . 73.42 110.927 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 620' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.65 -37.62 88.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 74.05 110.882 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -71.75 -45.77 60.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 63.54 110.899 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 43.1 tttt -55.0 -42.62 72.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 65.44 110.897 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 623' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -73.32 -44.2 59.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.295 -0.411 . . . . 73.4 110.904 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.51 -45.22 81.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.291 -0.413 . . . . 75.11 110.942 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 14.5 t -72.31 -28.99 63.43 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.191 -0.459 . . . . 75.43 111.182 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 626' ' ' LEU . . . . . 0.641 HD13 HG22 ' A' ' 589' ' ' VAL . 0.4 OUTLIER -64.13 -55.5 21.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 72.4 110.92 179.901 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 627' ' ' VAL . . . . . 0.824 HG23 HD12 ' A' ' 651' ' ' LEU . 4.2 p -59.67 -45.07 94.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 74.23 111.153 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 628' ' ' HIS . . . . . 0.429 ' N ' HG13 ' A' ' 627' ' ' VAL . 0.3 OUTLIER -61.33 -26.58 67.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 74.01 110.872 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 629' ' ' THR . . . . . . . . . . . . . 3.0 m -78.5 -29.3 46.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 70.52 111.132 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 630' ' ' ALA . . . . . 0.751 ' HA ' HD13 ' A' ' 647' ' ' LEU . . . -53.95 -49.59 68.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 54.54 111.038 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 631' ' ' SER . . . . . 0.748 ' C ' HD12 ' A' ' 632' ' ' ILE . 10.8 t 172.58 69.67 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 71.12 110.889 -179.806 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 632' ' ' ILE . . . . . 0.748 HD12 ' C ' ' A' ' 631' ' ' SER . 2.0 mp -129.77 -73.28 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 64.45 111.11 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 633' ' ' ALA . . . . . 0.513 ' N ' HG22 ' A' ' 632' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.325 0 CA-C-O 121.538 0.685 . . . . 74.32 111.093 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--O 1.231 0.15 0 CA-C-O 120.855 0.273 . . . . 55.12 112.339 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 642' ' ' VAL . . . . . 0.639 HG21 HD11 ' A' ' 647' ' ' LEU . 2.1 p -126.84 131.2 23.78 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.545 0.688 . . . . 75.34 111.114 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 643' ' ' PRO . . . . . 0.532 ' HD3' HG12 ' A' ' 582' ' ' VAL . 53.8 Cg_endo -69.79 128.71 16.39 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.649 2.233 . . . . 75.4 112.34 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -71.0 -19.51 62.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 42.4 110.87 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -70.12 -38.54 75.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 72.45 110.816 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 646' ' ' LEU . . . . . 0.468 HD13 HG12 ' A' ' 585' ' ' VAL . 44.5 mt -75.48 -43.44 49.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 62.31 110.889 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 647' ' ' LEU . . . . . 0.751 HD13 ' HA ' ' A' ' 630' ' ' ALA . 63.4 mt -65.28 -41.49 94.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 74.23 110.907 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -71.86 -35.18 69.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.22 -0.445 . . . . 71.44 110.846 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 12.5 mmt85 -72.9 -48.8 34.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 74.53 110.896 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 650' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -56.98 -33.41 42.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 65.54 111.136 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 651' ' ' LEU . . . . . 0.824 HD12 HG23 ' A' ' 627' ' ' VAL . 3.6 mp -72.2 -40.69 67.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 73.14 110.877 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -54.45 -51.59 64.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 73.54 111.057 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 653' ' ' ALA . . . . . 0.425 ' HB2' ' OE1' ' A' ' 593' ' ' GLU . . . -72.18 -47.09 53.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.275 -0.42 . . . . 44.42 111.082 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 654' ' ' HIS . . . . . . . . . . . . . 63.6 t60 -53.82 -43.36 69.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 64.24 110.803 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -77.39 -47.08 20.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 45.54 111.096 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 71.5 t80 -53.99 -50.3 66.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 72.22 110.949 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 657' ' ' TRP . . . . . . . . . . . . . 68.3 m95 -71.06 -33.29 70.12 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.104 -0.498 . . . . 73.11 110.905 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 2.3 t -56.91 -32.56 66.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 64.34 110.888 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 659' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 75.51 110.878 -179.941 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 581' ' ' SER . . . . . 0.554 ' O ' HG23 ' A' ' 585' ' ' VAL . 1.5 m . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.866 0.365 . . . . 63.23 110.943 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 582' ' ' VAL . . . . . 0.454 HG12 ' OE1' ' A' ' 586' ' ' GLU . 93.2 t -53.08 -39.14 31.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 75.32 111.159 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -69.42 -47.11 65.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.12 -0.491 . . . . 71.21 111.07 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 584' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -60.39 -54.89 40.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.453 . . . . 73.11 110.877 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 585' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 581' ' ' SER . 21.5 t -58.05 -34.2 48.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 53.32 111.171 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 586' ' ' GLU . . . . . 0.591 ' HG3' HD11 ' A' ' 646' ' ' LEU . 2.4 mt-10 -61.16 -51.51 68.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 62.53 110.899 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 587' ' ' ALA . . . . . . . . . . . . . . . -65.16 -29.5 70.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.48 . . . . 71.44 111.083 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 588' ' ' LEU . . . . . 0.642 HD21 ' HA ' ' A' ' 619' ' ' LEU . 0.2 OUTLIER -68.06 -55.07 13.86 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.234 -0.439 . . . . 74.25 110.898 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 589' ' ' VAL . . . . . 0.515 HG12 ' O ' ' A' ' 585' ' ' VAL . 7.4 p -69.01 -44.18 81.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 75.3 111.166 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 590' ' ' GLU . . . . . 0.454 ' N ' HG13 ' A' ' 589' ' ' VAL . 59.3 mt-10 -51.36 -48.04 62.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.455 . . . . 71.42 110.934 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 591' ' ' ALA . . . . . 0.495 ' HB3' HG13 ' A' ' 603' ' ' VAL . . . -67.89 -35.92 79.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.089 -0.505 . . . . 75.54 111.079 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 592' ' ' VAL . . . . . . . . . . . . . 15.3 t -69.88 -27.23 32.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 75.4 111.151 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 593' ' ' GLU . . . . . 0.476 ' OE2' ' HB2' ' A' ' 653' ' ' ALA . 1.0 OUTLIER -74.54 -36.45 63.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 64.43 110.877 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -85.91 -48.04 9.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 74.41 110.816 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 595' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -80.11 -24.4 40.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.261 -0.427 . . . . 62.24 110.897 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 596' ' ' GLY . . . . . . . . . . . . . . . 86.22 -171.41 44.16 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.652 -0.785 . . . . 64.01 112.397 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 5.4 p -98.77 32.47 2.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.801 0.334 . . . . 42.33 111.172 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 598' ' ' GLY . . . . . . . . . . . . . . . -134.27 4.19 4.48 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.696 -0.764 . . . . 55.43 112.531 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 599' ' ' ARG . . . . . 0.651 ' O ' HG23 ' A' ' 603' ' ' VAL . 42.1 mtt85 -133.84 84.29 2.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.856 0.36 . . . . 71.11 110.864 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 600' ' ' TRP . . . . . 0.563 ' HB3' HD11 ' A' ' 619' ' ' LEU . 9.7 m0 -69.62 -50.84 40.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 75.24 110.979 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 601' ' ' ARG . . . . . . . . . . . . . 24.3 ptt180 -53.4 -47.68 69.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 75.34 110.873 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 602' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -60.98 -39.5 89.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.293 -0.412 . . . . 73.34 110.882 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 603' ' ' VAL . . . . . 0.651 HG23 ' O ' ' A' ' 599' ' ' ARG . 32.9 t -59.1 -33.23 49.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 44.44 111.092 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 14.0 tptp -69.44 -45.35 69.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 62.24 110.977 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 605' ' ' MET . . . . . . . . . . . . . 29.3 mtt -72.38 -31.52 65.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 63.43 110.827 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 606' ' ' ARG . . . . . . . . . . . . . 17.7 tpp180 -78.23 -40.47 37.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.202 -0.454 . . . . 75.11 110.859 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -80.34 -70.49 0.52 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 52.43 111.076 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 608' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 72.33 110.914 -179.914 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 616' ' ' TYR . . . . . . . . . . . . . 10.4 p90 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.962 0.41 . . . . 75.45 110.936 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 617' ' ' VAL . . . . . . . . . . . . . 10.1 p -70.84 -33.79 53.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 74.01 111.185 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 618' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.14 -51.87 67.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 74.31 110.816 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 619' ' ' LEU . . . . . 0.642 ' HA ' HD21 ' A' ' 588' ' ' LEU . 1.8 pp -74.7 -27.73 60.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.256 -0.429 . . . . 51.54 110.943 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 620' ' ' LYS . . . . . . . . . . . . . 21.3 ttpp -70.07 -35.95 74.59 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.205 -0.452 . . . . 73.41 110.854 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -71.5 -47.05 57.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 71.54 110.881 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.59 -30.37 71.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 73.5 110.904 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 623' ' ' TRP . . . . . . . . . . . . . 1.5 t90 -71.36 -55.03 8.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 71.35 110.969 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 4.7 tmtt? -50.62 -49.06 57.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 62.21 110.89 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 11.3 t -64.42 -30.96 71.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 61.35 111.08 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 626' ' ' LEU . . . . . 0.489 HD11 ' CG1' ' A' ' 585' ' ' VAL . 0.5 OUTLIER -62.85 -53.81 48.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.264 -0.425 . . . . 75.53 110.965 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 627' ' ' VAL . . . . . 0.573 ' O ' HD13 ' A' ' 632' ' ' ILE . 76.9 t -55.51 -53.95 30.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.102 -0.499 . . . . 75.41 111.133 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 628' ' ' HIS . . . . . 0.536 ' HA ' HD13 ' A' ' 632' ' ' ILE . 10.6 m80 -52.4 -35.77 52.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.168 -0.469 . . . . 74.32 110.868 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 629' ' ' THR . . . . . . . . . . . . . 26.4 m -67.66 -29.98 69.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 74.32 111.151 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 630' ' ' ALA . . . . . 0.668 ' HA ' HD13 ' A' ' 647' ' ' LEU . . . -53.69 -48.9 69.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 62.03 111.052 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 631' ' ' SER . . . . . 0.683 ' C ' HD12 ' A' ' 632' ' ' ILE . 1.1 p 168.66 67.27 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.244 -0.435 . . . . 72.03 110.893 -179.735 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 632' ' ' ILE . . . . . 0.683 HD12 ' C ' ' A' ' 631' ' ' SER . 2.3 mp -125.24 -77.04 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 64.43 111.133 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 633' ' ' ALA . . . . . 0.497 ' N ' HG22 ' A' ' 632' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-O 121.582 0.706 . . . . 62.21 111.073 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 N--CA 1.465 -0.158 0 CA-C-O 120.831 0.263 . . . . 73.2 112.368 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 642' ' ' VAL . . . . . . . . . . . . . 11.8 t -108.39 133.23 20.65 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.54 0.685 . . . . 72.13 111.165 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 128.7 16.41 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.696 2.264 . . . . 43.12 112.369 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -63.14 -19.7 64.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.25 -0.432 . . . . 50.35 110.874 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -62.78 -44.43 96.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 55.02 110.878 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 646' ' ' LEU . . . . . 0.591 HD11 ' HG3' ' A' ' 586' ' ' GLU . 43.7 mt -75.21 -44.89 43.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 75.43 110.937 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 647' ' ' LEU . . . . . 0.668 HD13 ' HA ' ' A' ' 630' ' ' ALA . 45.2 mt -62.13 -38.13 87.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 71.44 110.922 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -73.25 -30.77 63.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 73.43 110.863 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 14.1 mtt180 -73.64 -48.97 28.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 72.01 110.904 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 650' ' ' VAL . . . . . . . . . . . . . 1.4 p -61.5 -33.07 55.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 72.24 111.131 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 651' ' ' LEU . . . . . 0.531 ' CD1' ' HB1' ' A' ' 630' ' ' ALA . 15.4 mt -71.16 -39.74 71.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 72.21 110.898 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -68.52 -42.62 78.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 53.43 111.082 179.751 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 653' ' ' ALA . . . . . 0.476 ' HB2' ' OE2' ' A' ' 593' ' ' GLU . . . -71.61 -49.57 38.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.255 -0.429 . . . . 32.22 111.148 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 654' ' ' HIS . . . . . . . . . . . . . 17.3 t-80 -55.42 -45.19 76.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.283 -0.417 . . . . 75.13 110.828 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -71.25 -46.87 60.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.431 . . . . 43.34 111.065 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 75.6 t80 -56.46 -49.29 75.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 74.11 110.994 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 657' ' ' TRP . . . . . . . . . . . . . 68.0 m95 -70.15 -35.94 74.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.113 -0.494 . . . . 75.32 110.965 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 12.4 t -54.05 -37.12 63.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 70.32 110.841 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 659' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.076 -0.511 . . . . 65.41 110.876 -179.962 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 581' ' ' SER . . . . . 0.429 ' O ' HG23 ' A' ' 585' ' ' VAL . 74.1 m . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.936 0.398 . . . . 71.54 110.818 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 582' ' ' VAL . . . . . . . . . . . . . 29.3 m -53.41 -34.31 22.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 75.32 111.116 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -64.0 -46.11 86.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 73.33 111.106 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 584' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -71.22 -47.97 54.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.177 -0.465 . . . . 73.42 110.872 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 585' ' ' VAL . . . . . 0.439 ' CG1' HD11 ' A' ' 626' ' ' LEU . 98.4 t -54.52 -34.71 29.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 71.24 111.155 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -53.25 -48.73 67.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 72.12 110.872 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 587' ' ' ALA . . . . . 0.76 ' HB1' ' HA ' ' A' ' 607' ' ' ALA . . . -58.78 -43.54 90.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 64.34 111.102 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 588' ' ' LEU . . . . . 0.569 HD13 ' O ' ' A' ' 588' ' ' LEU . 2.1 tm? -55.53 -46.83 77.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 73.44 110.917 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 589' ' ' VAL . . . . . 0.444 ' HA ' HG12 ' A' ' 592' ' ' VAL . 29.0 t -71.64 -55.87 12.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 72.31 111.119 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -53.0 -30.53 35.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 73.41 110.861 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 591' ' ' ALA . . . . . 0.473 ' HB2' ' HG3' ' A' ' 606' ' ' ARG . . . -76.11 -48.78 19.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.131 -0.486 . . . . 44.1 111.116 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 592' ' ' VAL . . . . . 0.735 HG11 ' CE3' ' A' ' 623' ' ' TRP . 9.3 p -74.13 -22.26 18.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 72.32 111.149 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -72.33 -42.76 65.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 72.41 110.883 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 4.7 t-80 -82.54 -44.78 15.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 70.31 110.828 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 595' ' ' LEU . . . . . 0.482 HD13 ' HB3' ' A' ' 602' ' ' ASP . 8.3 mt -79.85 -18.05 51.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 75.14 110.927 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 596' ' ' GLY . . . . . . . . . . . . . . . 85.42 -179.77 50.55 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.819 -0.705 . . . . 62.54 112.509 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 2.6 p -92.72 27.9 2.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.844 0.354 . . . . 73.24 111.129 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 598' ' ' GLY . . . . . . . . . . . . . . . -126.21 -5.43 6.16 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.777 -0.725 . . . . 54.43 112.499 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 599' ' ' ARG . . . . . 0.685 ' O ' HG23 ' A' ' 603' ' ' VAL . 0.0 OUTLIER -123.33 79.78 1.71 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.762 0.315 . . . . 53.54 110.889 -179.815 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 600' ' ' TRP . . . . . 0.635 ' HB3' HD11 ' A' ' 619' ' ' LEU . 5.0 m0 -69.68 -43.04 73.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.243 -0.435 . . . . 75.11 110.884 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 601' ' ' ARG . . . . . . . . . . . . . 18.6 ttm180 -52.76 -49.09 66.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.274 -0.421 . . . . 71.41 110.914 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 602' ' ' ASP . . . . . 0.482 ' HB3' HD13 ' A' ' 595' ' ' LEU . 7.8 m-20 -66.78 -31.51 72.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 72.11 110.847 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 603' ' ' VAL . . . . . 0.685 HG23 ' O ' ' A' ' 599' ' ' ARG . 40.2 t -65.85 -35.79 75.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 72.41 111.078 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 16.8 tptp -69.07 -46.33 68.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 70.2 110.911 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 605' ' ' MET . . . . . . . . . . . . . 11.8 mmm -72.48 -31.46 65.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 73.34 110.932 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 606' ' ' ARG . . . . . 0.473 ' HG3' ' HB2' ' A' ' 591' ' ' ALA . 18.5 tpp180 -77.09 -40.34 46.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 72.12 110.825 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 607' ' ' ALA . . . . . 0.76 ' HA ' ' HB1' ' A' ' 587' ' ' ALA . . . -80.81 -66.86 0.83 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.286 -0.415 . . . . 62.12 111.125 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 608' ' ' PHE . . . . . . . . . . . . . 69.2 m-85 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 74.14 110.909 179.957 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 616' ' ' TYR . . . . . . . . . . . . . 15.7 p90 . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.945 0.402 . . . . 74.13 110.92 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 617' ' ' VAL . . . . . . . . . . . . . 10.5 p -69.01 -33.38 58.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.082 -0.508 . . . . 50.21 111.138 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 618' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.07 -51.18 67.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 74.51 110.835 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 619' ' ' LEU . . . . . 0.635 HD11 ' HB3' ' A' ' 600' ' ' TRP . 3.6 pp -73.07 -37.87 66.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 75.52 110.933 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 620' ' ' LYS . . . . . 0.513 ' N ' HD12 ' A' ' 619' ' ' LEU . 0.6 OUTLIER -66.63 -33.6 76.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 60.43 110.894 179.832 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -68.35 -49.3 61.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 74.23 110.842 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.63 -43.97 80.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 72.53 110.835 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 623' ' ' TRP . . . . . 0.735 ' CE3' HG11 ' A' ' 592' ' ' VAL . 14.6 t-105 -64.34 -45.18 88.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 71.41 110.903 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -49.33 -51.49 34.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 73.2 110.896 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 11.2 t -72.22 -27.32 62.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.246 -0.434 . . . . 70.44 111.191 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 626' ' ' LEU . . . . . 0.752 HD22 HG21 ' A' ' 650' ' ' VAL . 0.4 OUTLIER -63.05 -55.58 24.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 74.23 110.925 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 627' ' ' VAL . . . . . 0.648 ' O ' HD13 ' A' ' 632' ' ' ILE . 4.1 p -59.92 -44.7 95.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 70.44 111.103 179.804 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 628' ' ' HIS . . . . . 0.426 ' N ' HG13 ' A' ' 627' ' ' VAL . 3.3 m170 -60.19 -26.84 66.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 54.52 110.851 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 629' ' ' THR . . . . . . . . . . . . . 17.4 m -77.46 -29.45 52.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.173 -0.467 . . . . 75.1 111.206 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 630' ' ' ALA . . . . . 0.591 ' HA ' HD13 ' A' ' 647' ' ' LEU . . . -53.13 -48.27 68.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 64.34 111.075 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 631' ' ' SER . . . . . 0.732 ' C ' HD12 ' A' ' 632' ' ' ILE . 0.4 OUTLIER 172.66 67.66 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 52.43 110.858 -179.799 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 632' ' ' ILE . . . . . 0.732 HD12 ' C ' ' A' ' 631' ' ' SER . 2.3 mp -130.75 -73.7 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 71.33 111.106 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 633' ' ' ALA . . . . . 0.479 ' N ' HG22 ' A' ' 632' ' ' ILE . . . . . . . . 0 C--N 1.328 -0.351 0 CA-C-O 121.546 0.688 . . . . 55.4 111.135 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.231 0.17 0 CA-C-O 120.857 0.274 . . . . 71.14 112.319 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 642' ' ' VAL . . . . . 0.648 HG21 HD11 ' A' ' 647' ' ' LEU . 12.1 m -95.43 139.19 21.87 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.571 0.701 . . . . 70.53 111.115 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 128.78 16.59 Favored 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.713 2.275 . . . . 55.53 112.428 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -62.18 -18.57 61.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 61.44 110.868 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -65.58 -42.48 91.7 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.22 -0.446 . . . . 64.13 110.904 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 646' ' ' LEU . . . . . 0.652 ' O ' HG23 ' A' ' 650' ' ' VAL . 38.6 mt -74.31 -48.82 25.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 73.21 110.835 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 647' ' ' LEU . . . . . 0.648 HD11 HG21 ' A' ' 642' ' ' VAL . 55.9 mt -54.09 -41.31 68.11 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.219 -0.446 . . . . 52.23 110.967 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -64.55 -49.64 70.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 70.3 110.821 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 649' ' ' ARG . . . . . 0.421 ' O ' ' HB3' ' A' ' 652' ' ' ALA . 3.4 mmm180 -62.55 -39.77 94.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 72.31 110.863 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 650' ' ' VAL . . . . . 0.752 HG21 HD22 ' A' ' 626' ' ' LEU . 75.2 t -58.78 -51.37 72.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 63.23 111.106 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 651' ' ' LEU . . . . . 0.541 HD23 HG23 ' A' ' 627' ' ' VAL . 14.4 mt -61.37 -25.35 67.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 64.53 110.895 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 652' ' ' ALA . . . . . 0.421 ' HB3' ' O ' ' A' ' 649' ' ' ARG . . . -64.99 -51.76 59.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 72.53 111.092 179.796 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 653' ' ' ALA . . . . . 0.476 ' HB3' ' CH2' ' A' ' 623' ' ' TRP . . . -72.07 -44.54 63.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 63.45 111.091 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 654' ' ' HIS . . . . . 0.547 ' CG ' HG21 ' A' ' 627' ' ' VAL . 13.7 t-80 -54.12 -44.69 71.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.311 -0.404 . . . . 63.21 110.879 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -77.51 -47.11 20.4 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.155 -0.475 . . . . 60.02 111.069 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -54.03 -50.38 66.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 74.43 110.883 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 657' ' ' TRP . . . . . . . . . . . . . 69.2 m95 -71.05 -32.75 69.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.165 -0.471 . . . . 65.23 110.919 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 2.4 t -56.57 -35.26 67.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.271 -0.422 . . . . 75.31 110.873 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 659' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 72.3 110.904 -179.935 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 41.2 m . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.863 0.363 . . . . 64.24 110.878 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 582' ' ' VAL . . . . . . . . . . . . . 14.0 m -51.77 -37.57 20.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 73.31 111.141 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -69.03 -43.68 74.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 62.44 111.088 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 584' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -65.82 -55.24 18.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 74.11 110.843 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 585' ' ' VAL . . . . . 0.628 HG22 ' HE3' ' A' ' 622' ' ' LYS . 80.6 t -54.68 -34.03 28.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.475 . . . . 72.44 111.149 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 586' ' ' GLU . . . . . 0.525 ' HG2' HD21 ' A' ' 646' ' ' LEU . 34.0 mt-10 -56.3 -38.93 71.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 72.51 110.889 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 587' ' ' ALA . . . . . . . . . . . . . . . -68.16 -34.12 75.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.108 -0.496 . . . . 61.42 111.054 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 588' ' ' LEU . . . . . 0.445 HD13 ' C ' ' A' ' 588' ' ' LEU . 2.2 tm? -68.68 -55.0 12.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 74.34 110.832 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 589' ' ' VAL . . . . . 1.016 HG11 HD22 ' A' ' 646' ' ' LEU . 4.2 p -62.71 -48.27 88.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 55.12 111.141 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 590' ' ' GLU . . . . . 0.495 ' N ' HG13 ' A' ' 589' ' ' VAL . 63.0 mt-10 -58.66 -30.27 67.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 45.53 110.896 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -73.87 -43.91 57.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 75.14 111.037 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 592' ' ' VAL . . . . . 0.43 HG12 ' HA ' ' A' ' 589' ' ' VAL . 7.2 p -75.94 -25.85 17.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 74.02 111.097 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.32 -41.96 65.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 75.35 110.898 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 64.4 t-80 -84.54 -46.63 11.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 75.1 110.898 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 595' ' ' LEU . . . . . 0.659 HD22 ' HB3' ' A' ' 602' ' ' ASP . 9.6 mt -79.49 -15.97 56.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 74.35 110.909 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 596' ' ' GLY . . . . . . . . . . . . . . . 79.15 165.31 29.45 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.772 -0.728 . . . . 73.43 112.452 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 16.9 p -72.94 -7.0 49.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.824 0.345 . . . . 74.35 111.086 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 598' ' ' GLY . . . . . . . . . . . . . . . -98.62 18.18 57.3 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.748 -0.739 . . . . 64.53 112.449 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 599' ' ' ARG . . . . . 0.657 ' O ' HG23 ' A' ' 603' ' ' VAL . 38.5 mtt85 -137.87 64.76 1.5 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.801 0.334 . . . . 75.4 110.873 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 600' ' ' TRP . . . . . . . . . . . . . 21.4 m0 -59.85 -50.77 72.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.163 -0.471 . . . . 65.23 110.891 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 601' ' ' ARG . . . . . . . . . . . . . 15.4 ptt180 -53.29 -46.74 69.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 64.51 110.849 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 602' ' ' ASP . . . . . 0.659 ' HB3' HD22 ' A' ' 595' ' ' LEU . 2.2 m-20 -63.25 -34.53 77.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 73.2 110.871 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 603' ' ' VAL . . . . . 0.766 HG11 HD13 ' A' ' 619' ' ' LEU . 66.9 t -65.34 -31.94 56.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 74.5 111.153 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.92 -49.33 59.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 75.51 110.865 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 605' ' ' MET . . . . . . . . . . . . . 19.0 ptp -73.32 -31.31 63.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.275 -0.421 . . . . 74.44 110.854 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 606' ' ' ARG . . . . . 0.657 ' CB ' HD11 ' A' ' 595' ' ' LEU . 18.7 tpp85 -71.82 -41.01 68.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 75.34 110.878 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -92.02 -69.91 0.72 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 54.13 111.106 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 608' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 75.42 110.869 -179.949 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 616' ' ' TYR . . . . . . . . . . . . . 14.0 p90 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.92 0.391 . . . . 72.35 110.926 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 617' ' ' VAL . . . . . . . . . . . . . 12.7 p -51.35 -32.88 13.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 55.23 111.149 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 618' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.16 -50.93 71.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 64.12 110.842 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 619' ' ' LEU . . . . . 0.766 HD13 HG11 ' A' ' 603' ' ' VAL . 0.9 OUTLIER -75.15 -28.67 60.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.16 -0.473 . . . . 61.02 110.884 -179.91 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 620' ' ' LYS . . . . . . . . . . . . . 3.7 ttpm? -70.6 -35.39 72.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.247 -0.433 . . . . 70.4 110.865 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -71.86 -48.81 43.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 74.44 110.82 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 622' ' ' LYS . . . . . 0.628 ' HE3' HG22 ' A' ' 585' ' ' VAL . 1.0 OUTLIER -55.14 -44.03 74.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 45.13 110.865 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 623' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -67.88 -47.59 68.45 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.275 -0.42 . . . . 74.43 110.905 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 6.6 tttp -56.34 -55.28 35.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 73.34 110.889 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 12.8 t -60.73 -30.9 70.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 71.41 111.168 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 626' ' ' LEU . . . . . 0.523 HD11 HG13 ' A' ' 585' ' ' VAL . 3.4 mt -65.0 -47.28 78.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 74.2 110.952 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 627' ' ' VAL . . . . . 0.69 ' O ' HD13 ' A' ' 632' ' ' ILE . 87.7 t -58.63 -55.06 25.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.244 -0.434 . . . . 55.13 111.15 179.803 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 628' ' ' HIS . . . . . 0.423 ' HA ' ' HB ' ' A' ' 632' ' ' ILE . 23.4 m80 -52.81 -33.91 51.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 70.13 110.844 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 629' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -79.31 -28.81 42.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 71.34 111.225 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 630' ' ' ALA . . . . . 0.645 ' HA ' HD13 ' A' ' 647' ' ' LEU . . . -51.81 -49.66 62.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 73.41 111.052 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 631' ' ' SER . . . . . 0.732 ' C ' HD12 ' A' ' 632' ' ' ILE . 13.1 t 173.66 67.12 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 32.43 110.881 -179.816 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 632' ' ' ILE . . . . . 0.732 HD12 ' C ' ' A' ' 631' ' ' SER . 2.7 mp -135.35 -74.39 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.063 -0.517 . . . . 70.11 111.127 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 633' ' ' ALA . . . . . 0.471 ' N ' HG22 ' A' ' 632' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 121.558 0.694 . . . . 41.53 111.126 179.788 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.138 0 CA-C-O 120.804 0.252 . . . . 71.44 112.419 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 642' ' ' VAL . . . . . 0.81 HG21 HD11 ' A' ' 647' ' ' LEU . 4.5 m -114.45 139.66 24.19 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.508 0.67 . . . . 73.13 111.191 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 128.5 16.11 Favored 'Trans proline' 0 C--N 1.34 0.131 0 C-N-CA 122.694 2.263 . . . . 75.11 112.31 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -66.4 -17.93 65.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.443 . . . . 74.2 110.863 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -69.02 -40.18 78.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 72.42 110.857 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 646' ' ' LEU . . . . . 1.016 HD22 HG11 ' A' ' 589' ' ' VAL . 44.0 mt -73.44 -53.84 9.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 75.12 110.923 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 647' ' ' LEU . . . . . 0.81 HD11 HG21 ' A' ' 642' ' ' VAL . 40.9 mt -53.2 -32.59 48.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.249 -0.432 . . . . 73.31 110.865 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -69.95 -46.75 64.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 63.31 110.894 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 20.2 mmt180 -65.82 -40.67 92.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 63.5 110.839 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 650' ' ' VAL . . . . . 0.652 ' CG1' HG22 ' A' ' 627' ' ' VAL . 70.0 t -57.56 -48.24 83.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 71.3 111.126 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 651' ' ' LEU . . . . . 0.439 HD11 ' HB3' ' A' ' 631' ' ' SER . 22.0 mt -65.74 -28.75 69.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 72.13 110.93 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -67.59 -48.8 65.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 40.41 111.106 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -73.25 -44.83 58.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.261 -0.427 . . . . 60.43 111.068 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 654' ' ' HIS . . . . . . . . . . . . . 62.6 t60 -53.08 -47.6 68.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.258 -0.428 . . . . 73.42 110.856 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -70.17 -45.24 67.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 53.23 111.125 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 72.5 t80 -55.7 -50.07 71.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 65.32 110.878 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 657' ' ' TRP . . . . . . . . . . . . . 58.5 m95 -70.24 -37.19 74.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.071 -0.513 . . . . 75.05 110.924 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 2.8 t -56.05 -32.46 64.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 71.45 110.843 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 659' ' ' GLN . . . . . . . . . . . . . 40.7 tt0 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 72.33 110.973 179.989 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 581' ' ' SER . . . . . 0.752 ' O ' HG12 ' A' ' 585' ' ' VAL . 14.8 m . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.889 0.376 . . . . 73.22 110.878 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 582' ' ' VAL . . . . . 0.617 HG13 ' HG3' ' A' ' 643' ' ' PRO . 87.9 t -51.5 -38.92 21.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.12 -0.491 . . . . 73.54 111.065 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -72.06 -32.6 67.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 74.52 111.108 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 584' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -75.28 -56.39 4.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 72.52 110.922 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 585' ' ' VAL . . . . . 0.752 HG12 ' O ' ' A' ' 581' ' ' SER . 2.3 p -54.16 -32.85 23.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 71.43 111.138 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -50.08 -30.45 10.97 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.189 -0.46 . . . . 64.42 110.848 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 587' ' ' ALA . . . . . 0.47 ' HB1' ' HA ' ' A' ' 607' ' ' ALA . . . -75.54 -40.52 56.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 64.51 111.099 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 588' ' ' LEU . . . . . 0.488 ' O ' HG23 ' A' ' 592' ' ' VAL . 2.3 tm? -53.3 -54.78 31.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.278 -0.419 . . . . 72.23 110.959 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 589' ' ' VAL . . . . . 0.491 HG23 ' CZ3' ' A' ' 623' ' ' TRP . 7.6 p -67.48 -44.11 86.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.172 -0.467 . . . . 62.33 111.119 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 590' ' ' GLU . . . . . 0.451 ' N ' HG13 ' A' ' 589' ' ' VAL . 6.2 mm-40 -53.77 -47.2 70.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 62.53 110.881 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 591' ' ' ALA . . . . . 0.623 ' HB3' HG13 ' A' ' 603' ' ' VAL . . . -66.24 -35.87 81.55 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.183 -0.462 . . . . 60.13 111.126 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 592' ' ' VAL . . . . . 0.492 HG11 ' CE3' ' A' ' 623' ' ' TRP . 65.1 t -74.32 -24.84 19.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 74.21 111.092 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -72.6 -41.28 65.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 71.21 110.954 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 14.7 t-160 -86.79 -46.16 10.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 64.34 110.896 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 595' ' ' LEU . . . . . 0.535 HD13 ' HB2' ' A' ' 602' ' ' ASP . 23.7 mt -78.67 -23.8 45.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.433 . . . . 64.43 110.976 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 596' ' ' GLY . . . . . . . . . . . . . . . 83.38 -174.67 52.25 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.782 -0.723 . . . . 61.14 112.468 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 71.5 p -93.7 28.77 2.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.852 0.358 . . . . 70.22 111.167 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 598' ' ' GLY . . . . . . . . . . . . . . . -123.94 -9.77 5.56 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.663 -0.779 . . . . 73.12 112.467 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 599' ' ' ARG . . . . . 0.724 ' O ' HG23 ' A' ' 603' ' ' VAL . 30.6 mtp180 -121.4 78.57 1.44 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.791 0.329 . . . . 73.14 110.867 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 600' ' ' TRP . . . . . 0.487 ' HB3' HD11 ' A' ' 619' ' ' LEU . 2.8 m0 -67.75 -50.16 58.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.196 -0.456 . . . . 52.15 110.898 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 601' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -53.41 -44.95 69.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.426 . . . . 63.14 110.835 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 602' ' ' ASP . . . . . 0.535 ' HB2' HD13 ' A' ' 595' ' ' LEU . 1.8 m-20 -64.47 -34.55 78.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 61.21 110.919 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 603' ' ' VAL . . . . . 0.724 HG23 ' O ' ' A' ' 599' ' ' ARG . 51.9 t -64.19 -33.74 64.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 74.13 111.128 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.45 -49.35 55.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.198 -0.456 . . . . 72.13 110.921 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 605' ' ' MET . . . . . . . . . . . . . 5.1 ptm -70.87 -31.44 68.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 73.51 110.816 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 606' ' ' ARG . . . . . . . . . . . . . 5.2 ttt-85 -76.58 -40.61 49.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 72.34 110.838 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 607' ' ' ALA . . . . . 0.47 ' HA ' ' HB1' ' A' ' 587' ' ' ALA . . . -82.37 -66.91 0.83 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.276 -0.42 . . . . 71.34 111.113 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 608' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 74.42 110.815 -179.856 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 616' ' ' TYR . . . . . . . . . . . . . 24.5 p90 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.921 0.391 . . . . 75.21 110.905 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 617' ' ' VAL . . . . . . . . . . . . . 8.5 p -72.02 -33.36 47.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.092 -0.504 . . . . 72.42 111.104 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 618' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.3 -51.5 63.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 73.1 110.854 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 619' ' ' LEU . . . . . 0.487 HD11 ' HB3' ' A' ' 600' ' ' TRP . 3.9 pp -70.96 -40.98 71.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 72.32 110.886 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 620' ' ' LYS . . . . . 0.435 ' N ' HD12 ' A' ' 619' ' ' LEU . 16.2 ttmm -59.86 -54.25 48.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 72.24 110.894 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -54.76 -41.89 71.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 53.45 110.907 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.98 -40.67 70.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 72.41 110.905 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 623' ' ' TRP . . . . . 0.693 ' CZ3' HG23 ' A' ' 650' ' ' VAL . 15.5 t-105 -67.65 -46.48 72.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 74.11 110.931 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -51.89 -55.1 22.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 70.22 110.887 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 10.6 t -62.29 -29.04 70.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 72.43 111.179 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 626' ' ' LEU . . . . . 0.595 ' HB3' HG21 ' A' ' 650' ' ' VAL . 0.4 OUTLIER -64.84 -52.23 57.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.21 -0.45 . . . . 64.2 110.878 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 627' ' ' VAL . . . . . 0.63 HG22 HG22 ' A' ' 650' ' ' VAL . 91.5 t -60.16 -54.28 37.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 33.01 111.11 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 628' ' ' HIS . . . . . 0.42 ' HA ' HD13 ' A' ' 632' ' ' ILE . 46.3 m80 -53.39 -27.75 25.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 75.24 110.9 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 629' ' ' THR . . . . . . . . . . . . . 4.1 m -75.94 -30.8 58.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 53.43 111.1 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 630' ' ' ALA . . . . . 0.657 ' HA ' HD13 ' A' ' 647' ' ' LEU . . . -53.52 -49.07 68.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 63.01 111.111 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 631' ' ' SER . . . . . 0.593 ' C ' HD12 ' A' ' 632' ' ' ILE . 0.4 OUTLIER 167.79 68.54 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 51.35 110.862 -179.833 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 632' ' ' ILE . . . . . 0.6 HD13 ' O ' ' A' ' 627' ' ' VAL . 1.8 mp -118.56 -74.03 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.486 . . . . 74.02 111.106 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 633' ' ' ALA . . . . . 0.562 ' N ' HG22 ' A' ' 632' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-O 121.622 0.725 . . . . 45.13 111.074 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo . . . . . 0 N--CA 1.465 -0.194 0 CA-C-O 120.808 0.253 . . . . 70.41 112.327 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 642' ' ' VAL . . . . . 0.688 HG21 HD11 ' A' ' 647' ' ' LEU . 1.6 m -133.92 140.93 37.91 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.666 0.746 . . . . 71.34 111.108 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 643' ' ' PRO . . . . . 0.617 ' HG3' HG13 ' A' ' 582' ' ' VAL . 53.9 Cg_endo -69.77 127.27 14.34 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.686 2.257 . . . . 73.12 112.312 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 28.4 tp60 -73.27 -23.06 60.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 74.22 110.923 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -71.03 -35.48 72.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 64.32 110.835 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 646' ' ' LEU . . . . . 0.42 HD12 ' CG ' ' A' ' 643' ' ' PRO . 17.9 mt -75.48 -47.21 28.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 71.3 110.886 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 647' ' ' LEU . . . . . 0.688 HD11 HG21 ' A' ' 642' ' ' VAL . 39.1 mt -61.35 -35.14 76.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 73.4 110.864 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.36 -43.79 55.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 74.34 110.88 179.774 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 6.2 mmm180 -66.96 -49.46 65.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.167 -0.469 . . . . 71.45 110.854 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 650' ' ' VAL . . . . . 0.693 HG23 ' CZ3' ' A' ' 623' ' ' TRP . 2.6 p -56.48 -34.51 41.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 63.23 111.092 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 651' ' ' LEU . . . . . 0.476 HD23 HG13 ' A' ' 627' ' ' VAL . 15.8 mt -72.27 -32.42 66.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.151 -0.477 . . . . 43.34 110.85 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -63.08 -51.85 64.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 63.21 111.071 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 653' ' ' ALA . . . . . 0.624 ' HB3' ' HH2' ' A' ' 623' ' ' TRP . . . -68.18 -50.9 51.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 72.14 111.001 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 654' ' ' HIS . . . . . 0.403 ' CG ' HG11 ' A' ' 627' ' ' VAL . 29.0 t60 -54.68 -34.44 62.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.294 -0.412 . . . . 73.43 110.811 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -77.81 -46.95 20.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 64.44 111.128 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 75.0 t80 -60.48 -48.22 82.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 64.25 110.951 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 657' ' ' TRP . . . . . . . . . . . . . 41.0 m95 -67.72 -34.23 76.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.092 -0.504 . . . . 60.13 110.944 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 3.3 t -60.89 -35.78 77.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 72.3 110.92 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 659' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 61.34 110.918 -179.942 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 581' ' ' SER . . . . . 0.617 ' O ' HG23 ' A' ' 585' ' ' VAL . 30.0 m . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.934 0.397 . . . . 64.42 110.887 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 582' ' ' VAL . . . . . . . . . . . . . 27.1 m -56.66 -33.81 41.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.137 -0.483 . . . . 65.23 111.13 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -69.16 -43.45 74.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.463 . . . . 70.11 111.134 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 584' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -71.14 -46.82 60.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 73.12 110.824 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 585' ' ' VAL . . . . . 0.617 HG23 ' O ' ' A' ' 581' ' ' SER . 95.5 t -54.29 -34.99 28.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 62.12 111.148 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -52.38 -50.91 61.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 60.02 110.876 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 587' ' ' ALA . . . . . 0.711 ' HB1' ' HA ' ' A' ' 607' ' ' ALA . . . -58.85 -40.36 84.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.117 -0.492 . . . . 74.23 111.123 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 588' ' ' LEU . . . . . 0.476 HD13 ' O ' ' A' ' 588' ' ' LEU . 0.2 OUTLIER -55.91 -47.44 77.46 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.197 -0.456 . . . . 54.51 110.925 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 589' ' ' VAL . . . . . 0.506 HG22 HD13 ' A' ' 626' ' ' LEU . 41.1 t -70.78 -54.08 19.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 75.13 111.094 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 73.3 mt-10 -51.18 -47.65 62.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.468 . . . . 72.0 110.912 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -61.22 -39.68 91.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 75.34 111.154 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 592' ' ' VAL . . . . . 0.409 HG23 ' O ' ' A' ' 588' ' ' LEU . 41.5 t -74.02 -25.97 20.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 72.53 111.096 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -73.85 -39.05 64.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 61.01 110.895 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -86.33 -47.46 9.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 71.52 110.813 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 595' ' ' LEU . . . . . 0.527 HD22 ' HB3' ' A' ' 602' ' ' ASP . 17.3 mt -79.45 -23.58 43.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 72.44 110.855 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 596' ' ' GLY . . . . . . . . . . . . . . . 85.95 -176.1 48.85 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.702 -0.761 . . . . 65.34 112.476 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 5.9 p -94.83 26.21 3.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.846 0.355 . . . . 73.23 111.096 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 598' ' ' GLY . . . . . . . . . . . . . . . -125.9 6.06 7.85 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.729 -0.748 . . . . 54.35 112.502 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 599' ' ' ARG . . . . . 0.629 ' O ' HG23 ' A' ' 603' ' ' VAL . 42.6 mtt180 -133.06 83.71 2.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.826 0.346 . . . . 75.24 110.875 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 600' ' ' TRP . . . . . . . . . . . . . 10.1 m0 -69.56 -50.51 44.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 73.12 110.909 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 601' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.49 -47.68 69.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.296 -0.411 . . . . 74.1 110.843 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 602' ' ' ASP . . . . . 0.527 ' HB3' HD22 ' A' ' 595' ' ' LEU . 1.8 m-20 -60.5 -39.39 87.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 62.42 110.885 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 603' ' ' VAL . . . . . 0.897 HG11 HD13 ' A' ' 619' ' ' LEU . 40.3 t -61.61 -31.49 50.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 74.32 111.154 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 13.7 tttp -68.45 -49.65 58.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 75.24 110.876 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 605' ' ' MET . . . . . . . . . . . . . 17.9 ptm -72.91 -31.31 64.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 51.53 110.891 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 606' ' ' ARG . . . . . 0.461 ' CB ' HD11 ' A' ' 595' ' ' LEU . 7.3 tpm_? -75.08 -41.1 59.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 64.0 110.902 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 607' ' ' ALA . . . . . 0.711 ' HA ' ' HB1' ' A' ' 587' ' ' ALA . . . -82.27 -60.39 2.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 73.44 111.115 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 608' ' ' PHE . . . . . . . . . . . . . 49.6 m-85 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.274 -0.421 . . . . 63.1 110.849 -179.939 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 616' ' ' TYR . . . . . . . . . . . . . 53.4 p90 . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.913 0.387 . . . . 74.41 110.891 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 617' ' ' VAL . . . . . . . . . . . . . 14.8 p -71.76 -33.04 47.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 70.11 111.138 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 618' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.04 -50.7 60.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 71.41 110.875 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 619' ' ' LEU . . . . . 0.897 HD13 HG11 ' A' ' 603' ' ' VAL . 1.3 pp -54.19 -32.9 56.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.191 -0.458 . . . . 72.51 110.899 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 620' ' ' LYS . . . . . . . . . . . . . 1.5 ttpp -63.01 -54.79 32.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 72.55 110.862 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -54.76 -30.83 57.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.282 -0.417 . . . . 64.13 110.916 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 622' ' ' LYS . . . . . 0.484 ' HZ1' HG22 ' A' ' 585' ' ' VAL . 0.1 OUTLIER -67.05 -41.3 86.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 65.14 110.924 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 623' ' ' TRP . . . . . 0.419 ' CZ2' HG13 ' A' ' 650' ' ' VAL . 35.2 t-105 -67.2 -49.92 62.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.468 . . . . 74.24 110.936 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -48.3 -55.92 9.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 34.32 110.879 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 10.2 t -62.07 -28.74 69.82 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.22 -0.445 . . . . 74.41 111.188 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 626' ' ' LEU . . . . . 0.58 HD11 ' CG1' ' A' ' 585' ' ' VAL . 0.5 OUTLIER -65.08 -47.66 76.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 53.02 110.909 179.952 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 627' ' ' VAL . . . . . 0.582 ' O ' HD13 ' A' ' 632' ' ' ILE . 74.8 t -58.14 -54.95 25.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 64.41 111.123 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 628' ' ' HIS . . . . . 0.528 ' HA ' HD13 ' A' ' 632' ' ' ILE . 3.6 m80 -53.04 -31.3 40.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 62.45 110.859 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 629' ' ' THR . . . . . 0.409 ' CG2' HG21 ' A' ' 642' ' ' VAL . 51.7 m -72.42 -29.93 64.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 53.1 111.123 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 630' ' ' ALA . . . . . 0.612 ' CA ' HD22 ' A' ' 647' ' ' LEU . . . -53.92 -50.19 66.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.424 . . . . 73.44 111.032 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 631' ' ' SER . . . . . 0.709 ' C ' HD12 ' A' ' 632' ' ' ILE . 11.5 t 172.41 68.09 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.266 -0.425 . . . . 65.13 110.842 -179.786 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 632' ' ' ILE . . . . . 0.709 HD12 ' C ' ' A' ' 631' ' ' SER . 2.3 mp -127.02 -75.85 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.101 -0.499 . . . . 54.14 111.059 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 633' ' ' ALA . . . . . 0.468 ' N ' HG22 ' A' ' 632' ' ' ILE . . . . . . . . 0 C--N 1.328 -0.327 0 CA-C-O 121.604 0.716 . . . . 51.14 111.116 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 N--CA 1.465 -0.161 0 CA-C-O 120.82 0.259 . . . . 74.32 112.307 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 642' ' ' VAL . . . . . 0.409 HG21 ' CG2' ' A' ' 629' ' ' THR . 3.5 t -92.38 132.42 32.02 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.649 0.738 . . . . 74.32 111.13 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 128.6 16.29 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.62 2.213 . . . . 72.11 112.376 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -64.79 -20.24 66.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 74.04 110.919 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -60.45 -45.44 93.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.136 -0.484 . . . . 60.42 110.915 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 646' ' ' LEU . . . . . . . . . . . . . 25.6 mt -75.49 -53.28 8.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 72.22 110.871 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 647' ' ' LEU . . . . . 0.612 HD22 ' CA ' ' A' ' 630' ' ' ALA . 91.9 mt -52.25 -34.7 47.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 71.24 110.907 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -71.12 -45.94 62.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 74.24 110.913 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 83.5 mtt180 -65.57 -36.6 84.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.106 -0.497 . . . . 72.42 110.859 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 650' ' ' VAL . . . . . 0.549 ' CG1' HG22 ' A' ' 627' ' ' VAL . 43.0 t -64.09 -49.85 79.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.491 . . . . 71.0 111.167 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 651' ' ' LEU . . . . . 0.477 HD13 ' CB ' ' A' ' 630' ' ' ALA . 1.0 OUTLIER -62.66 -29.53 70.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.11 -0.495 . . . . 52.33 110.823 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -64.48 -50.46 67.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.267 -0.424 . . . . 62.41 111.121 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -75.68 -42.17 51.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 53.22 111.073 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 654' ' ' HIS . . . . . . . . . . . . . 62.9 t60 -54.54 -46.98 73.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 73.2 110.873 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -73.11 -46.9 48.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 75.03 111.112 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -54.25 -50.08 68.03 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.203 -0.453 . . . . 74.02 110.919 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 657' ' ' TRP . . . . . . . . . . . . . 71.0 m95 -71.05 -36.77 72.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.112 -0.495 . . . . 74.42 110.942 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 9.5 t -54.11 -31.82 53.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 62.35 110.855 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 659' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.079 -0.51 . . . . 63.13 110.958 -179.991 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 581' ' ' SER . . . . . 0.54 ' O ' HG23 ' A' ' 585' ' ' VAL . 1.3 m . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.912 0.387 . . . . 70.21 110.876 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 582' ' ' VAL . . . . . . . . . . . . . 59.5 t -54.05 -30.77 20.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 64.44 111.138 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -67.63 -47.47 69.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 70.14 111.098 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 584' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -71.91 -41.77 67.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 73.35 110.91 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 585' ' ' VAL . . . . . 0.684 ' O ' HG23 ' A' ' 589' ' ' VAL . 95.2 t -59.89 -35.91 63.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 74.13 111.179 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 586' ' ' GLU . . . . . 0.563 ' HG3' HD11 ' A' ' 646' ' ' LEU . 35.0 mt-10 -60.45 -48.69 80.67 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.137 -0.483 . . . . 50.45 110.867 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 587' ' ' ALA . . . . . 0.583 ' HB1' ' HA ' ' A' ' 607' ' ' ALA . . . -60.14 -32.87 71.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 62.23 111.105 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 588' ' ' LEU . . . . . 0.505 HD13 ' C ' ' A' ' 588' ' ' LEU . 3.3 tm? -70.05 -49.4 51.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 64.12 110.888 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 589' ' ' VAL . . . . . 0.684 HG23 ' O ' ' A' ' 585' ' ' VAL . 18.4 t -60.85 -57.44 12.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 63.33 111.122 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -55.77 -30.46 61.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 63.24 110.917 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -72.76 -45.74 57.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.104 -0.498 . . . . 73.54 111.102 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 592' ' ' VAL . . . . . 0.428 HG12 ' O ' ' A' ' 589' ' ' VAL . 12.7 p -74.5 -26.2 19.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.455 . . . . 75.51 111.114 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.35 -41.69 63.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 73.44 110.945 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 7.7 t-80 -84.97 -47.3 10.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.123 -0.49 . . . . 74.23 110.864 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 595' ' ' LEU . . . . . 0.577 HD13 ' C ' ' A' ' 602' ' ' ASP . 11.8 mt -79.84 -14.91 58.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.215 -0.448 . . . . 65.41 110.905 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 596' ' ' GLY . . . . . . . . . . . . . . . 81.16 170.06 42.82 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.806 -0.711 . . . . 65.02 112.487 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -80.58 0.75 32.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.834 0.349 . . . . 61.44 111.148 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 598' ' ' GLY . . . . . . . . . . . . . . . -100.16 -14.25 33.97 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.758 -0.734 . . . . 61.13 112.48 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 599' ' ' ARG . . . . . 0.673 ' O ' HG23 ' A' ' 603' ' ' VAL . 10.7 mtt85 -104.12 70.44 0.98 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.774 0.321 . . . . 61.24 110.844 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 600' ' ' TRP . . . . . . . . . . . . . 21.8 m0 -62.81 -50.43 71.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.215 -0.448 . . . . 72.14 110.901 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 601' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -53.73 -47.64 70.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.226 -0.443 . . . . 71.13 110.879 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 602' ' ' ASP . . . . . 0.577 ' C ' HD13 ' A' ' 595' ' ' LEU . 28.2 m-20 -63.03 -35.73 81.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 61.31 110.919 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 603' ' ' VAL . . . . . 0.673 HG23 ' O ' ' A' ' 599' ' ' ARG . 52.4 t -65.69 -31.69 54.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.151 -0.477 . . . . 63.05 111.199 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 1.5 ttpm? -68.19 -49.95 57.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 73.02 110.868 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 605' ' ' MET . . . . . . . . . . . . . 30.5 mtm -73.19 -30.92 63.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 75.2 110.915 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 606' ' ' ARG . . . . . 0.569 ' CB ' HD11 ' A' ' 595' ' ' LEU . 7.0 tpm_? -73.71 -41.06 63.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 72.34 110.869 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 607' ' ' ALA . . . . . 0.583 ' HA ' ' HB1' ' A' ' 587' ' ' ALA . . . -91.02 -70.16 0.7 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.478 . . . . 71.51 111.073 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 608' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 75.1 110.905 -179.941 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 616' ' ' TYR . . . . . . . . . . . . . 28.7 p90 . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.983 0.42 . . . . 55.15 110.945 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 617' ' ' VAL . . . . . . . . . . . . . 11.8 p -72.16 -33.64 47.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.123 -0.489 . . . . 62.21 111.084 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 618' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.75 -50.77 40.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.277 -0.419 . . . . 75.04 110.89 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 619' ' ' LEU . . . . . . . . . . . . . 3.1 pp -66.79 -38.23 86.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 74.12 110.967 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 620' ' ' LYS . . . . . . . . . . . . . 17.7 ttmt -66.46 -44.21 83.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 74.53 110.958 179.789 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 52.8 t0 -71.62 -35.06 70.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.16 -0.473 . . . . 60.42 110.859 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 31.8 mtpt -58.95 -42.62 90.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 62.43 110.921 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 623' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -70.23 -47.71 60.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 74.01 110.893 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 2.6 tttp -51.67 -46.91 63.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 74.13 110.874 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 15.1 t -72.43 -28.51 63.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 64.5 111.149 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 626' ' ' LEU . . . . . 0.714 HD22 HG21 ' A' ' 650' ' ' VAL . 0.6 OUTLIER -65.21 -55.22 19.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 73.05 110.904 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 627' ' ' VAL . . . . . 0.812 HG23 HD12 ' A' ' 651' ' ' LEU . 4.0 p -58.26 -45.11 89.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 71.51 111.116 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 628' ' ' HIS . . . . . 0.43 ' N ' HG13 ' A' ' 627' ' ' VAL . 0.2 OUTLIER -62.23 -26.69 68.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.187 -0.461 . . . . 73.31 110.922 179.923 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 629' ' ' THR . . . . . . . . . . . . . 7.5 m -77.17 -29.63 54.56 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.183 -0.462 . . . . 32.32 111.106 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 630' ' ' ALA . . . . . 0.769 ' HA ' HD13 ' A' ' 647' ' ' LEU . . . -53.84 -48.48 69.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.261 -0.427 . . . . 73.35 111.121 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 631' ' ' SER . . . . . 0.693 ' C ' HD12 ' A' ' 632' ' ' ILE . 0.4 OUTLIER 170.02 68.87 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 73.4 110.861 -179.824 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 632' ' ' ILE . . . . . 0.693 HD12 ' C ' ' A' ' 631' ' ' SER . 1.8 mp -123.46 -73.35 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.091 -0.504 . . . . 74.34 111.161 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 633' ' ' ALA . . . . . 0.558 ' N ' HG22 ' A' ' 632' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-O 121.621 0.724 . . . . 42.41 111.142 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.792 0.247 . . . . 55.33 112.377 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 642' ' ' VAL . . . . . 0.742 HG21 HD11 ' A' ' 647' ' ' LEU . 1.5 p -134.46 130.96 20.21 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.598 0.713 . . . . 74.42 111.099 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 643' ' ' PRO . . . . . 0.521 ' CG ' HD12 ' A' ' 646' ' ' LEU . 54.2 Cg_endo -69.79 128.51 16.1 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.691 2.261 . . . . 72.34 112.343 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -75.97 -22.59 55.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 72.2 110.932 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 52.0 t0 -70.65 -35.3 72.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 74.53 110.896 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 646' ' ' LEU . . . . . 0.678 ' O ' HG23 ' A' ' 650' ' ' VAL . 42.6 mt -76.05 -50.26 15.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 53.32 110.911 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 647' ' ' LEU . . . . . 0.769 HD13 ' HA ' ' A' ' 630' ' ' ALA . 50.1 mt -55.46 -43.06 75.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 75.52 110.942 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -64.47 -47.37 79.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 64.34 110.845 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 75.1 mtt180 -64.49 -37.5 87.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.212 -0.449 . . . . 70.11 110.868 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 650' ' ' VAL . . . . . 0.714 HG21 HD22 ' A' ' 626' ' ' LEU . 51.1 t -57.0 -49.99 77.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 50.32 111.187 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 651' ' ' LEU . . . . . 0.812 HD12 HG23 ' A' ' 627' ' ' VAL . 6.0 mp -61.82 -36.87 82.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 62.35 110.949 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -54.63 -51.09 66.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 65.32 111.1 179.761 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -76.01 -44.51 39.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 74.43 111.093 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 654' ' ' HIS . . . . . . . . . . . . . 63.3 t60 -54.15 -44.38 71.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 73.22 110.818 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -77.24 -46.79 22.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 45.22 111.103 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 79.9 t80 -53.82 -50.29 66.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 61.34 110.887 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 657' ' ' TRP . . . . . . . . . . . . . 69.4 m95 -71.31 -33.73 69.94 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.11 -0.495 . . . . 74.31 110.952 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -56.91 -31.05 64.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 74.33 110.887 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 659' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 71.32 110.849 -179.948 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 581' ' ' SER . . . . . 0.426 ' O ' HG23 ' A' ' 585' ' ' VAL . 12.9 m . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.946 0.403 . . . . 73.24 110.819 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 582' ' ' VAL . . . . . 0.69 HG13 ' HG3' ' A' ' 643' ' ' PRO . 87.0 t -51.96 -39.01 24.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.082 -0.508 . . . . 72.02 111.111 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -69.27 -34.9 75.46 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.186 -0.461 . . . . 52.2 111.064 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 584' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -75.26 -38.5 60.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 65.21 110.834 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 585' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 581' ' ' SER . 60.5 t -71.95 -34.58 51.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 73.42 111.131 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -51.22 -30.79 18.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.084 -0.507 . . . . 74.23 110.911 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 587' ' ' ALA . . . . . . . . . . . . . . . -76.16 -35.48 59.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 62.43 111.122 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 588' ' ' LEU . . . . . 0.524 ' O ' HG23 ' A' ' 592' ' ' VAL . 0.2 OUTLIER -62.88 -48.35 79.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 70.11 110.891 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 589' ' ' VAL . . . . . 0.596 HG22 HD21 ' A' ' 626' ' ' LEU . 10.4 t -68.35 -55.91 14.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 73.02 111.133 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -51.04 -43.57 60.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.083 -0.508 . . . . 72.34 110.903 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 591' ' ' ALA . . . . . 0.633 ' HB3' HG13 ' A' ' 603' ' ' VAL . . . -66.94 -41.86 86.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 63.31 111.146 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 592' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 588' ' ' LEU . 40.7 t -69.26 -25.22 28.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.262 -0.426 . . . . 75.44 111.081 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -73.23 -38.41 66.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.492 . . . . 74.32 110.852 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -86.67 -47.7 8.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 72.14 110.921 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 595' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -79.37 -24.1 42.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 74.42 110.899 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 596' ' ' GLY . . . . . 0.403 ' CA ' ' O ' ' A' ' 592' ' ' VAL . . . 87.74 -167.38 36.7 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.75 -0.738 . . . . 55.23 112.516 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 4.5 p -102.52 34.12 2.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.854 0.359 . . . . 73.55 111.108 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 598' ' ' GLY . . . . . . . . . . . . . . . -143.8 11.71 2.15 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.748 -0.739 . . . . 73.43 112.473 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 599' ' ' ARG . . . . . 0.594 ' O ' HG23 ' A' ' 603' ' ' VAL . 70.4 mtt180 -132.06 77.41 1.76 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.801 0.334 . . . . 71.13 110.842 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 600' ' ' TRP . . . . . 0.67 ' HB3' HD12 ' A' ' 619' ' ' LEU . 11.1 m0 -69.46 -50.25 47.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.485 . . . . 72.04 110.919 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 601' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.61 -36.55 56.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.43 . . . . 74.04 110.864 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 602' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -76.86 -48.72 17.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 73.03 110.904 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 603' ' ' VAL . . . . . 0.633 HG13 ' HB3' ' A' ' 591' ' ' ALA . 52.9 t -58.5 -36.09 57.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.081 -0.509 . . . . 62.12 111.154 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 604' ' ' LYS . . . . . 0.653 ' HG3' HD21 ' A' ' 619' ' ' LEU . 2.3 ttpm? -71.9 -41.24 68.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 71.23 110.901 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 605' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -71.28 -32.99 69.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 71.25 110.874 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 606' ' ' ARG . . . . . . . . . . . . . 26.7 ttm-85 -80.94 -40.48 24.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 75.1 110.847 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -83.81 -70.97 0.53 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 65.12 111.074 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 608' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 74.33 110.849 -179.883 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 616' ' ' TYR . . . . . . . . . . . . . 16.8 p90 . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.936 0.398 . . . . 73.42 110.933 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 617' ' ' VAL . . . . . . . . . . . . . 12.2 p -65.17 -32.55 58.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.084 -0.507 . . . . 73.24 111.172 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 618' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -51.52 -29.72 17.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 65.34 110.89 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 619' ' ' LEU . . . . . 0.67 HD12 ' HB3' ' A' ' 600' ' ' TRP . 4.5 mt -77.18 -53.06 8.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 72.24 110.97 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 620' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.39 -33.09 73.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 72.44 110.91 179.807 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -68.98 -50.44 49.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 71.34 110.914 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.5 -33.73 74.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 74.51 110.917 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 623' ' ' TRP . . . . . 0.729 ' CZ3' HG23 ' A' ' 650' ' ' VAL . 9.1 t-105 -74.19 -54.98 6.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 63.31 110.912 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 2.6 tmtt? -51.64 -45.48 63.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 73.2 110.896 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 9.0 t -71.04 -28.99 64.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.25 -0.432 . . . . 63.12 111.159 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 626' ' ' LEU . . . . . 0.664 ' HG ' HG21 ' A' ' 650' ' ' VAL . 4.7 tp -71.19 -55.07 8.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 71.1 110.844 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 627' ' ' VAL . . . . . 0.76 HG21 ' CG ' ' A' ' 654' ' ' HIS . 6.3 p -57.43 -43.84 83.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 71.54 111.106 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 628' ' ' HIS . . . . . 0.488 ' HA ' HD13 ' A' ' 632' ' ' ILE . 0.1 OUTLIER -57.86 -39.32 77.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 73.3 110.857 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 629' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -66.31 -29.63 69.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 65.52 111.049 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 630' ' ' ALA . . . . . 0.764 ' HA ' HD13 ' A' ' 647' ' ' LEU . . . -54.26 -49.04 70.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.307 -0.406 . . . . 61.3 111.093 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 631' ' ' SER . . . . . 0.74 ' C ' HD12 ' A' ' 632' ' ' ILE . 11.5 t 173.54 69.27 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.429 . . . . 73.05 110.842 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 632' ' ' ILE . . . . . 0.74 HD12 ' C ' ' A' ' 631' ' ' SER . 1.9 mp -129.07 -72.57 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 61.23 111.086 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 633' ' ' ALA . . . . . 0.525 ' N ' HG22 ' A' ' 632' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 121.596 0.712 . . . . 73.32 111.084 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo . . . . . 0 N--CA 1.466 -0.144 0 CA-C-O 120.824 0.26 . . . . 73.21 112.295 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 642' ' ' VAL . . . . . 0.525 HG21 HD11 ' A' ' 647' ' ' LEU . 3.2 p -133.37 134.45 23.94 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.686 0.755 . . . . 71.41 111.092 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 643' ' ' PRO . . . . . 0.69 ' HG3' HG13 ' A' ' 582' ' ' VAL . 53.7 Cg_endo -69.76 128.74 16.46 Favored 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 122.715 2.277 . . . . 70.41 112.323 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 44.0 tt0 -70.25 -25.61 63.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.232 -0.44 . . . . 64.02 110.949 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -64.56 -39.14 93.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.179 -0.464 . . . . 54.33 110.871 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 646' ' ' LEU . . . . . . . . . . . . . 17.5 mt -75.39 -42.64 53.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 74.34 110.944 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 647' ' ' LEU . . . . . 0.764 HD13 ' HA ' ' A' ' 630' ' ' ALA . 44.5 mt -67.62 -35.49 79.03 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.174 -0.466 . . . . 73.41 110.868 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -72.72 -39.8 66.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 72.12 110.892 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 16.5 mmt180 -74.69 -48.48 25.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 73.41 110.845 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 650' ' ' VAL . . . . . 0.729 HG23 ' CZ3' ' A' ' 623' ' ' TRP . 9.8 p -55.9 -35.61 41.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.238 -0.437 . . . . 71.32 111.133 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 651' ' ' LEU . . . . . 0.592 HD11 ' HB1' ' A' ' 630' ' ' ALA . 39.4 mt -72.94 -37.65 67.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 74.23 110.903 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -57.24 -52.49 65.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 61.53 111.1 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 653' ' ' ALA . . . . . 0.553 ' HB3' ' HH2' ' A' ' 623' ' ' TRP . . . -70.62 -44.09 67.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.431 . . . . 65.22 111.084 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 654' ' ' HIS . . . . . 0.76 ' CG ' HG21 ' A' ' 627' ' ' VAL . 36.0 t-80 -56.08 -44.06 78.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 72.12 110.895 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -77.42 -46.76 21.63 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.16 -0.473 . . . . 64.43 111.14 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 80.2 t80 -55.56 -50.02 71.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 74.45 110.938 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 657' ' ' TRP . . . . . . . . . . . . . 69.0 m95 -70.82 -30.92 67.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.136 -0.484 . . . . 71.31 110.922 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 8.9 t -58.99 -34.61 72.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.244 -0.434 . . . . 75.31 110.875 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 659' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 72.22 110.885 -179.951 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 34.7 m . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.887 0.375 . . . . 53.03 110.839 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 582' ' ' VAL . . . . . 0.59 HG13 ' HG3' ' A' ' 643' ' ' PRO . 85.8 t -51.7 -37.66 20.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.486 . . . . 60.43 111.155 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -69.97 -35.08 74.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 71.22 111.1 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 584' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -74.71 -52.86 10.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.291 -0.413 . . . . 64.24 110.893 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 585' ' ' VAL . . . . . 0.639 HG22 ' HE2' ' A' ' 622' ' ' LYS . 88.5 t -53.8 -33.88 24.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 33.44 111.136 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -60.69 -30.96 70.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 72.41 110.869 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 587' ' ' ALA . . . . . . . . . . . . . . . -71.25 -47.91 54.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 73.51 111.128 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 588' ' ' LEU . . . . . 0.632 HD21 ' HA ' ' A' ' 619' ' ' LEU . 0.1 OUTLIER -54.38 -54.88 34.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 71.01 110.92 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 589' ' ' VAL . . . . . 0.737 HG11 HD22 ' A' ' 646' ' ' LEU . 4.5 p -62.43 -46.47 96.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 61.22 111.181 179.832 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 590' ' ' GLU . . . . . 0.469 ' N ' HG13 ' A' ' 589' ' ' VAL . 37.7 mt-10 -51.45 -47.45 63.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.117 -0.492 . . . . 64.42 110.916 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 591' ' ' ALA . . . . . 0.433 ' HB3' HG13 ' A' ' 603' ' ' VAL . . . -70.13 -35.06 73.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.136 -0.483 . . . . 73.54 111.165 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 592' ' ' VAL . . . . . 0.413 ' O ' ' CA ' ' A' ' 596' ' ' GLY . 4.3 t -70.53 -27.94 33.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.197 -0.456 . . . . 54.43 111.097 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 593' ' ' GLU . . . . . 0.451 ' OE2' ' HB2' ' A' ' 653' ' ' ALA . 1.2 mm-40 -75.64 -35.31 60.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 63.41 110.889 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -85.6 -48.01 9.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 63.42 110.903 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 595' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -82.09 -24.65 35.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 64.33 110.879 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 596' ' ' GLY . . . . . 0.413 ' CA ' ' O ' ' A' ' 592' ' ' VAL . . . 89.96 -145.37 18.17 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.737 -0.744 . . . . 61.54 112.537 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 597' ' ' THR . . . . . 0.429 HG21 ' CD2' ' A' ' 654' ' ' HIS . 3.2 p -122.61 27.98 7.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.825 0.345 . . . . 75.15 111.162 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 598' ' ' GLY . . . . . . . . . . . . . . . -131.84 1.8 5.14 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.761 -0.733 . . . . 74.24 112.455 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 599' ' ' ARG . . . . . 0.623 ' O ' HG23 ' A' ' 603' ' ' VAL . 61.6 mtm-85 -128.09 83.03 2.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.767 0.318 . . . . 74.54 110.927 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 600' ' ' TRP . . . . . 0.45 ' HB3' HD11 ' A' ' 619' ' ' LEU . 10.8 m0 -69.35 -50.61 44.75 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.234 -0.439 . . . . 74.31 110.905 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 601' ' ' ARG . . . . . . . . . . . . . 18.5 ptt180 -53.58 -47.82 69.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.436 . . . . 75.02 110.85 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 602' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -61.62 -36.99 82.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.438 . . . . 55.3 110.882 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 603' ' ' VAL . . . . . 0.623 HG23 ' O ' ' A' ' 599' ' ' ARG . 24.8 t -62.58 -31.95 53.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.455 . . . . 72.3 111.094 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.98 -46.77 64.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 64.35 110.847 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 605' ' ' MET . . . . . . . . . . . . . 3.3 mmt -69.94 -31.36 69.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.426 . . . . 71.05 110.895 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 606' ' ' ARG . . . . . . . . . . . . . 15.7 tpp180 -78.91 -40.58 31.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 73.2 110.917 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -79.29 -65.64 0.97 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 71.22 111.111 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 608' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.275 -0.421 . . . . 73.54 110.87 -179.901 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 616' ' ' TYR . . . . . . . . . . . . . 24.6 p90 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.94 0.4 . . . . 73.3 110.958 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 617' ' ' VAL . . . . . . . . . . . . . 9.3 p -69.17 -33.92 60.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.059 -0.518 . . . . 70.5 111.137 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 618' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.67 -51.44 67.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.496 . . . . 71.34 110.839 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 619' ' ' LEU . . . . . 0.632 ' HA ' HD21 ' A' ' 588' ' ' LEU . 4.5 pp -75.71 -21.54 57.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 73.4 110.896 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 620' ' ' LYS . . . . . 0.447 ' N ' HD12 ' A' ' 619' ' ' LEU . 13.5 ttmm -74.53 -39.85 62.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.242 -0.435 . . . . 73.11 110.853 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 49.0 t0 -71.2 -45.89 62.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.262 -0.426 . . . . 64.15 110.878 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 622' ' ' LYS . . . . . 0.639 ' HE2' HG22 ' A' ' 585' ' ' VAL . 1.0 OUTLIER -63.23 -33.86 76.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 50.21 110.949 179.952 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 623' ' ' TRP . . . . . 0.45 ' O ' HG23 ' A' ' 627' ' ' VAL . 0.4 OUTLIER -66.64 -45.32 79.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 73.34 110.894 179.897 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -55.78 -54.44 44.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 64.23 110.901 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 4.2 t -62.04 -34.3 75.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 74.32 111.156 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 626' ' ' LEU . . . . . 1.08 HD22 HG21 ' A' ' 650' ' ' VAL . 0.4 OUTLIER -56.1 -53.58 55.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 65.42 110.904 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 627' ' ' VAL . . . . . 0.638 ' O ' HD13 ' A' ' 632' ' ' ILE . 8.3 t -59.84 -55.41 24.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.283 -0.417 . . . . 73.51 111.09 179.828 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 628' ' ' HIS . . . . . 0.472 ' HA ' ' HB ' ' A' ' 632' ' ' ILE . 5.8 m-70 -53.51 -27.06 23.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 64.13 110.863 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 629' ' ' THR . . . . . . . . . . . . . 52.2 m -75.97 -31.24 58.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.256 -0.429 . . . . 73.23 111.149 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 630' ' ' ALA . . . . . 0.607 ' HA ' HD13 ' A' ' 647' ' ' LEU . . . -53.01 -51.21 62.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 73.11 111.137 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 631' ' ' SER . . . . . 0.668 ' C ' HD12 ' A' ' 632' ' ' ILE . 10.8 t 169.9 66.66 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 75.55 110.845 -179.813 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 632' ' ' ILE . . . . . 0.668 HD12 ' C ' ' A' ' 631' ' ' SER . 1.9 mp -120.37 -76.63 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 71.41 111.147 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 633' ' ' ALA . . . . . 0.522 ' N ' HG22 ' A' ' 632' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-O 121.661 0.743 . . . . 70.41 111.114 179.79 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 C--O 1.231 0.153 0 CA-C-O 120.843 0.268 . . . . 72.24 112.309 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 642' ' ' VAL . . . . . 0.814 HG21 HD11 ' A' ' 647' ' ' LEU . 5.5 m -114.06 139.16 23.33 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.617 0.723 . . . . 74.41 111.173 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 643' ' ' PRO . . . . . 0.59 ' HG3' HG13 ' A' ' 582' ' ' VAL . 54.2 Cg_endo -69.68 128.24 15.82 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.641 2.228 . . . . 71.22 112.396 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 11.1 tp60 -65.47 -19.61 66.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.182 -0.463 . . . . 75.1 110.911 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -69.21 -38.07 78.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 72.32 110.9 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 646' ' ' LEU . . . . . 0.748 ' O ' HG23 ' A' ' 650' ' ' VAL . 59.6 mt -75.27 -53.79 8.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.49 . . . . 64.02 110.939 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 647' ' ' LEU . . . . . 0.814 HD11 HG21 ' A' ' 642' ' ' VAL . 34.9 mt -52.46 -43.74 65.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 74.33 110.929 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -61.65 -48.83 79.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 74.23 110.805 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -60.79 -44.34 96.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 75.35 110.848 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 650' ' ' VAL . . . . . 1.08 HG21 HD22 ' A' ' 626' ' ' LEU . 62.1 t -54.63 -48.6 71.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 74.43 111.107 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 651' ' ' LEU . . . . . 0.54 HD22 ' HB1' ' A' ' 630' ' ' ALA . 1.3 mp -71.43 -25.22 62.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 71.21 110.95 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -66.95 -49.1 66.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.471 . . . . 75.1 111.137 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 653' ' ' ALA . . . . . 0.451 ' HB2' ' OE2' ' A' ' 593' ' ' GLU . . . -71.06 -49.31 46.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.441 . . . . 55.44 111.068 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 654' ' ' HIS . . . . . 0.429 ' CD2' HG21 ' A' ' 597' ' ' THR . 36.1 m170 -58.23 -31.42 67.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 72.01 110.903 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -70.96 -46.88 61.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 74.22 111.096 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 85.7 t80 -67.98 -44.9 75.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.283 -0.417 . . . . 74.2 110.93 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 657' ' ' TRP . . . . . . . . . . . . . 20.8 m95 -64.13 -43.9 93.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.09 -0.505 . . . . 73.12 110.873 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 38.4 m -62.79 -31.84 72.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 44.34 110.813 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 659' ' ' GLN . . . . . . . . . . . . . 18.8 tp60 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 75.14 110.899 -179.92 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 581' ' ' SER . . . . . 0.489 ' O ' HG23 ' A' ' 585' ' ' VAL . 50.9 m . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.901 0.382 . . . . 53.44 110.843 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 582' ' ' VAL . . . . . 0.558 HG13 ' HG3' ' A' ' 643' ' ' PRO . 91.1 t -60.64 -42.49 91.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 70.22 111.136 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -70.01 -31.64 69.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 71.11 111.138 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 584' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -75.28 -55.23 5.92 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.228 -0.442 . . . . 73.42 110.926 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 585' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 581' ' ' SER . 98.2 t -54.75 -34.17 29.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 74.43 111.143 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -51.35 -31.04 20.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 73.4 110.861 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 587' ' ' ALA . . . . . 0.643 ' HB1' ' HA ' ' A' ' 607' ' ' ALA . . . -70.18 -37.44 75.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 70.24 111.104 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 588' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.93 -54.73 41.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 75.23 110.897 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 589' ' ' VAL . . . . . 0.629 ' CG2' HG23 ' A' ' 650' ' ' VAL . 7.7 p -66.41 -43.67 91.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.128 -0.487 . . . . 73.41 111.207 179.814 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 590' ' ' GLU . . . . . 0.444 ' N ' HG13 ' A' ' 589' ' ' VAL . 54.6 mt-10 -52.47 -47.77 66.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 73.4 110.869 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 591' ' ' ALA . . . . . 0.59 ' HB1' ' HA ' ' A' ' 603' ' ' VAL . . . -67.03 -34.67 78.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.481 . . . . 73.21 111.097 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 592' ' ' VAL . . . . . 0.426 HG11 ' NE2' ' A' ' 654' ' ' HIS . 24.1 t -74.21 -26.29 20.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.452 . . . . 70.31 111.152 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.54 -40.47 63.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.485 . . . . 74.05 110.918 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -86.01 -47.09 9.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.071 -0.513 . . . . 74.54 110.872 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 595' ' ' LEU . . . . . 0.47 HD13 ' HB2' ' A' ' 602' ' ' ASP . 17.3 mt -79.29 -23.85 43.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 62.42 110.862 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 596' ' ' GLY . . . . . 0.406 ' CA ' ' O ' ' A' ' 592' ' ' VAL . . . 87.87 -151.19 22.84 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.748 -0.739 . . . . 42.01 112.453 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 6.6 p -116.89 29.51 7.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.783 0.325 . . . . 72.53 111.113 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 598' ' ' GLY . . . . . . . . . . . . . . . -127.71 -4.0 5.82 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.709 -0.758 . . . . 44.43 112.51 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 599' ' ' ARG . . . . . 0.711 ' O ' HG23 ' A' ' 603' ' ' VAL . 32.1 mtt180 -124.3 79.85 1.78 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.807 0.337 . . . . 64.42 110.876 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 600' ' ' TRP . . . . . . . . . . . . . 15.7 m0 -67.65 -48.54 66.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.205 -0.452 . . . . 72.11 110.924 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 601' ' ' ARG . . . . . . . . . . . . . 33.5 mmt180 -52.82 -47.93 67.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.441 . . . . 74.54 110.868 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 602' ' ' ASP . . . . . 0.47 ' HB2' HD13 ' A' ' 595' ' ' LEU . 2.8 m-20 -62.53 -36.34 82.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 72.41 110.831 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 603' ' ' VAL . . . . . 0.711 HG23 ' O ' ' A' ' 599' ' ' ARG . 55.2 t -62.95 -31.99 54.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 75.25 111.06 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 14.2 ttmm -70.13 -48.85 55.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 64.53 110.897 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 605' ' ' MET . . . . . . . . . . . . . 6.0 ptm -71.4 -31.22 67.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 72.33 110.938 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 606' ' ' ARG . . . . . . . . . . . . . 7.0 tpm_? -77.02 -41.1 44.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 71.42 110.848 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 607' ' ' ALA . . . . . 0.643 ' HA ' ' HB1' ' A' ' 587' ' ' ALA . . . -85.24 -69.23 0.67 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 74.14 111.062 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 608' ' ' PHE . . . . . . . . . . . . . 72.0 m-85 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 73.55 110.904 -179.914 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 616' ' ' TYR . . . . . . . . . . . . . 27.6 p90 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.945 0.402 . . . . 74.1 110.907 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 617' ' ' VAL . . . . . . . . . . . . . 14.7 p -51.34 -33.11 13.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.061 -0.518 . . . . 75.12 111.1 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 618' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.32 -51.0 67.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 72.42 110.797 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 619' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -71.49 -25.07 62.11 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.226 -0.443 . . . . 62.42 110.904 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 620' ' ' LYS . . . . . . . . . . . . . 21.8 tttt -69.37 -38.92 78.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 72.14 110.892 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -71.57 -44.45 64.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.446 . . . . 73.45 110.899 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.16 -31.23 71.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 74.53 110.881 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 623' ' ' TRP . . . . . 0.468 ' O ' HG23 ' A' ' 627' ' ' VAL . 0.8 OUTLIER -71.57 -53.97 12.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 73.51 110.903 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 9.6 tmtt? -57.32 -48.91 77.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 75.15 110.89 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 12.3 t -62.07 -30.93 71.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.295 -0.411 . . . . 75.55 111.169 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 626' ' ' LEU . . . . . 0.406 HD13 HG21 ' A' ' 650' ' ' VAL . 2.6 mt -64.8 -54.74 26.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 74.24 110.909 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 627' ' ' VAL . . . . . 0.684 ' O ' HD13 ' A' ' 632' ' ' ILE . 3.9 t -57.37 -55.64 19.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 72.2 111.084 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 628' ' ' HIS . . . . . 0.467 ' HA ' ' HB ' ' A' ' 632' ' ' ILE . 12.1 m80 -52.94 -30.3 33.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 74.42 110.824 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 629' ' ' THR . . . . . . . . . . . . . 39.9 m -79.44 -29.75 41.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.25 -0.432 . . . . 74.43 111.129 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 630' ' ' ALA . . . . . 0.65 ' HA ' HD13 ' A' ' 647' ' ' LEU . . . -54.13 -49.87 68.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.267 -0.424 . . . . 71.31 111.089 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 631' ' ' SER . . . . . 0.618 ' C ' HD12 ' A' ' 632' ' ' ILE . 0.5 OUTLIER 171.02 67.58 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 74.44 110.829 -179.775 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 632' ' ' ILE . . . . . 0.684 HD13 ' O ' ' A' ' 627' ' ' VAL . 1.7 mp -118.24 -66.13 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 75.54 111.137 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 633' ' ' ALA . . . . . 0.473 ' N ' HG22 ' A' ' 632' ' ' ILE . . . . . . . . 0 C--N 1.328 -0.336 0 CA-C-O 121.542 0.687 . . . . 43.05 111.118 179.8 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.842 0.267 . . . . 72.24 112.267 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 642' ' ' VAL . . . . . 0.731 HG21 HD11 ' A' ' 647' ' ' LEU . 2.1 p -134.24 131.46 20.65 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.587 0.708 . . . . 75.44 111.11 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 643' ' ' PRO . . . . . 0.558 ' HG3' HG13 ' A' ' 582' ' ' VAL . 54.0 Cg_endo -69.73 128.64 16.35 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.657 2.238 . . . . 63.42 112.366 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -75.65 -19.27 59.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.255 -0.43 . . . . 73.32 110.893 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -70.7 -38.85 73.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 54.21 110.861 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 646' ' ' LEU . . . . . . . . . . . . . 13.3 mt -75.51 -46.05 34.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 72.53 110.903 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 647' ' ' LEU . . . . . 0.731 HD11 HG21 ' A' ' 642' ' ' VAL . 39.4 mt -60.12 -52.1 66.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 74.55 110.912 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -56.4 -48.7 76.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 50.53 110.879 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 36.7 mmm-85 -65.24 -28.41 69.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 72.31 110.872 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 650' ' ' VAL . . . . . 0.629 HG23 ' CG2' ' A' ' 589' ' ' VAL . 0.9 OUTLIER -69.92 -47.01 71.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 74.1 111.108 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 651' ' ' LEU . . . . . 0.429 ' O ' ' HB2' ' A' ' 655' ' ' ALA . 27.5 mt -72.82 -25.75 61.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.173 -0.467 . . . . 52.33 110.885 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -67.12 -52.56 40.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 73.32 111.095 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -68.56 -53.06 25.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 64.5 111.1 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 654' ' ' HIS . . . . . 0.528 ' CE1' HG22 ' A' ' 627' ' ' VAL . 64.0 m170 -54.52 -30.62 54.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 75.54 110.839 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 655' ' ' ALA . . . . . 0.429 ' HB2' ' O ' ' A' ' 651' ' ' LEU . . . -69.79 -46.99 64.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.259 -0.428 . . . . 74.11 111.173 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 66.8 t80 -69.16 -48.98 60.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 73.33 110.963 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 657' ' ' TRP . . . . . . . . . . . . . 21.8 m95 -58.62 -41.23 85.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 74.24 110.896 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 19.9 t -71.25 -30.66 66.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.436 . . . . 64.14 110.812 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 659' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 53.32 110.903 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 581' ' ' SER . . . . . 0.744 ' O ' HG12 ' A' ' 585' ' ' VAL . 1.2 m . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.89 0.376 . . . . 73.14 110.889 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 582' ' ' VAL . . . . . 0.49 HG13 ' HG3' ' A' ' 643' ' ' PRO . 84.8 t -52.94 -37.77 26.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.48 . . . . 71.11 111.132 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -71.99 -33.7 68.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 64.41 111.125 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 584' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -74.78 -56.08 5.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 75.13 110.887 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 585' ' ' VAL . . . . . 0.744 HG12 ' O ' ' A' ' 581' ' ' SER . 2.6 p -54.2 -32.49 23.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 43.34 111.16 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -49.94 -30.36 10.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.483 . . . . 71.0 110.902 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 587' ' ' ALA . . . . . 0.573 ' HB1' ' HA ' ' A' ' 607' ' ' ALA . . . -76.45 -40.64 49.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 71.23 111.117 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 588' ' ' LEU . . . . . 0.482 HD13 ' O ' ' A' ' 588' ' ' LEU . 1.6 tm? -56.5 -50.66 71.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 74.32 110.896 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 589' ' ' VAL . . . . . 0.766 HG21 ' HB3' ' A' ' 646' ' ' LEU . 18.5 t -63.72 -56.72 15.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.473 . . . . 71.54 111.121 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -55.16 -27.7 47.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 75.3 110.815 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 591' ' ' ALA . . . . . 0.413 ' HB2' ' HG3' ' A' ' 606' ' ' ARG . . . -75.21 -45.91 37.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 53.31 111.045 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 592' ' ' VAL . . . . . . . . . . . . . 10.7 p -74.72 -25.92 19.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 51.12 111.169 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 593' ' ' GLU . . . . . 0.652 ' OE2' ' HB2' ' A' ' 653' ' ' ALA . 0.6 OUTLIER -72.8 -42.17 64.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.124 -0.489 . . . . 72.43 110.904 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 51.0 t-80 -84.25 -46.6 11.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 73.05 110.913 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 595' ' ' LEU . . . . . 0.67 HD11 ' CB ' ' A' ' 606' ' ' ARG . 11.0 mt -79.52 -16.06 56.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.207 -0.451 . . . . 53.15 110.875 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 596' ' ' GLY . . . . . . . . . . . . . . . 83.29 167.14 41.07 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.709 -0.758 . . . . 74.54 112.501 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 2.0 p -77.9 -2.25 35.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.843 0.354 . . . . 73.21 111.124 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 598' ' ' GLY . . . . . . . . . . . . . . . -104.23 17.4 47.83 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.771 -0.728 . . . . 52.21 112.483 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 599' ' ' ARG . . . . . 0.679 ' O ' HG23 ' A' ' 603' ' ' VAL . 90.3 mtt180 -135.18 66.32 1.53 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.796 0.332 . . . . 64.12 110.904 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 600' ' ' TRP . . . . . . . . . . . . . 12.3 m0 -60.02 -50.51 73.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 64.12 110.932 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 601' ' ' ARG . . . . . . . . . . . . . 56.7 mtm180 -52.95 -47.36 68.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 64.11 110.875 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 602' ' ' ASP . . . . . 0.582 ' C ' HD13 ' A' ' 595' ' ' LEU . 1.8 m-20 -64.03 -34.41 77.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 74.24 110.812 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 603' ' ' VAL . . . . . 0.679 HG23 ' O ' ' A' ' 599' ' ' ARG . 57.3 t -65.69 -32.62 59.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.277 -0.42 . . . . 71.14 111.118 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 15.6 ttpp -68.92 -48.64 62.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 74.44 110.865 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 605' ' ' MET . . . . . . . . . . . . . 25.8 ptm -73.11 -31.37 64.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 64.34 110.905 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 606' ' ' ARG . . . . . 0.67 ' CB ' HD11 ' A' ' 595' ' ' LEU . 17.6 tpp180 -73.24 -40.69 64.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.226 -0.443 . . . . 74.42 110.909 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 607' ' ' ALA . . . . . 0.573 ' HA ' ' HB1' ' A' ' 587' ' ' ALA . . . -89.97 -69.59 0.71 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 23.11 111.091 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 608' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 71.53 110.868 -179.924 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 616' ' ' TYR . . . . . . . . . . . . . 11.4 p90 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.957 0.408 . . . . 64.25 110.961 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 617' ' ' VAL . . . . . . . . . . . . . 14.9 p -71.56 -33.11 48.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 54.03 111.111 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 618' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -54.86 -51.02 67.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 75.13 110.88 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 619' ' ' LEU . . . . . 0.621 HD13 ' CG1' ' A' ' 603' ' ' VAL . 1.5 pp -71.87 -32.45 67.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 74.24 110.925 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 620' ' ' LYS . . . . . . . . . . . . . 4.9 tmtt? -63.7 -38.85 92.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 75.05 110.92 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -71.78 -41.16 68.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 53.22 110.847 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 9.2 mmtm -55.28 -41.43 72.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 73.51 110.891 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 623' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -68.73 -50.64 49.06 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.246 -0.434 . . . . 71.53 110.961 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -51.71 -54.89 23.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 75.21 110.926 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 15.2 t -61.16 -30.67 70.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.255 -0.43 . . . . 64.52 111.121 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 626' ' ' LEU . . . . . 0.698 HD23 HD23 ' A' ' 647' ' ' LEU . 0.2 OUTLIER -61.53 -49.9 74.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 72.1 110.954 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 627' ' ' VAL . . . . . 0.593 HG22 HG13 ' A' ' 650' ' ' VAL . 91.1 t -58.1 -54.64 29.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 74.14 111.164 179.795 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 628' ' ' HIS . . . . . 0.435 ' HA ' HD13 ' A' ' 632' ' ' ILE . 0.0 OUTLIER -53.61 -27.31 26.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 73.4 110.868 179.931 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 629' ' ' THR . . . . . 0.841 HG21 HG21 ' A' ' 642' ' ' VAL . 48.7 m -78.21 -28.83 48.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 61.22 111.119 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 630' ' ' ALA . . . . . 0.703 ' HA ' HD13 ' A' ' 647' ' ' LEU . . . -53.17 -50.77 63.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 72.14 111.09 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 631' ' ' SER . . . . . 0.454 ' C ' HD12 ' A' ' 632' ' ' ILE . 0.4 OUTLIER 167.73 67.19 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 52.44 110.856 -179.763 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 632' ' ' ILE . . . . . 0.557 HD13 ' O ' ' A' ' 627' ' ' VAL . 1.7 mp -110.59 -66.54 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 64.34 111.104 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 633' ' ' ALA . . . . . 0.469 ' N ' HG22 ' A' ' 632' ' ' ILE . . . . . . . . 0 C--N 1.328 -0.352 0 CA-C-O 121.574 0.702 . . . . 75.22 111.059 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 N--CA 1.466 -0.12 0 CA-C-O 120.911 0.296 . . . . 71.43 112.382 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 642' ' ' VAL . . . . . 0.841 HG21 HG21 ' A' ' 629' ' ' THR . 15.0 t -104.42 133.92 19.95 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.673 0.749 . . . . 71.14 111.138 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 643' ' ' PRO . . . . . 0.49 ' HG3' HG13 ' A' ' 582' ' ' VAL . 53.0 Cg_endo -69.85 128.4 15.89 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.643 2.229 . . . . 63.03 112.261 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 66.2 tt0 -65.27 -17.38 64.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 71.23 110.986 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -68.05 -47.55 68.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 70.53 110.814 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 646' ' ' LEU . . . . . 0.766 ' HB3' HG21 ' A' ' 589' ' ' VAL . 18.5 mt -74.69 -33.45 62.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 62.15 110.902 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 647' ' ' LEU . . . . . 0.703 HD13 ' HA ' ' A' ' 630' ' ' ALA . 94.5 mt -72.5 -52.13 17.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 64.53 110.927 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -61.25 -30.59 70.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 64.54 110.882 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 12.2 mtt-85 -72.42 -45.25 60.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 54.54 110.897 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 650' ' ' VAL . . . . . 0.593 HG13 HG22 ' A' ' 627' ' ' VAL . 0.3 OUTLIER -61.81 -32.5 54.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 71.32 111.094 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -71.31 -42.83 68.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 71.21 110.949 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -54.44 -47.78 72.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 71.44 111.148 179.777 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 653' ' ' ALA . . . . . 0.652 ' HB2' ' OE2' ' A' ' 593' ' ' GLU . . . -75.92 -42.57 48.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 50.34 111.048 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 654' ' ' HIS . . . . . . . . . . . . . 16.2 t-80 -54.52 -45.47 73.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.428 . . . . 64.24 110.852 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -77.36 -46.06 24.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.215 -0.448 . . . . 71.52 111.104 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -54.48 -49.98 68.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.13 -0.486 . . . . 75.3 110.932 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 657' ' ' TRP . . . . . . . . . . . . . 68.7 m95 -70.72 -33.02 70.41 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.112 -0.495 . . . . 74.45 110.923 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 27.3 t -64.28 -32.15 73.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 63.23 110.835 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 659' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.102 -0.499 . . . . 63.42 110.878 -179.989 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.861 0.363 . . . . 55.52 110.897 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 582' ' ' VAL . . . . . 0.762 HG13 ' HG3' ' A' ' 643' ' ' PRO . 96.7 t -51.49 -41.22 26.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 73.33 111.184 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -70.49 -31.47 68.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 75.0 111.1 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 584' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -74.92 -55.65 5.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.256 -0.429 . . . . 63.12 110.878 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 585' ' ' VAL . . . . . . . . . . . . . 92.0 t -54.85 -34.12 29.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 65.52 111.102 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -51.21 -31.45 20.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 53.43 110.888 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 587' ' ' ALA . . . . . . . . . . . . . . . -69.1 -44.89 71.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.488 . . . . 61.42 111.117 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 588' ' ' LEU . . . . . 0.483 ' O ' HG23 ' A' ' 592' ' ' VAL . 0.1 OUTLIER -53.37 -51.22 63.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 72.22 110.927 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 589' ' ' VAL . . . . . 0.454 HG13 ' N ' ' A' ' 590' ' ' GLU . 7.4 p -71.37 -43.66 73.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 75.12 111.105 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 590' ' ' GLU . . . . . 0.454 ' N ' HG13 ' A' ' 589' ' ' VAL . 50.1 mt-10 -52.76 -47.82 67.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 73.42 110.919 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 591' ' ' ALA . . . . . 0.599 ' HB3' HG13 ' A' ' 603' ' ' VAL . . . -68.84 -33.71 74.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 65.5 111.124 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 592' ' ' VAL . . . . . 0.58 HG11 ' NE2' ' A' ' 654' ' ' HIS . 40.6 t -74.77 -26.06 19.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 72.04 111.146 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.5 -40.04 64.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 65.42 110.899 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 63.1 m170 -85.93 -46.89 10.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.441 . . . . 71.3 110.922 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 595' ' ' LEU . . . . . 0.573 HD22 ' HB3' ' A' ' 602' ' ' ASP . 9.6 mt -79.76 -24.02 41.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 74.33 110.937 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 596' ' ' GLY . . . . . 0.409 ' CA ' ' O ' ' A' ' 592' ' ' VAL . . . 89.55 -177.43 43.74 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.722 -0.751 . . . . 61.4 112.529 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -92.82 21.0 5.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.854 0.359 . . . . 73.22 111.205 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 598' ' ' GLY . . . . . . . . . . . . . . . -125.87 11.87 7.35 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.761 -0.733 . . . . 32.21 112.52 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 599' ' ' ARG . . . . . 0.727 ' O ' HG23 ' A' ' 603' ' ' VAL . 46.9 mtt-85 -135.21 70.41 1.44 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.827 0.346 . . . . 75.22 110.926 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 600' ' ' TRP . . . . . . . . . . . . . 5.2 m0 -63.14 -49.32 74.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 75.41 110.92 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 601' ' ' ARG . . . . . . . . . . . . . 34.7 mtt-85 -52.78 -40.03 62.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 73.14 110.908 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 602' ' ' ASP . . . . . 0.573 ' HB3' HD22 ' A' ' 595' ' ' LEU . 2.0 m-20 -72.12 -31.55 66.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 75.45 110.884 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 603' ' ' VAL . . . . . 0.727 HG23 ' O ' ' A' ' 599' ' ' ARG . 75.0 t -64.34 -38.66 83.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 75.32 111.106 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 37.9 tttp -72.09 -42.69 65.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 73.32 110.915 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 605' ' ' MET . . . . . . . . . . . . . 23.4 mtp -70.97 -31.58 68.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 74.21 110.843 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 606' ' ' ARG . . . . . . . . . . . . . 13.1 ttm-85 -81.54 -40.34 23.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 61.22 110.897 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -84.56 -70.26 0.59 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 43.44 111.042 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 608' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.277 -0.419 . . . . 74.42 110.836 -179.854 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 616' ' ' TYR . . . . . 0.444 ' HB2' HD21 ' A' ' 619' ' ' LEU . 21.0 p90 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.962 0.41 . . . . 74.43 110.996 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 617' ' ' VAL . . . . . . . . . . . . . 14.5 p -71.67 -33.63 49.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.107 -0.497 . . . . 72.33 111.102 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 618' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.02 -51.08 69.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 75.31 110.845 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 619' ' ' LEU . . . . . 0.444 HD21 ' HB2' ' A' ' 616' ' ' TYR . 1.3 pp -68.88 -23.29 64.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.174 -0.466 . . . . 62.54 110.895 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 620' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.11 -39.52 82.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.452 . . . . 72.51 110.935 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -71.55 -49.75 37.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 74.3 110.911 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 1.4 tppp? -58.93 -27.78 65.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 71.44 110.936 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 623' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -74.32 -54.45 7.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 61.32 110.928 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.09 -40.67 46.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.258 -0.428 . . . . 74.02 110.877 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 9.4 t -75.71 -37.66 59.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 73.23 111.119 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 626' ' ' LEU . . . . . . . . . . . . . 1.6 mt -56.53 -55.97 27.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.43 . . . . 61.4 110.916 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 627' ' ' VAL . . . . . 0.692 ' O ' HD13 ' A' ' 632' ' ' ILE . 14.2 t -60.81 -55.69 22.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 73.22 111.114 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 628' ' ' HIS . . . . . 0.457 ' HA ' ' HB ' ' A' ' 632' ' ' ILE . 1.2 m80 -54.07 -28.69 40.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 73.31 110.831 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 629' ' ' THR . . . . . 0.493 HG21 HG21 ' A' ' 642' ' ' VAL . 21.5 m -79.8 -29.27 40.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 72.23 111.14 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 630' ' ' ALA . . . . . 0.638 ' HA ' HD13 ' A' ' 647' ' ' LEU . . . -52.85 -49.82 64.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 62.41 111.074 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 631' ' ' SER . . . . . 0.7 ' C ' HD12 ' A' ' 632' ' ' ILE . 0.4 OUTLIER 168.26 66.85 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 63.33 110.779 -179.809 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 632' ' ' ILE . . . . . 0.7 HD12 ' C ' ' A' ' 631' ' ' SER . 2.4 mp -128.84 -74.51 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.096 -0.502 . . . . 60.52 111.169 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 633' ' ' ALA . . . . . 0.471 ' N ' HG22 ' A' ' 632' ' ' ILE . . . . . . . . 0 C--N 1.328 -0.34 0 CA-C-O 121.617 0.722 . . . . 64.32 111.05 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.163 0 CA-C-O 120.735 0.223 . . . . 72.14 112.375 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 642' ' ' VAL . . . . . 0.493 HG21 HG21 ' A' ' 629' ' ' THR . 4.8 t -101.83 132.55 21.52 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.64 0.733 . . . . 53.2 111.137 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 643' ' ' PRO . . . . . 0.762 ' HG3' HG13 ' A' ' 582' ' ' VAL . 53.5 Cg_endo -69.78 128.51 16.11 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.652 2.235 . . . . 74.05 112.324 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -64.54 -23.04 67.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 73.12 110.933 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -59.29 -45.88 90.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 74.54 110.907 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 646' ' ' LEU . . . . . . . . . . . . . 28.5 mt -73.26 -53.09 11.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 61.54 110.881 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 647' ' ' LEU . . . . . 0.638 HD13 ' HA ' ' A' ' 630' ' ' ALA . 42.3 mt -53.22 -52.23 59.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.141 -0.481 . . . . 72.21 110.893 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 38.7 t0 -56.45 -40.86 75.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 64.23 110.944 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -67.37 -36.12 80.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.107 -0.497 . . . . 74.21 110.913 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 650' ' ' VAL . . . . . 0.689 HG13 ' CE1' ' A' ' 654' ' ' HIS . 25.1 t -64.89 -55.03 22.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 73.11 111.147 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 651' ' ' LEU . . . . . 0.45 ' CD1' ' HB1' ' A' ' 630' ' ' ALA . 30.8 mt -62.79 -24.3 67.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 75.34 110.944 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -68.75 -52.66 28.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 72.23 111.017 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -76.22 -50.4 14.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 34.22 111.092 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 654' ' ' HIS . . . . . 0.689 ' CE1' HG13 ' A' ' 650' ' ' VAL . 11.8 m170 -52.64 -31.32 36.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.435 . . . . 72.21 110.879 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -76.01 -46.86 27.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 73.11 111.056 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 93.8 t80 -64.86 -38.13 89.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 74.51 110.932 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 657' ' ' TRP . . . . . . . . . . . . . 19.5 m95 -70.11 -39.29 75.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.128 -0.487 . . . . 71.34 110.938 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 2.0 t -57.02 -50.62 72.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.2 -0.454 . . . . 73.2 110.885 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 659' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.15 -0.477 . . . . 73.44 110.946 -179.977 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 6.5 m . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.85 0.357 . . . . 75.13 110.898 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 582' ' ' VAL . . . . . 0.699 HG13 ' HG3' ' A' ' 643' ' ' PRO . 99.0 t -51.22 -38.52 19.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 75.23 111.103 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -69.55 -36.96 76.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.489 . . . . 64.33 111.096 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 584' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -71.42 -51.18 25.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.263 -0.426 . . . . 52.23 110.903 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 585' ' ' VAL . . . . . . . . . . . . . 70.3 t -53.96 -34.17 25.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 71.41 111.095 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -52.01 -38.05 55.47 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.165 -0.47 . . . . 73.3 110.852 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 587' ' ' ALA . . . . . . . . . . . . . . . -62.67 -32.4 73.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 72.41 111.151 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 588' ' ' LEU . . . . . 0.431 HD21 ' HB2' ' A' ' 619' ' ' LEU . 1.3 tm? -71.52 -55.53 7.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 75.14 110.853 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 589' ' ' VAL . . . . . 0.477 HG13 ' N ' ' A' ' 590' ' ' GLU . 5.7 p -63.31 -46.36 95.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 73.24 111.136 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 590' ' ' GLU . . . . . 0.477 ' N ' HG13 ' A' ' 589' ' ' VAL . 61.9 mt-10 -52.59 -48.14 66.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 64.51 110.882 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 591' ' ' ALA . . . . . 0.582 ' HB3' HG13 ' A' ' 603' ' ' VAL . . . -67.42 -35.29 78.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 61.05 111.066 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 592' ' ' VAL . . . . . 0.407 ' O ' ' CA ' ' A' ' 596' ' ' GLY . 12.3 t -70.3 -27.42 31.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 73.14 111.122 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 593' ' ' GLU . . . . . 0.478 ' HG2' ' HB2' ' A' ' 653' ' ' ALA . 1.6 mt-10 -75.02 -36.09 61.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 71.15 110.906 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -86.09 -48.7 8.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 65.03 110.875 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 595' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -80.39 -24.52 39.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 75.34 110.961 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 596' ' ' GLY . . . . . 0.407 ' CA ' ' O ' ' A' ' 592' ' ' VAL . . . 88.71 -162.27 31.46 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.722 -0.751 . . . . 44.14 112.48 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 13.8 p -107.23 26.71 9.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.85 0.357 . . . . 43.33 111.164 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 598' ' ' GLY . . . . . . . . . . . . . . . -131.04 0.05 5.23 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.841 -0.695 . . . . 42.32 112.542 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 599' ' ' ARG . . . . . 0.62 ' O ' HG23 ' A' ' 603' ' ' VAL . 54.2 mtm-85 -125.43 80.31 1.88 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.859 0.361 . . . . 73.01 110.863 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 600' ' ' TRP . . . . . 0.491 ' O ' HD21 ' A' ' 619' ' ' LEU . 9.4 m0 -67.89 -50.35 56.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 74.12 111.002 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 601' ' ' ARG . . . . . . . . . . . . . 30.3 mmm-85 -53.1 -48.43 67.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 75.52 110.871 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 602' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -61.53 -38.7 88.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 72.42 110.904 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 603' ' ' VAL . . . . . 0.698 HG11 HD13 ' A' ' 619' ' ' LEU . 45.8 t -66.58 -31.53 53.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 72.11 111.134 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 32.0 tptt -64.75 -47.05 79.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 62.45 110.839 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 605' ' ' MET . . . . . . . . . . . . . 9.8 ptm -72.82 -31.52 64.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 74.43 110.867 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 606' ' ' ARG . . . . . . . . . . . . . 7.3 tpm_? -73.78 -40.9 63.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 64.31 110.886 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -90.01 -70.34 0.67 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 75.41 111.173 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 608' ' ' PHE . . . . . . . . . . . . . 43.5 m-85 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 73.1 110.792 -179.897 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 616' ' ' TYR . . . . . . . . . . . . . 17.4 p90 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.925 0.393 . . . . 71.53 110.916 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 617' ' ' VAL . . . . . . . . . . . . . 10.7 p -51.37 -33.3 14.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.094 -0.503 . . . . 72.24 111.173 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 618' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.2 -50.56 69.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.486 . . . . 72.35 110.837 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 619' ' ' LEU . . . . . 0.698 HD13 HG11 ' A' ' 603' ' ' VAL . 0.8 OUTLIER -69.26 -25.92 64.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 72.34 110.922 -179.926 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 620' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.73 -43.39 72.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 73.52 110.836 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -71.71 -30.01 65.17 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.313 -0.403 . . . . 74.53 110.899 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.88 -45.27 86.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 72.34 110.836 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 623' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -67.11 -46.91 72.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.277 -0.419 . . . . 72.43 110.949 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 21.0 tttt -50.8 -49.93 57.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 73.22 110.872 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 13.8 t -71.29 -28.63 64.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 61.42 111.122 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 626' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.85 -55.8 28.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 75.22 110.932 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 627' ' ' VAL . . . . . 0.736 HG23 HD12 ' A' ' 651' ' ' LEU . 4.8 p -61.63 -42.04 92.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 63.14 111.079 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 628' ' ' HIS . . . . . 0.418 ' HA ' ' HB ' ' A' ' 632' ' ' ILE . 5.1 m-70 -62.15 -26.77 68.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 71.02 110.891 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 629' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -79.44 -28.85 41.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 35.32 111.144 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 630' ' ' ALA . . . . . 0.779 ' HA ' HD13 ' A' ' 647' ' ' LEU . . . -52.67 -48.72 66.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 73.11 111.133 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 631' ' ' SER . . . . . 0.736 ' C ' HD12 ' A' ' 632' ' ' ILE . 14.6 t 176.29 66.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 74.11 110.861 -179.823 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 632' ' ' ILE . . . . . 0.736 HD12 ' C ' ' A' ' 631' ' ' SER . 2.7 mp -135.04 -72.68 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.083 -0.508 . . . . 73.23 111.103 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 633' ' ' ALA . . . . . 0.433 ' N ' HG22 ' A' ' 632' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-O 121.528 0.68 . . . . 71.24 111.105 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.862 0.276 . . . . 63.51 112.371 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 642' ' ' VAL . . . . . 0.466 ' CG1' HD11 ' A' ' 647' ' ' LEU . 3.1 t -90.28 132.58 35.32 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.619 0.723 . . . . 51.31 111.124 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 643' ' ' PRO . . . . . 0.699 ' HG3' HG13 ' A' ' 582' ' ' VAL . 53.5 Cg_endo -69.87 128.86 16.53 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.67 2.247 . . . . 72.44 112.296 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 20.5 tt0 -68.82 -24.46 64.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 50.34 110.903 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -62.64 -47.7 82.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 75.51 110.873 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 646' ' ' LEU . . . . . 0.72 ' O ' HG23 ' A' ' 650' ' ' VAL . 12.1 mt -71.0 -51.6 24.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 71.51 110.976 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 647' ' ' LEU . . . . . 0.779 HD13 ' HA ' ' A' ' 630' ' ' ALA . 96.5 mt -55.37 -37.1 67.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 75.43 110.942 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -61.93 -49.46 76.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 72.53 110.845 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 11.6 mmp_? -68.64 -31.76 71.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 60.44 110.866 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 650' ' ' VAL . . . . . 0.72 HG23 ' O ' ' A' ' 646' ' ' LEU . 77.5 t -61.48 -48.83 87.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 74.14 111.15 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 651' ' ' LEU . . . . . 0.736 HD12 HG23 ' A' ' 627' ' ' VAL . 7.9 mp -71.02 -26.58 63.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.104 -0.498 . . . . 45.52 110.846 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -68.72 -45.9 70.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 74.1 111.086 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 653' ' ' ALA . . . . . 0.478 ' HB2' ' HG2' ' A' ' 593' ' ' GLU . . . -75.83 -45.98 32.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 63.4 111.068 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 654' ' ' HIS . . . . . . . . . . . . . 26.3 t-80 -53.82 -43.61 69.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.446 . . . . 53.33 110.841 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -77.43 -46.94 21.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 74.25 111.077 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 81.3 t80 -54.22 -49.73 68.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 72.55 110.984 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 657' ' ' TRP . . . . . . . . . . . . . 76.6 m95 -70.25 -32.36 70.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 73.13 110.976 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 30.5 t -69.34 -35.2 75.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 73.02 110.908 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 659' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 72.34 110.946 -179.991 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 561' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.161 0 CA-C-O 120.858 0.274 . . . . 43.11 112.326 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 562' ' ' VAL . . . . . . . . . . . . . 7.5 p -175.32 125.83 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 72.23 111.12 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 563' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -124.02 174.69 7.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 73.34 110.87 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -122.11 172.5 8.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 72.14 110.912 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 565' ' ' LYS . . . . . . . . . . . . . 16.9 mmtt -142.94 157.62 44.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 71.32 110.82 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 98.6 p -123.21 148.63 45.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 74.52 110.881 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 567' ' ' LYS . . . . . . . . . . . . . 47.1 mtpt -135.34 -177.88 4.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 72.22 110.936 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 18.8 mmt85 -93.99 153.08 18.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 73.21 110.884 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 2.5 t -117.12 151.84 35.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 72.05 110.85 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -81.89 168.07 18.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.483 . . . . 53.1 110.819 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 9.6 tp -127.92 -64.72 0.95 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.067 -0.515 . . . . 74.05 110.88 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 69.5 m -128.35 171.55 11.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.428 . . . . 70.22 110.857 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 573' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -174.5 145.03 0.92 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 62.24 110.938 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 574' ' ' ARG . . . . . . . . . . . . . 23.4 mmt180 -141.71 136.0 30.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 73.55 110.845 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 46.2 ttp180 -174.05 146.64 1.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 71.34 110.911 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 576' ' ' ILE . . . . . 0.564 HG23 ' HG2' ' A' ' 577' ' ' ARG . 6.4 tt -117.77 -34.38 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 70.54 111.128 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 577' ' ' ARG . . . . . 0.564 ' HG2' HG23 ' A' ' 576' ' ' ILE . 17.2 mmm180 -97.15 -169.55 1.88 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 73.21 110.847 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 578' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -114.09 158.17 40.17 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.525 0.679 . . . . 73.44 110.849 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 156.92 62.08 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.716 2.277 . . . . 64.22 112.325 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 580' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -91.94 144.86 25.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 73.12 110.899 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 581' ' ' SER . . . . . 0.782 ' O ' HG12 ' A' ' 585' ' ' VAL . 1.4 m -72.23 157.73 37.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 70.41 110.894 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 582' ' ' VAL . . . . . . . . . . . . . 15.2 m -51.49 -38.72 21.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 72.52 111.13 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -69.58 -38.23 77.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 75.13 111.127 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 584' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -71.31 -55.25 8.41 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.157 -0.474 . . . . 70.01 110.9 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 585' ' ' VAL . . . . . 0.782 HG12 ' O ' ' A' ' 581' ' ' SER . 2.9 p -60.23 -33.31 53.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.15 -0.477 . . . . 73.54 111.076 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -50.91 -30.46 14.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 61.12 110.845 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 587' ' ' ALA . . . . . . . . . . . . . . . -78.85 -37.46 40.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 44.24 111.075 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 588' ' ' LEU . . . . . 0.457 ' O ' HG23 ' A' ' 592' ' ' VAL . 0.2 OUTLIER -56.54 -49.6 74.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 73.43 110.882 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 589' ' ' VAL . . . . . 0.512 HG22 HG22 ' A' ' 650' ' ' VAL . 25.4 t -69.37 -55.03 16.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 75.12 111.12 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 75.1 mt-10 -50.74 -43.0 57.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.223 -0.444 . . . . 74.35 110.896 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 591' ' ' ALA . . . . . 0.651 ' HB3' HG13 ' A' ' 603' ' ' VAL . . . -68.33 -40.11 81.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.47 . . . . 31.13 111.124 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 592' ' ' VAL . . . . . 0.465 HG11 ' CZ3' ' A' ' 623' ' ' TRP . 24.3 t -69.57 -26.78 31.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.259 -0.428 . . . . 73.34 111.127 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -73.91 -36.2 64.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 62.32 110.814 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 68.2 m80 -86.28 -47.61 9.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.188 -0.46 . . . . 72.21 110.855 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 595' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -80.07 -24.12 40.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.426 . . . . 75.45 110.908 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 596' ' ' GLY . . . . . . . . . . . . . . . 82.41 -175.31 53.57 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.717 -0.754 . . . . 72.55 112.461 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 7.2 p -93.57 24.91 3.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.815 0.34 . . . . 75.21 111.18 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 598' ' ' GLY . . . . . . . . . . . . . . . -122.91 -11.58 5.28 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.675 -0.774 . . . . 52.44 112.48 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 599' ' ' ARG . . . . . 0.513 ' O ' HG23 ' A' ' 603' ' ' VAL . 39.4 mtt-85 -125.61 76.87 1.61 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.783 0.325 . . . . 64.31 110.892 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 600' ' ' TRP . . . . . . . . . . . . . 4.6 m0 -69.42 -42.8 74.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 72.41 110.889 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 601' ' ' ARG . . . . . . . . . . . . . 9.9 ptm180 -52.89 -44.04 66.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.284 -0.416 . . . . 70.14 110.898 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 602' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -67.57 -38.38 83.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 62.41 110.87 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 603' ' ' VAL . . . . . 0.651 HG13 ' HB3' ' A' ' 591' ' ' ALA . 55.8 t -58.98 -38.88 76.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 71.13 111.197 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 28.7 tptt -72.06 -36.51 69.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 73.2 110.864 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 605' ' ' MET . . . . . 0.491 ' HA ' ' HB3' ' A' ' 611' ' ' ALA . 23.6 mtt -72.82 -34.86 67.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.274 -0.421 . . . . 61.12 110.925 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 606' ' ' ARG . . . . . . . . . . . . . 39.0 ttm-85 -81.09 -40.16 24.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.268 -0.423 . . . . 73.1 110.97 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -79.5 -67.13 0.79 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 71.54 111.074 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 608' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 -78.87 125.76 29.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.191 -0.459 . . . . 61.4 110.88 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -66.36 -33.85 76.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 72.43 110.842 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 28.0 p30 -101.59 66.81 1.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 73.55 110.896 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 611' ' ' ALA . . . . . 0.491 ' HB3' ' HA ' ' A' ' 605' ' ' MET . . . -110.32 30.34 6.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 75.55 111.078 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -52.75 -67.56 0.24 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.224 -0.444 . . . . 72.25 110.887 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 613' ' ' HIS . . . . . . . . . . . . . 70.9 m-70 -121.27 25.17 9.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 71.24 110.911 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 614' ' ' ARG . . . . . . . . . . . . . 9.4 mmp_? -72.47 156.4 39.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 72.35 110.881 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 615' ' ' THR . . . . . 0.603 ' OG1' HG12 ' A' ' 617' ' ' VAL . 9.2 t -74.41 166.13 24.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 75.32 111.109 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 616' ' ' TYR . . . . . . . . . . . . . 22.5 p90 -107.48 -17.84 14.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 73.42 110.881 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 617' ' ' VAL . . . . . 0.603 HG12 ' OG1' ' A' ' 615' ' ' THR . 11.1 p -70.18 -33.68 55.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 71.22 111.145 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 618' ' ' ASP . . . . . 0.436 ' HB2' HG23 ' A' ' 615' ' ' THR . 0.7 OUTLIER -51.98 -50.59 60.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 75.35 110.903 179.936 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 619' ' ' LEU . . . . . 0.599 HD13 HG11 ' A' ' 603' ' ' VAL . 1.1 pp -69.95 -25.77 63.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 74.02 110.95 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 620' ' ' LYS . . . . . . . . . . . . . 37.9 tptt -70.24 -37.0 74.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 74.0 110.934 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -71.71 -44.3 64.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 63.11 110.83 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.14 -39.6 82.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 75.1 110.941 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 623' ' ' TRP . . . . . 0.465 ' CZ3' HG11 ' A' ' 592' ' ' VAL . 15.3 t-105 -69.86 -46.27 65.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 75.03 110.93 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.65 -48.5 49.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.265 -0.425 . . . . 71.14 110.901 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 11.2 t -72.58 -28.2 62.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.25 -0.432 . . . . 74.33 111.19 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 626' ' ' LEU . . . . . 0.679 HD22 HG21 ' A' ' 650' ' ' VAL . 0.4 OUTLIER -63.86 -55.58 21.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 65.25 110.887 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 627' ' ' VAL . . . . . 0.649 ' O ' HD13 ' A' ' 632' ' ' ILE . 4.7 p -59.28 -44.97 93.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 74.21 111.165 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 628' ' ' HIS . . . . . 0.44 ' N ' HG13 ' A' ' 627' ' ' VAL . 1.1 m-70 -60.5 -27.36 67.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 73.43 110.799 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 629' ' ' THR . . . . . . . . . . . . . 10.7 m -76.06 -29.43 58.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 71.15 111.107 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 630' ' ' ALA . . . . . 0.653 ' HA ' HD13 ' A' ' 647' ' ' LEU . . . -53.13 -49.29 66.85 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.253 -0.43 . . . . 74.23 111.143 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 631' ' ' SER . . . . . 0.727 ' C ' HD12 ' A' ' 632' ' ' ILE . 0.4 OUTLIER 170.28 68.79 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 70.42 110.831 -179.841 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 632' ' ' ILE . . . . . 0.727 HD12 ' C ' ' A' ' 631' ' ' SER . 2.5 mp -130.57 -75.84 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 73.44 111.116 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 633' ' ' ALA . . . . . 0.588 ' HB3' ' HB2' ' A' ' 636' ' ' GLN . . . -103.79 135.22 19.39 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.561 0.696 . . . . 63.04 111.152 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 634' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -40.04 5.91 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.712 2.274 . . . . 64.1 112.357 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 635' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -77.79 -13.34 59.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 72.41 110.919 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 636' ' ' GLN . . . . . 0.588 ' HB2' ' HB3' ' A' ' 633' ' ' ALA . 36.7 mm-40 -80.49 -0.97 39.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 53.45 110.911 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 637' ' ' ARG . . . . . . . . . . . . . 13.7 ptt180 -61.85 114.69 3.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.46 . . . . 74.04 110.845 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 638' ' ' ARG . . . . . . . . . . . . . 4.9 mtm180 -64.92 -14.66 60.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 73.2 110.926 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 639' ' ' GLY . . . . . . . . . . . . . . . 82.94 -54.6 4.98 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.727 -0.749 . . . . 32.15 112.458 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 640' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -52.31 154.4 4.3 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.7 0.762 . . . . 74.31 110.873 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 121.83 8.52 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.665 2.243 . . . . 73.44 112.374 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 642' ' ' VAL . . . . . 0.718 HG21 HD11 ' A' ' 647' ' ' LEU . 13.6 m -121.01 140.11 30.38 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.618 0.723 . . . . 71.32 111.081 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 128.88 16.7 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.617 2.211 . . . . 50.41 112.389 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -63.19 -16.83 61.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 74.43 110.897 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -70.23 -39.19 75.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.247 -0.433 . . . . 61.24 110.865 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 646' ' ' LEU . . . . . 0.66 ' O ' HG23 ' A' ' 650' ' ' VAL . 53.4 mt -75.19 -52.17 11.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 72.44 110.892 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 647' ' ' LEU . . . . . 0.718 HD11 HG21 ' A' ' 642' ' ' VAL . 47.3 mt -51.54 -34.54 36.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 72.1 110.969 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.96 -46.71 56.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 62.34 110.83 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 36.7 mmt-85 -65.27 -35.66 81.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 74.5 110.884 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 650' ' ' VAL . . . . . 0.679 HG21 HD22 ' A' ' 626' ' ' LEU . 97.0 t -64.07 -51.88 63.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 72.21 111.116 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 651' ' ' LEU . . . . . 0.7 HD21 HD11 ' A' ' 632' ' ' ILE . 12.7 mt -61.69 -26.54 68.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 72.31 110.887 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -66.17 -49.32 67.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 54.54 111.153 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -74.12 -43.81 56.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 73.53 111.152 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 654' ' ' HIS . . . . . 0.531 ' CG ' HG21 ' A' ' 627' ' ' VAL . 26.8 t-80 -57.52 -42.91 83.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 64.23 110.84 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 655' ' ' ALA . . . . . 0.533 ' O ' HG12 ' A' ' 666' ' ' VAL . . . -76.94 -46.82 22.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 64.35 111.101 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -56.48 -49.61 74.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.275 -0.42 . . . . 74.22 110.963 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 657' ' ' TRP . . . . . . . . . . . . . 72.1 m95 -70.58 -30.34 67.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.115 -0.493 . . . . 75.54 110.968 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 9.0 t -59.61 -36.41 76.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.224 -0.444 . . . . 74.31 110.86 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 659' ' ' GLN . . . . . 0.753 ' HB2' HG11 ' A' ' 666' ' ' VAL . 42.7 tt0 -56.99 -25.93 59.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 72.14 110.977 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -69.13 -38.96 79.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 72.33 110.92 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 23.8 mm-40 -100.4 -74.49 0.6 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.434 . . . . 71.32 110.974 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 662' ' ' GLY . . . . . . . . . . . . . . . -100.69 -151.88 25.65 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.762 -0.733 . . . . 73.2 112.538 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 31.2 tttp -166.41 119.89 1.08 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.709 0.29 . . . . 72.54 110.963 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 42.0 mm-40 -136.35 -52.0 0.71 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 75.11 110.913 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 665' ' ' HIS . . . . . . . . . . . . . 4.7 t-80 -174.81 102.76 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 73.33 110.843 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 666' ' ' VAL . . . . . 0.753 HG11 ' HB2' ' A' ' 659' ' ' GLN . 28.5 m -109.13 176.3 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 74.3 111.162 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -130.72 160.54 65.93 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.636 0.731 . . . . 73.34 110.879 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 668' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 84.69 0.65 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.623 2.215 . . . . 74.43 112.337 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 669' ' ' LEU . . . . . . . . . . . . . 5.7 tp -161.53 158.01 25.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 60.44 110.85 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 670' ' ' LYS . . . . . . . . . . . . . 32.7 mtmm -146.42 159.69 43.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 63.14 110.949 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 671' ' ' ILE . . . . . . . . . . . . . 13.9 pt -148.91 -177.36 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 63.3 111.132 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -150.6 176.86 10.59 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.183 -0.462 . . . . 54.21 110.926 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 673' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -150.8 165.82 32.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 54.34 110.904 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -174.3 148.18 1.25 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 75.52 111.083 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 13.5 ptmt -109.54 173.98 6.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.469 . . . . 75.42 110.85 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . -124.4 -175.24 3.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 54.33 111.097 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 46.1 tp60 -140.54 126.56 19.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 70.25 110.921 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 678' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.29 106.71 7.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 61.52 110.871 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 679' ' ' VAL . . . . . . . . . . . . . 7.5 p -107.71 137.19 40.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 72.52 111.171 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 680' ' ' GLY . . . . . . . . . . . . . . . -107.83 -125.36 5.29 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.84 -0.695 . . . . 74.52 112.437 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 681' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-O 120.72 0.295 . . . . 64.23 111.035 -179.951 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 561' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 N--CA 1.465 -0.17 0 CA-C-O 120.864 0.277 . . . . 51.22 112.341 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 562' ' ' VAL . . . . . . . . . . . . . 7.3 p -173.13 124.88 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.167 -0.469 . . . . 73.34 111.061 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 563' ' ' ASN . . . . . . . . . . . . . 9.3 p-10 -170.57 143.05 2.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 75.53 110.864 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 4.5 pp0? -123.2 173.76 7.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.161 -0.472 . . . . 73.32 110.905 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 565' ' ' LYS . . . . . . . . . . . . . 51.5 mmtt -150.03 147.74 28.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 74.44 110.868 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 68.0 m -127.1 147.87 50.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 72.31 110.86 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 567' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.67 130.11 13.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.5 . . . . 75.34 110.851 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 27.5 ptt180 -174.02 140.94 0.74 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 71.52 110.883 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 2.8 m -116.6 127.46 54.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.484 . . . . 71.25 110.878 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -152.77 -176.78 5.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.11 -0.495 . . . . 65.13 110.873 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 7.0 tp 62.97 34.32 14.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 71.34 110.964 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 7.2 m -137.11 91.78 2.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 62.4 110.895 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 573' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.72 125.53 23.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.157 -0.474 . . . . 74.5 110.883 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 574' ' ' ARG . . . . . . . . . . . . . 12.1 ttt180 -178.6 -177.43 0.53 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 75.34 110.868 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 90.4 mtt180 -77.61 60.4 2.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 74.13 110.874 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 576' ' ' ILE . . . . . . . . . . . . . 4.8 tt -112.51 151.28 14.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.158 -0.474 . . . . 75.44 111.176 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 5.5 tpp85 -51.93 161.06 0.62 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 72.51 110.868 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 578' ' ' ARG . . . . . . . . . . . . . 2.8 ptt180 -113.51 157.45 41.32 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.665 0.745 . . . . 55.41 110.86 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 93.86 0.52 Allowed 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 122.692 2.261 . . . . 74.13 112.383 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 580' ' ' PHE . . . . . . . . . . . . . 8.7 p90 -92.68 139.6 30.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.43 . . . . 75.45 110.903 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 9.3 m -109.51 -179.51 3.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.125 -0.489 . . . . 71.22 110.839 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 582' ' ' VAL . . . . . . . . . . . . . 92.2 t -54.46 -38.14 40.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 75.2 111.167 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -69.31 -47.57 64.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 52.44 111.102 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 584' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -63.2 -54.8 31.83 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.242 -0.436 . . . . 72.22 110.893 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 585' ' ' VAL . . . . . 0.604 ' O ' HG12 ' A' ' 589' ' ' VAL . 59.7 t -57.53 -34.31 46.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 75.0 111.084 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 586' ' ' GLU . . . . . 0.45 ' HG2' HD21 ' A' ' 646' ' ' LEU . 7.2 mt-10 -59.96 -42.39 93.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 74.22 110.878 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 587' ' ' ALA . . . . . . . . . . . . . . . -69.05 -33.93 74.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 54.23 111.169 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 588' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.42 -55.13 12.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 53.14 110.948 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 589' ' ' VAL . . . . . 0.973 HG11 HD22 ' A' ' 646' ' ' LEU . 4.7 p -62.33 -47.63 92.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 75.11 111.124 179.789 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 590' ' ' GLU . . . . . 0.49 ' N ' HG13 ' A' ' 589' ' ' VAL . 95.6 mt-10 -59.18 -29.07 67.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 72.33 110.831 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 591' ' ' ALA . . . . . 0.62 ' HB3' HG13 ' A' ' 603' ' ' VAL . . . -74.44 -43.53 55.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 63.24 111.03 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 592' ' ' VAL . . . . . 0.444 HG23 ' HA ' ' A' ' 597' ' ' THR . 7.3 p -76.28 -25.92 16.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.279 -0.419 . . . . 72.53 111.181 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 593' ' ' GLU . . . . . 0.526 ' OE1' ' HB2' ' A' ' 653' ' ' ALA . 0.2 OUTLIER -73.02 -41.64 64.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.131 -0.486 . . . . 73.11 110.875 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 14.4 t60 -84.36 -46.86 11.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 72.34 110.869 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 595' ' ' LEU . . . . . 0.583 HD11 ' CB ' ' A' ' 606' ' ' ARG . 12.5 mt -79.74 -17.57 53.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 71.35 110.869 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 596' ' ' GLY . . . . . . . . . . . . . . . 85.12 164.61 38.93 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.797 -0.716 . . . . 74.33 112.49 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 597' ' ' THR . . . . . 0.444 ' HA ' HG23 ' A' ' 592' ' ' VAL . 0.7 OUTLIER -74.47 -5.73 44.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.839 0.352 . . . . 62.3 111.119 -179.88 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 598' ' ' GLY . . . . . . . . . . . . . . . -101.34 20.1 48.39 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.782 -0.723 . . . . 71.21 112.476 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 599' ' ' ARG . . . . . 0.736 ' O ' HG23 ' A' ' 603' ' ' VAL . 8.0 mtp180 -139.75 64.05 1.47 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.824 0.345 . . . . 73.45 110.885 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 600' ' ' TRP . . . . . . . . . . . . . 16.5 m0 -60.72 -50.26 74.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 72.22 110.876 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 601' ' ' ARG . . . . . . . . . . . . . 25.8 mmm-85 -53.08 -43.28 66.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 72.31 110.873 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 602' ' ' ASP . . . . . 0.548 ' C ' HD13 ' A' ' 595' ' ' LEU . 1.9 m-20 -67.83 -31.05 70.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 73.21 110.943 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 603' ' ' VAL . . . . . 0.736 HG23 ' O ' ' A' ' 599' ' ' ARG . 70.5 t -66.47 -34.64 71.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 75.25 111.148 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 16.4 tptp -71.97 -44.64 63.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 71.45 110.87 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 605' ' ' MET . . . . . . . . . . . . . 23.0 mmm -72.92 -31.54 64.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.214 -0.448 . . . . 55.43 110.845 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 606' ' ' ARG . . . . . 0.583 ' CB ' HD11 ' A' ' 595' ' ' LEU . 7.3 ttm-85 -77.71 -40.64 40.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 75.34 110.833 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -86.92 -70.84 0.59 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 74.4 111.068 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 608' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -71.32 127.39 32.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 75.42 110.882 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -70.66 -33.97 71.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.067 -0.515 . . . . 54.55 110.892 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 53.1 t-20 -102.44 73.89 1.35 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 74.03 110.884 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 611' ' ' ALA . . . . . . . . . . . . . . . -121.35 59.98 0.95 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 65.41 111.091 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -89.07 -72.53 0.54 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 50.31 110.801 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 613' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -111.36 27.61 9.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.267 -0.424 . . . . 74.44 110.84 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 614' ' ' ARG . . . . . . . . . . . . . 18.1 tpt180 -89.8 156.28 18.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 63.15 110.858 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 615' ' ' THR . . . . . 0.532 ' OG1' HG12 ' A' ' 617' ' ' VAL . 4.6 t -74.35 160.31 31.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 70.33 111.104 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 616' ' ' TYR . . . . . . . . . . . . . 15.8 p90 -100.17 0.47 40.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 60.34 110.912 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 617' ' ' VAL . . . . . 0.532 HG12 ' OG1' ' A' ' 615' ' ' THR . 12.0 p -71.75 -33.6 49.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 63.53 111.096 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 618' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.69 -50.66 71.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.271 -0.422 . . . . 73.03 110.877 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 619' ' ' LEU . . . . . 0.487 HD13 ' CG1' ' A' ' 603' ' ' VAL . 1.1 pp -66.89 -28.22 68.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 74.13 110.993 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 620' ' ' LYS . . . . . . . . . . . . . 39.3 mtpt -68.06 -35.08 77.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 75.21 110.922 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -71.6 -49.8 36.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 73.24 110.871 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 18.3 mtmt -55.03 -41.76 71.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 72.13 110.876 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 623' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -68.65 -49.61 57.75 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.244 -0.435 . . . . 73.32 110.933 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -52.26 -53.81 39.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.264 -0.426 . . . . 73.04 110.88 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 14.8 t -62.04 -29.23 70.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 61.42 111.154 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 626' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.92 -53.96 45.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 72.25 110.928 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 627' ' ' VAL . . . . . 0.597 ' O ' HD13 ' A' ' 632' ' ' ILE . 55.0 t -59.08 -54.62 31.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 71.22 111.154 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 628' ' ' HIS . . . . . 0.534 ' HA ' HD13 ' A' ' 632' ' ' ILE . 0.3 OUTLIER -53.09 -29.03 28.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 75.34 110.886 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 629' ' ' THR . . . . . . . . . . . . . 24.1 m -74.62 -30.06 61.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 73.41 111.186 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 630' ' ' ALA . . . . . 0.675 ' HA ' HD13 ' A' ' 647' ' ' LEU . . . -54.04 -50.13 67.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 72.34 111.019 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 631' ' ' SER . . . . . 0.711 ' C ' HD12 ' A' ' 632' ' ' ILE . 11.5 t 173.2 69.06 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 71.23 110.915 -179.758 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 632' ' ' ILE . . . . . 0.711 HD12 ' C ' ' A' ' 631' ' ' SER . 2.6 mp -129.73 -75.95 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 74.41 111.084 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 633' ' ' ALA . . . . . 0.612 ' HB3' ' CG ' ' A' ' 636' ' ' GLN . . . -103.58 142.53 24.77 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.557 0.694 . . . . 75.21 111.117 179.792 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 634' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -45.63 1.51 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.67 2.247 . . . . 44.12 112.353 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 635' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -72.27 -13.33 61.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 74.24 110.905 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 636' ' ' GLN . . . . . 0.612 ' CG ' ' HB3' ' A' ' 633' ' ' ALA . 66.4 mm-40 -80.38 -1.64 42.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.447 . . . . 64.11 110.928 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 637' ' ' ARG . . . . . . . . . . . . . 3.7 tpt180 -84.32 114.24 21.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 72.42 110.905 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 638' ' ' ARG . . . . . . . . . . . . . 6.5 tpm_? -75.92 145.25 40.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 53.2 110.855 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 639' ' ' GLY . . . . . . . . . . . . . . . -51.3 -52.32 32.73 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.77 -0.728 . . . . 75.2 112.508 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 640' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -53.02 137.04 47.33 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.611 0.719 . . . . 72.12 110.904 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 122.05 8.72 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.716 2.277 . . . . 73.51 112.243 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 642' ' ' VAL . . . . . 0.73 HG21 HD11 ' A' ' 647' ' ' LEU . 19.8 m -100.34 139.67 20.85 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-O 121.625 0.726 . . . . 65.23 111.138 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.91 129.47 17.49 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.617 2.212 . . . . 73.44 112.322 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 11.9 tm0? -61.43 -18.39 58.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.469 . . . . 74.05 110.932 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -65.45 -40.65 93.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 74.22 110.913 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 646' ' ' LEU . . . . . 0.973 HD22 HG11 ' A' ' 589' ' ' VAL . 62.5 mt -75.37 -53.08 9.32 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.192 -0.458 . . . . 62.52 110.892 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 647' ' ' LEU . . . . . 0.73 HD11 HG21 ' A' ' 642' ' ' VAL . 52.2 mt -53.32 -42.85 67.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 63.5 110.912 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -72.56 -30.21 64.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 73.35 110.853 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 3.1 mmt-85 -71.39 -48.77 47.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 63.02 110.847 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 650' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -62.42 -33.2 58.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 62.53 111.142 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 1.1 mp -71.38 -36.28 71.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 63.11 110.941 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -62.4 -46.1 90.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 71.41 111.167 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 653' ' ' ALA . . . . . 0.526 ' HB2' ' OE1' ' A' ' 593' ' ' GLU . . . -75.61 -48.98 19.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 73.22 111.083 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 654' ' ' HIS . . . . . . . . . . . . . 37.6 t-80 -53.31 -41.09 65.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 73.23 110.906 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -77.2 -46.85 21.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 72.13 111.07 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 76.3 t80 -55.26 -49.56 71.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 74.2 110.976 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 657' ' ' TRP . . . . . . . . . . . . . 60.8 m95 -70.44 -36.35 73.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.491 . . . . 75.13 110.961 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 1.8 t -53.86 -34.94 60.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 71.4 110.867 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 659' ' ' GLN . . . . . . . . . . . . . 36.5 mm-40 -57.02 -23.98 50.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.089 -0.505 . . . . 74.42 110.955 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 42.8 tt0 -110.06 -61.54 1.64 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.113 -0.494 . . . . 73.33 110.923 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 24.8 mm-40 -81.52 -176.9 6.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 71.43 110.926 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 662' ' ' GLY . . . . . . . . . . . . . . . -142.7 173.83 23.79 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.714 -0.755 . . . . 75.52 112.475 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 57.2 tptt -176.33 138.45 0.32 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.662 0.268 . . . . 72.32 110.903 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -67.33 115.85 7.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.29 -0.414 . . . . 74.3 110.867 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 665' ' ' HIS . . . . . . . . . . . . . 1.5 p80 -179.28 160.75 1.04 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 74.24 110.846 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 666' ' ' VAL . . . . . 0.416 ' O ' HG13 ' A' ' 666' ' ' VAL . 4.5 p -115.11 118.0 57.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 73.12 111.124 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -136.04 160.6 66.61 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.611 0.72 . . . . 71.52 110.887 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 668' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -174.51 0.93 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.638 2.225 . . . . 63.23 112.302 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 669' ' ' LEU . . . . . 0.497 HD12 ' O ' ' A' ' 669' ' ' LEU . 3.9 pp -106.59 129.02 54.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 52.21 110.94 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 670' ' ' LYS . . . . . . . . . . . . . 39.0 tttt -169.63 128.22 0.95 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 74.21 110.906 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 671' ' ' ILE . . . . . . . . . . . . . 10.6 tp -175.26 135.53 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 71.51 111.18 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 9.3 tp -128.4 115.11 17.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 71.3 110.939 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 673' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -152.19 148.65 27.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 74.14 110.817 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -137.37 152.91 50.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 61.12 111.051 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.15 120.08 19.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 63.2 110.906 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . -115.24 158.41 22.35 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.195 -0.457 . . . . 43.44 111.116 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 47.2 tt0 -172.42 129.45 0.56 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.275 -0.42 . . . . 72.54 110.858 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 678' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.59 104.06 16.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 71.51 110.964 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 679' ' ' VAL . . . . . . . . . . . . . 42.8 t -92.12 110.89 23.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.215 -0.448 . . . . 72.31 111.1 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 680' ' ' GLY . . . . . . . . . . . . . . . -110.09 -170.81 20.0 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.772 -0.728 . . . . 33.11 112.488 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 681' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-O 120.757 0.313 . . . . 75.24 111.138 179.992 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 561' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--O 1.231 0.142 0 CA-C-O 120.804 0.252 . . . . 60.31 112.338 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 562' ' ' VAL . . . . . . . . . . . . . 7.6 p -175.93 126.16 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 40.25 111.057 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 563' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -170.12 158.74 7.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 72.24 110.897 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.69 166.35 22.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 71.01 110.841 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 565' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -142.87 137.71 29.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 74.42 110.937 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 1.8 m -126.79 148.52 49.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 63.45 110.896 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 567' ' ' LYS . . . . . . . . . . . . . 7.6 tptm -146.52 132.62 19.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 74.02 110.873 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 24.5 mtp180 -156.8 114.06 3.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 65.14 110.901 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 38.6 p -91.72 125.77 36.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 54.32 110.886 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 20.0 mp0 -154.45 134.63 13.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 63.22 110.89 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -164.74 178.85 6.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 73.15 110.886 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -141.49 -169.84 2.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 74.03 110.835 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 573' ' ' GLN . . . . . . . . . . . . . 26.2 mp0 -143.25 148.89 37.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.1 -0.5 . . . . 74.52 110.872 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 574' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -143.4 179.1 7.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 75.42 110.841 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 74.1 mtt180 -124.49 92.84 3.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 71.24 110.862 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 576' ' ' ILE . . . . . 0.691 HD11 ' HB3' ' A' ' 624' ' ' LYS . 7.9 pt -151.49 142.48 16.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 63.23 111.147 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 58.6 mtm180 -155.77 121.45 4.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 73.1 110.914 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 578' ' ' ARG . . . . . . . . . . . . . 10.1 tpp180 -120.27 134.75 24.13 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.602 0.715 . . . . 73.31 110.883 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 75.28 1.22 Allowed 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 122.701 2.268 . . . . 71.51 112.363 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 580' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -92.63 137.75 32.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 62.34 110.864 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 20.3 m -76.73 158.27 31.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 44.33 110.888 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 582' ' ' VAL . . . . . . . . . . . . . 97.9 t -51.77 -29.62 10.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 71.11 111.167 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -69.15 -45.29 70.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 75.23 111.107 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 584' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -68.22 -53.91 21.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 62.24 110.828 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 585' ' ' VAL . . . . . 0.795 HG13 HD11 ' A' ' 626' ' ' LEU . 38.4 t -54.31 -34.45 27.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.477 . . . . 64.41 111.134 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 586' ' ' GLU . . . . . 0.574 ' HG3' HD11 ' A' ' 646' ' ' LEU . 18.6 mt-10 -62.0 -51.69 67.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 70.2 110.894 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 587' ' ' ALA . . . . . . . . . . . . . . . -65.13 -40.89 95.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 71.12 111.146 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 588' ' ' LEU . . . . . 0.447 ' O ' HG23 ' A' ' 592' ' ' VAL . 0.2 OUTLIER -58.32 -54.24 49.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 75.42 110.913 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 589' ' ' VAL . . . . . 0.517 HG21 ' HB3' ' A' ' 646' ' ' LEU . 58.3 t -65.92 -54.32 28.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.137 -0.483 . . . . 65.11 111.101 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -50.61 -47.38 58.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.133 -0.485 . . . . 61.22 110.905 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 591' ' ' ALA . . . . . 0.635 ' HB3' HG13 ' A' ' 603' ' ' VAL . . . -66.12 -38.04 87.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.088 -0.505 . . . . 45.41 111.116 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 592' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 588' ' ' LEU . 13.0 t -69.56 -26.99 32.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 74.03 111.123 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.7 -36.53 65.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.451 . . . . 75.32 110.953 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -85.63 -47.53 9.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 63.31 110.885 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 595' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -79.84 -24.25 41.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.208 -0.451 . . . . 75.43 110.931 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 596' ' ' GLY . . . . . . . . . . . . . . . 83.05 -174.48 52.67 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.699 -0.762 . . . . 52.03 112.502 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 1.9 p -93.64 23.4 4.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.837 0.351 . . . . 63.32 111.131 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 598' ' ' GLY . . . . . . . . . . . . . . . -122.11 -13.67 4.83 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.736 -0.745 . . . . 74.02 112.474 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 599' ' ' ARG . . . . . 0.587 ' O ' HG23 ' A' ' 603' ' ' VAL . 18.4 mtt180 -119.75 78.13 1.3 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.84 0.352 . . . . 73.41 110.882 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 600' ' ' TRP . . . . . . . . . . . . . 2.7 m0 -68.71 -50.16 53.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 72.01 110.911 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 601' ' ' ARG . . . . . . . . . . . . . 90.9 mtt180 -52.86 -40.98 63.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 71.32 110.868 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 602' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -68.07 -30.41 69.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 60.12 110.872 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 603' ' ' VAL . . . . . 0.635 HG13 ' HB3' ' A' ' 591' ' ' ALA . 52.6 t -72.8 -32.54 40.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 74.11 111.143 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 6.2 ttpm? -71.4 -41.96 68.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 75.41 110.875 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 605' ' ' MET . . . . . . . . . . . . . 19.9 ptp -72.87 -31.57 64.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 65.11 110.908 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 606' ' ' ARG . . . . . . . . . . . . . 2.9 ttt85 -80.63 -40.63 25.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 63.5 110.857 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -80.25 -68.95 0.63 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 61.44 111.107 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 608' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 -72.08 124.71 25.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 65.41 110.81 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -72.37 -34.18 67.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 53.53 110.865 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 37.7 m-20 -115.62 81.62 1.62 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 61.3 110.865 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 611' ' ' ALA . . . . . . . . . . . . . . . -141.81 76.74 1.55 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 72.1 111.113 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -97.63 -63.97 1.08 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.286 -0.415 . . . . 71.13 110.876 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 613' ' ' HIS . . . . . . . . . . . . . 15.4 m-70 -95.83 27.06 3.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 72.35 110.83 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 614' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.47 156.06 16.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 75.14 110.886 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 615' ' ' THR . . . . . 0.621 ' OG1' HG12 ' A' ' 617' ' ' VAL . 15.3 t -74.27 161.52 29.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 61.23 111.15 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 616' ' ' TYR . . . . . . . . . . . . . 24.6 p90 -105.07 -14.0 15.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.465 . . . . 73.05 110.924 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 617' ' ' VAL . . . . . 0.621 HG12 ' OG1' ' A' ' 615' ' ' THR . 10.1 p -71.45 -33.62 50.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.097 -0.502 . . . . 74.44 111.111 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 618' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -51.5 -50.74 59.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 70.01 110.924 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 619' ' ' LEU . . . . . . . . . . . . . 1.2 pp -60.58 -26.13 66.73 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.207 -0.451 . . . . 62.41 110.842 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 620' ' ' LYS . . . . . . . . . . . . . 9.6 ttmt -71.0 -34.22 71.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 64.31 110.93 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -71.23 -41.02 70.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 72.34 110.867 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 9.6 mmtt -66.4 -33.64 76.16 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.232 -0.44 . . . . 64.13 110.858 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 623' ' ' TRP . . . . . . . . . . . . . 1.1 t90 -69.18 -52.1 31.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.22 -0.446 . . . . 73.42 110.976 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 624' ' ' LYS . . . . . 0.691 ' HB3' HD11 ' A' ' 576' ' ' ILE . 0.2 OUTLIER -50.75 -54.94 19.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.284 -0.416 . . . . 71.11 110.903 179.863 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 7.2 t -59.86 -32.22 70.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.273 -0.421 . . . . 71.13 111.176 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 626' ' ' LEU . . . . . 0.795 HD11 HG13 ' A' ' 585' ' ' VAL . 0.3 OUTLIER -60.74 -53.67 54.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 44.22 110.935 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 627' ' ' VAL . . . . . 0.595 ' O ' HD13 ' A' ' 632' ' ' ILE . 76.4 t -54.43 -52.13 42.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 75.3 111.101 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 628' ' ' HIS . . . . . 0.515 ' CE1' HG21 ' A' ' 632' ' ' ILE . 1.6 m-70 -52.35 -34.66 48.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 75.4 110.851 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 629' ' ' THR . . . . . . . . . . . . . 19.7 m -71.06 -29.43 65.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 55.11 111.145 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 630' ' ' ALA . . . . . 0.649 ' HA ' HD13 ' A' ' 647' ' ' LEU . . . -54.4 -49.94 68.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.249 -0.432 . . . . 75.13 111.085 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 631' ' ' SER . . . . . 0.727 ' C ' HD12 ' A' ' 632' ' ' ILE . 11.6 t 173.61 68.76 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.216 -0.447 . . . . 62.43 110.888 -179.748 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 632' ' ' ILE . . . . . 0.727 HD12 ' C ' ' A' ' 631' ' ' SER . 2.2 mp -128.52 -74.33 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 75.44 111.123 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 633' ' ' ALA . . . . . 0.527 ' HB3' ' CG ' ' A' ' 636' ' ' GLN . . . -103.27 136.34 19.24 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.577 0.703 . . . . 72.25 111.106 179.78 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 634' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -36.35 11.07 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.79 2.327 . . . . 74.13 112.316 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 635' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -77.02 -13.19 59.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.25 -0.432 . . . . 75.24 110.92 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 636' ' ' GLN . . . . . 0.527 ' CG ' ' HB3' ' A' ' 633' ' ' ALA . 10.3 mm100 -80.15 -28.63 38.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 74.21 110.948 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 637' ' ' ARG . . . . . . . . . . . . . 73.2 ttt-85 -84.43 113.39 21.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 72.42 110.883 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 638' ' ' ARG . . . . . . . . . . . . . 24.8 tpt85 -174.9 157.99 2.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 71.33 110.901 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 639' ' ' GLY . . . . . . . . . . . . . . . 97.76 -157.56 20.73 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.752 -0.737 . . . . 72.42 112.453 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 640' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -51.52 160.69 0.95 Allowed Pre-proline 0 C--N 1.33 -0.242 0 CA-C-O 121.678 0.751 . . . . 74.13 110.838 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 122.12 8.81 Favored 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.646 2.231 . . . . 63.25 112.306 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 642' ' ' VAL . . . . . 0.496 HG23 ' HD2' ' A' ' 643' ' ' PRO . 4.4 p -91.98 134.41 28.81 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.587 0.708 . . . . 75.25 111.177 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 643' ' ' PRO . . . . . 0.496 ' HD2' HG23 ' A' ' 642' ' ' VAL . 54.5 Cg_endo -69.8 128.87 16.61 Favored 'Trans proline' 0 C--N 1.34 0.131 0 C-N-CA 122.739 2.293 . . . . 73.5 112.332 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -67.36 -20.63 65.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 74.13 110.915 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -65.38 -42.82 92.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 71.13 110.921 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 646' ' ' LEU . . . . . 0.574 HD11 ' HG3' ' A' ' 586' ' ' GLU . 26.9 mt -75.39 -40.17 58.24 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.187 -0.461 . . . . 74.22 110.903 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 647' ' ' LEU . . . . . 0.649 HD13 ' HA ' ' A' ' 630' ' ' ALA . 50.6 mt -68.07 -37.95 81.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 74.32 110.935 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 39.5 t0 -73.07 -30.69 63.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.187 -0.461 . . . . 75.22 110.897 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 11.0 mmp_? -74.96 -49.19 20.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.168 -0.469 . . . . 73.33 110.875 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 650' ' ' VAL . . . . . . . . . . . . . 1.4 p -60.34 -33.13 52.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 55.33 111.1 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 651' ' ' LEU . . . . . 0.516 ' CD1' ' HB1' ' A' ' 630' ' ' ALA . 15.4 mt -70.98 -43.06 68.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.455 . . . . 72.4 110.853 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -61.63 -42.14 98.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 32.12 111.118 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -75.81 -45.54 35.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 64.32 111.106 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 654' ' ' HIS . . . . . . . . . . . . . 46.3 t60 -54.7 -47.83 73.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 72.34 110.863 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -67.1 -46.68 73.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 73.34 111.05 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -56.87 -49.51 75.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 70.44 110.87 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 657' ' ' TRP . . . . . . . . . . . . . 61.6 m95 -70.39 -38.16 74.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 72.32 110.939 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 2.9 m -53.81 -33.48 56.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.267 -0.424 . . . . 53.44 110.845 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 659' ' ' GLN . . . . . . . . . . . . . 43.0 mm-40 -57.02 -23.44 46.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 72.44 110.87 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 10.7 mp0 -93.67 -65.77 0.97 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 74.15 110.838 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -175.63 176.24 1.94 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 64.11 110.955 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 662' ' ' GLY . . . . . . . . . . . . . . . -150.25 -167.62 14.54 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.689 -0.767 . . . . 74.2 112.453 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 44.6 mttm -153.79 -176.61 5.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.736 0.303 . . . . 72.41 110.909 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 23.6 tm0? -161.26 158.22 26.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.456 . . . . 75.43 110.896 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 665' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -172.84 166.29 5.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 72.43 110.866 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 666' ' ' VAL . . . . . . . . . . . . . 26.2 m -86.32 175.8 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 61.33 111.139 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -135.73 157.31 76.42 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.583 0.706 . . . . 61.02 110.891 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 668' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -171.14 0.44 Allowed 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.667 2.245 . . . . 43.25 112.334 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 669' ' ' LEU . . . . . 0.482 HD12 ' N ' ' A' ' 670' ' ' LYS . 4.2 pp -113.38 -175.4 2.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 75.44 110.971 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 670' ' ' LYS . . . . . 0.482 ' N ' HD12 ' A' ' 669' ' ' LEU . 11.5 tptp -170.08 155.38 5.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.227 -0.442 . . . . 63.41 110.867 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 671' ' ' ILE . . . . . . . . . . . . . 55.0 mt -142.58 147.22 21.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 75.41 111.172 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 3.4 tp -156.15 161.06 40.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.223 -0.444 . . . . 75.34 110.92 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 673' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -164.18 160.31 21.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 62.43 110.953 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -175.91 -176.22 0.81 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 65.43 111.021 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 8.1 ptpp? -153.7 -174.01 4.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 64.31 110.93 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . -147.65 -175.72 4.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.462 . . . . 64.35 111.127 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -168.67 146.13 3.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 54.41 110.885 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 678' ' ' LYS . . . . . . . . . . . . . 1.2 tmmm? -121.37 131.85 54.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 72.42 110.891 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 679' ' ' VAL . . . . . . . . . . . . . 41.0 t -124.25 147.67 28.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 65.01 111.185 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 680' ' ' GLY . . . . . . . . . . . . . . . -136.32 -175.74 13.98 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.707 -0.758 . . . . 43.43 112.504 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 681' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-O 120.758 0.314 . . . . 75.41 111.072 -179.968 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 561' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 562' ' ' VAL . 53.9 Cg_endo . . . . . 0 N--CA 1.465 -0.161 0 CA-C-O 120.827 0.261 . . . . 71.42 112.358 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 562' ' ' VAL . . . . . 0.4 ' C ' ' O ' ' A' ' 561' ' ' PRO . 27.1 m 37.01 44.18 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.243 -0.435 . . . . 43.02 111.105 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 563' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -149.01 120.2 7.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 55.34 110.863 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -92.42 -177.85 4.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 63.03 110.899 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 565' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.37 162.35 20.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 73.33 110.892 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 10.8 m -118.27 107.42 13.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.457 . . . . 44.52 110.875 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 567' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.8 67.18 1.51 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.097 -0.501 . . . . 75.33 110.927 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 16.0 mmp_? -76.96 153.29 34.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.261 -0.427 . . . . 74.03 110.878 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 42.2 p -86.23 146.62 26.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 55.22 110.875 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -113.12 152.99 28.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 62.34 110.861 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 9.6 mp -95.01 129.09 42.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 61.02 110.902 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 10.5 p -75.06 143.8 43.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 71.02 110.845 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 573' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -78.36 113.45 16.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 75.43 110.929 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 574' ' ' ARG . . . . . . . . . . . . . 34.8 ptt180 -100.54 139.24 36.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 61.11 110.876 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 11.3 mpt_? -54.58 173.54 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 61.35 110.892 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 576' ' ' ILE . . . . . . . . . . . . . 6.2 tp -51.86 126.59 7.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 64.31 111.114 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 28.6 tpt180 -82.06 -71.31 0.49 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 73.11 110.841 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 578' ' ' ARG . . . . . . . . . . . . . 61.8 mtt180 -118.8 160.25 41.18 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.614 0.721 . . . . 64.42 110.9 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 146.82 61.05 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.698 2.265 . . . . 74.31 112.329 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 580' ' ' PHE . . . . . 0.489 ' CD1' HG22 ' A' ' 585' ' ' VAL . 7.5 p90 -64.14 144.86 56.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 74.15 110.831 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 581' ' ' SER . . . . . 0.699 ' O ' HG23 ' A' ' 585' ' ' VAL . 3.0 m -96.48 179.25 5.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.163 -0.471 . . . . 63.12 110.835 -179.776 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 582' ' ' VAL . . . . . . . . . . . . . 15.6 m -52.69 -40.88 36.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.086 -0.506 . . . . 61.41 111.179 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -69.95 -33.93 72.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 60.25 111.079 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 584' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -74.41 -38.18 63.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 53.13 110.868 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 585' ' ' VAL . . . . . 0.699 HG23 ' O ' ' A' ' 581' ' ' SER . 81.6 t -53.65 -33.17 22.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.114 -0.493 . . . . 75.32 111.178 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 586' ' ' GLU . . . . . 0.459 ' HA ' HD22 ' A' ' 646' ' ' LEU . 9.9 pt-20 -51.14 -31.43 19.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.108 -0.496 . . . . 74.21 110.875 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 587' ' ' ALA . . . . . . . . . . . . . . . -61.07 -43.41 98.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 74.0 111.099 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 588' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.5 -44.08 88.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 70.33 110.973 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 589' ' ' VAL . . . . . 0.528 HG21 ' HB3' ' A' ' 646' ' ' LEU . 60.7 t -66.75 -56.09 15.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 44.41 111.15 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -54.94 -33.07 61.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 74.44 110.91 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 591' ' ' ALA . . . . . 0.45 ' HB2' ' HG3' ' A' ' 606' ' ' ARG . . . -69.8 -46.61 65.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 74.42 111.026 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 592' ' ' VAL . . . . . 0.462 HG12 ' O ' ' A' ' 589' ' ' VAL . 13.0 p -74.58 -25.72 19.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 65.23 111.155 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 593' ' ' GLU . . . . . 0.438 ' HG2' ' HB2' ' A' ' 653' ' ' ALA . 2.1 mt-10 -72.89 -41.23 64.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.099 -0.501 . . . . 74.35 110.847 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -84.28 -46.49 11.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 71.43 110.871 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 595' ' ' LEU . . . . . 0.619 HD22 ' HB3' ' A' ' 602' ' ' ASP . 11.4 mt -79.56 -16.93 55.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 64.02 110.927 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 596' ' ' GLY . . . . . . . . . . . . . . . 88.7 174.12 46.98 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.771 -0.728 . . . . 71.04 112.531 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 3.8 p -90.85 29.5 1.34 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.834 0.35 . . . . 71.42 111.17 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 598' ' ' GLY . . . . . . . . . . . . . . . -133.75 2.78 4.52 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.731 -0.747 . . . . 54.41 112.482 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 599' ' ' ARG . . . . . 0.664 ' O ' HG23 ' A' ' 603' ' ' VAL . 56.3 mtt85 -122.18 74.5 1.16 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.804 0.335 . . . . 72.35 110.923 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 600' ' ' TRP . . . . . . . . . . . . . 26.9 m0 -62.33 -50.1 72.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 75.21 110.911 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 601' ' ' ARG . . . . . . . . . . . . . 33.4 mtt85 -52.71 -48.72 66.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 54.21 110.811 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 602' ' ' ASP . . . . . 0.619 ' HB3' HD22 ' A' ' 595' ' ' LEU . 1.8 m-20 -63.08 -35.98 82.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.266 -0.425 . . . . 63.11 110.888 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 603' ' ' VAL . . . . . 0.664 HG23 ' O ' ' A' ' 599' ' ' ARG . 50.1 t -64.31 -32.21 56.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 74.43 111.1 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 11.8 ttpt -69.1 -48.17 63.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 72.3 110.946 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 605' ' ' MET . . . . . . . . . . . . . 37.6 mtp -73.13 -31.12 64.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 74.51 110.901 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 606' ' ' ARG . . . . . 0.556 ' CB ' HD11 ' A' ' 595' ' ' LEU . 0.2 OUTLIER -76.27 -36.57 58.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 74.15 110.895 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -88.61 -67.86 0.81 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 73.31 111.077 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 608' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -71.06 124.21 23.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 75.13 110.821 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -72.78 -34.36 66.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 71.4 110.831 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -95.31 40.13 1.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 75.43 110.817 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 611' ' ' ALA . . . . . . . . . . . . . . . -64.09 -168.21 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 63.51 111.104 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 10.6 t70 64.5 36.36 8.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 63.44 110.873 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 613' ' ' HIS . . . . . . . . . . . . . 44.8 t60 -165.35 -39.32 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 71.32 110.886 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 614' ' ' ARG . . . . . . . . . . . . . 14.9 mtm180 -84.83 157.12 21.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 74.34 110.917 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 615' ' ' THR . . . . . 0.693 ' OG1' HG12 ' A' ' 617' ' ' VAL . 3.7 t -73.51 158.01 35.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 72.24 111.105 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 616' ' ' TYR . . . . . . . . . . . . . 15.3 p90 -85.61 -24.16 27.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 73.04 110.935 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 617' ' ' VAL . . . . . 0.693 HG12 ' OG1' ' A' ' 615' ' ' THR . 13.8 p -60.26 -33.11 52.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.092 -0.504 . . . . 71.22 111.119 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 618' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.13 -50.57 72.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 74.42 110.882 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 619' ' ' LEU . . . . . 0.654 HD13 ' CG1' ' A' ' 603' ' ' VAL . 0.6 OUTLIER -61.38 -25.27 67.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 72.22 110.903 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 620' ' ' LYS . . . . . . . . . . . . . 22.6 ttpt -74.65 -33.81 62.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 74.23 110.936 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -71.65 -36.02 70.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 73.42 110.869 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 5.2 mttm -71.1 -41.14 70.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.45 . . . . 64.41 110.89 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 623' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -70.53 -50.23 39.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 73.11 110.854 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 17.0 tttt -50.73 -54.91 19.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 64.33 110.879 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 13.7 t -61.98 -31.0 71.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 64.45 111.173 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 626' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.68 -53.73 54.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 75.44 110.892 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 627' ' ' VAL . . . . . 0.587 ' O ' HD13 ' A' ' 632' ' ' ILE . 77.6 t -58.49 -54.95 26.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 65.31 111.159 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 628' ' ' HIS . . . . . 0.542 ' HA ' HD13 ' A' ' 632' ' ' ILE . 49.9 m170 -53.01 -29.54 30.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 71.21 110.89 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 629' ' ' THR . . . . . . . . . . . . . 23.7 m -74.35 -29.63 61.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 62.35 111.185 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 630' ' ' ALA . . . . . 0.668 ' HA ' HD13 ' A' ' 647' ' ' LEU . . . -54.16 -49.88 68.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 74.41 111.144 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 631' ' ' SER . . . . . 0.697 ' C ' HD12 ' A' ' 632' ' ' ILE . 11.8 t 173.26 68.52 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 65.13 110.852 -179.791 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 632' ' ' ILE . . . . . 0.697 HD12 ' C ' ' A' ' 631' ' ' SER . 2.8 mp -130.28 -76.43 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.106 -0.497 . . . . 52.13 111.11 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 633' ' ' ALA . . . . . 0.698 ' HB3' ' HB2' ' A' ' 636' ' ' GLN . . . -103.6 144.18 28.13 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.613 0.721 . . . . 74.04 111.151 179.785 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 634' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -48.07 0.78 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.639 2.226 . . . . 73.41 112.333 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 635' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -73.83 -13.73 60.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 72.43 110.895 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 636' ' ' GLN . . . . . 0.698 ' HB2' ' HB3' ' A' ' 633' ' ' ALA . 51.8 mm-40 -80.79 -0.87 40.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.133 -0.485 . . . . 75.01 110.963 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 637' ' ' ARG . . . . . . . . . . . . . 30.1 mmm-85 -79.47 114.25 18.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 74.32 110.915 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 638' ' ' ARG . . . . . . . . . . . . . 1.7 ttt-85 -60.64 134.11 56.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.461 . . . . 70.51 110.828 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 639' ' ' GLY . . . . . . . . . . . . . . . -51.78 -58.4 10.43 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.75 -0.738 . . . . 72.02 112.413 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 640' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -52.89 161.29 1.22 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.69 0.757 . . . . 63.43 110.846 -179.828 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 121.81 8.48 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.714 2.276 . . . . 61.34 112.333 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 642' ' ' VAL . . . . . 0.504 HG23 ' HD2' ' A' ' 643' ' ' PRO . 3.9 p -105.32 134.44 19.67 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.659 0.742 . . . . 62.15 111.151 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 643' ' ' PRO . . . . . 0.504 ' HD2' HG23 ' A' ' 642' ' ' VAL . 53.5 Cg_endo -69.76 128.62 16.3 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.742 2.295 . . . . 74.14 112.309 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -68.04 -25.62 65.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 55.12 110.912 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -62.93 -41.33 99.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 73.55 110.915 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 646' ' ' LEU . . . . . 0.528 ' HB3' HG21 ' A' ' 589' ' ' VAL . 58.2 mt -74.91 -34.81 62.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.494 . . . . 73.04 110.917 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 647' ' ' LEU . . . . . 0.668 HD13 ' HA ' ' A' ' 630' ' ' ALA . 53.5 mt -71.73 -40.67 69.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 71.5 110.9 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.44 -30.23 64.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 63.44 110.827 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -74.47 -49.03 23.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 72.52 110.896 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 650' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -59.33 -33.61 51.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 71.32 111.12 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 651' ' ' LEU . . . . . 0.404 ' HA ' HD12 ' A' ' 651' ' ' LEU . 0.9 OUTLIER -71.53 -41.99 68.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 72.43 110.892 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -54.55 -48.17 72.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 71.41 111.101 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 653' ' ' ALA . . . . . 0.438 ' HB2' ' HG2' ' A' ' 593' ' ' GLU . . . -75.06 -46.32 35.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 61.24 111.091 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 654' ' ' HIS . . . . . . . . . . . . . 52.2 t-80 -54.04 -41.51 68.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 64.15 110.861 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -76.04 -46.87 27.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 14.2 111.125 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 65.4 t80 -55.59 -49.43 72.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 73.35 110.918 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 657' ' ' TRP . . . . . . . . . . . . . 64.1 m95 -70.26 -36.7 74.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.152 -0.477 . . . . 55.33 110.916 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 16.4 t -54.09 -34.79 61.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.435 . . . . 71.01 110.889 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 659' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -57.46 -24.76 57.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.495 . . . . 64.03 110.931 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -122.03 50.42 1.45 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 61.42 110.926 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -152.77 167.67 28.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 52.4 110.929 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 662' ' ' GLY . . . . . . . . . . . . . . . -94.66 177.35 35.79 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.727 -0.749 . . . . 73.11 112.43 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 35.3 mtmm -151.21 171.96 16.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.73 0.3 . . . . 70.32 110.914 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -96.37 -72.08 0.65 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 75.34 110.978 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 665' ' ' HIS . . . . . . . . . . . . . 15.5 t-80 -143.12 136.26 28.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 63.04 110.829 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 666' ' ' VAL . . . . . . . . . . . . . 32.6 m -128.57 179.93 3.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 65.22 111.153 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -74.93 160.51 80.51 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.596 0.712 . . . . 53.23 110.897 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 668' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 155.57 65.59 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.697 2.265 . . . . 73.4 112.311 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 669' ' ' LEU . . . . . . . . . . . . . 54.8 tp -112.78 147.37 37.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 74.42 110.89 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 670' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.12 117.03 32.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 70.4 110.841 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 671' ' ' ILE . . . . . . . . . . . . . 21.5 tt -113.57 146.63 17.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 74.45 111.088 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 8.3 mp -90.94 127.31 36.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.485 . . . . 72.31 110.896 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 673' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -105.57 120.15 40.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 62.43 110.818 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -94.16 158.59 15.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 72.51 111.131 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 5.1 mtmp? -126.67 106.59 9.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 72.41 110.884 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . -76.89 132.08 38.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 73.24 111.14 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 33.9 tp60 -70.83 145.13 50.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 71.11 110.912 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 678' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.87 176.25 5.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 73.31 110.915 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 679' ' ' VAL . . . . . . . . . . . . . 57.8 t -123.67 132.61 71.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 65.43 111.119 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 680' ' ' GLY . . . . . . . . . . . . . . . -110.45 73.19 0.21 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.69 -0.767 . . . . 71.34 112.483 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 681' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-O 120.792 0.329 . . . . 61.51 111.117 -179.972 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 561' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.868 0.278 . . . . 63.45 112.338 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 562' ' ' VAL . . . . . 0.412 ' O ' HG23 ' A' ' 562' ' ' VAL . 4.9 m -130.98 103.17 7.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 74.03 111.15 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 563' ' ' ASN . . . . . 0.406 HD21 ' NE2' ' A' ' 661' ' ' GLN . 63.3 t30 -144.05 164.34 30.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.134 -0.484 . . . . 72.2 110.867 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 8.8 mp0 -96.7 174.27 6.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.494 . . . . 75.54 110.907 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 565' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -134.96 99.52 4.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 72.32 110.89 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -126.84 148.61 49.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.292 -0.413 . . . . 73.34 110.851 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 567' ' ' LYS . . . . . . . . . . . . . 20.0 tptt -139.38 148.94 43.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 65.13 110.838 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -140.98 179.45 6.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 74.42 110.87 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 17.1 t -116.84 151.81 35.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 75.14 110.87 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -152.63 178.99 9.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 74.22 110.897 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 19.1 mt -138.19 177.15 8.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 61.44 110.94 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 4.5 m -154.47 -170.21 3.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 63.23 110.829 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 573' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -163.78 -176.78 4.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.488 . . . . 72.51 110.888 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 574' ' ' ARG . . . . . . . . . . . . . 7.1 ptt180 -179.52 161.13 1.02 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 62.14 110.866 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 575' ' ' ARG . . . . . 0.651 ' O ' HD13 ' A' ' 576' ' ' ILE . 0.2 OUTLIER -145.71 -75.32 0.22 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 55.35 110.937 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 576' ' ' ILE . . . . . 0.651 HD13 ' O ' ' A' ' 575' ' ' ARG . 24.1 mm -135.27 150.46 29.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 70.12 111.113 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 4.0 mpt_? -107.56 179.91 4.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 70.2 110.897 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 578' ' ' ARG . . . . . . . . . . . . . 20.2 mmt85 -120.37 159.03 49.51 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.579 0.704 . . . . 72.23 110.857 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 82.1 0.78 Allowed 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.686 2.257 . . . . 61.42 112.325 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 580' ' ' PHE . . . . . . . . . . . . . 8.6 p90 -93.09 142.12 27.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 63.14 110.895 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 581' ' ' SER . . . . . 0.416 ' O ' HG23 ' A' ' 585' ' ' VAL . 18.0 m -109.29 170.4 8.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.481 . . . . 41.14 110.857 -179.785 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 582' ' ' VAL . . . . . . . . . . . . . 99.0 t -51.67 -37.65 20.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 61.34 111.102 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -69.61 -48.14 61.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 63.35 111.086 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 584' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -63.55 -54.77 30.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 74.22 110.852 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 585' ' ' VAL . . . . . 0.807 HG12 HD13 ' A' ' 646' ' ' LEU . 60.7 t -54.05 -33.84 25.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 75.02 111.086 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 586' ' ' GLU . . . . . 0.553 ' HG3' HD11 ' A' ' 646' ' ' LEU . 19.6 mt-10 -63.03 -52.12 64.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 70.33 110.93 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 587' ' ' ALA . . . . . 0.65 ' HB1' ' HA ' ' A' ' 607' ' ' ALA . . . -64.12 -31.42 72.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 54.54 111.083 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 588' ' ' LEU . . . . . 0.455 HD13 ' C ' ' A' ' 588' ' ' LEU . 2.4 tm? -66.41 -54.47 23.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 71.34 110.877 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 589' ' ' VAL . . . . . 0.599 HG21 ' HB3' ' A' ' 646' ' ' LEU . 47.9 t -60.75 -54.45 35.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 60.42 111.119 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -51.79 -37.1 50.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.153 -0.476 . . . . 75.42 110.927 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 591' ' ' ALA . . . . . 0.508 ' HB2' ' HG3' ' A' ' 606' ' ' ARG . . . -72.66 -40.22 66.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.067 -0.515 . . . . 44.43 111.082 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 592' ' ' VAL . . . . . . . . . . . . . 37.4 t -73.84 -26.07 21.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 75.14 111.176 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.02 -39.47 63.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 73.31 110.863 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 31.3 m170 -85.79 -47.26 9.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 71.32 110.891 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 595' ' ' LEU . . . . . 0.505 HD22 ' CB ' ' A' ' 602' ' ' ASP . 14.5 mt -79.56 -23.45 42.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 70.51 110.895 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 596' ' ' GLY . . . . . . . . . . . . . . . 84.22 -174.84 51.05 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.707 -0.758 . . . . 72.11 112.448 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 36.1 p -94.83 28.28 2.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.838 0.351 . . . . 60.32 111.133 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 598' ' ' GLY . . . . . . . . . . . . . . . -121.72 -24.83 2.25 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.737 -0.744 . . . . 44.2 112.558 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 599' ' ' ARG . . . . . 0.471 ' O ' HG23 ' A' ' 603' ' ' VAL . 43.0 mtt85 -105.68 71.74 0.93 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.855 0.359 . . . . 74.13 110.873 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 600' ' ' TRP . . . . . . . . . . . . . 5.1 m0 -59.8 -49.77 76.43 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.15 -0.477 . . . . 75.43 110.904 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 601' ' ' ARG . . . . . . . . . . . . . 73.8 mtm180 -52.42 -45.63 66.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 71.23 110.892 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 602' ' ' ASP . . . . . 0.505 ' CB ' HD22 ' A' ' 595' ' ' LEU . 17.7 m-20 -63.43 -35.15 79.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 64.12 110.829 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 603' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 599' ' ' ARG . 55.5 t -64.73 -31.81 55.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 52.55 111.14 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 27.2 ttpt -69.52 -49.3 55.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.489 . . . . 75.44 110.857 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 605' ' ' MET . . . . . . . . . . . . . 6.8 ptm -72.91 -31.47 64.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.296 -0.411 . . . . 74.3 110.922 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 606' ' ' ARG . . . . . 0.508 ' HG3' ' HB2' ' A' ' 591' ' ' ALA . 19.0 tpp180 -75.09 -40.5 60.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 72.23 110.952 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 607' ' ' ALA . . . . . 0.65 ' HA ' ' HB1' ' A' ' 587' ' ' ALA . . . -84.88 -68.8 0.7 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.108 -0.496 . . . . 44.11 111.142 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 608' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -71.53 124.75 25.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 73.01 110.92 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -71.98 -34.35 68.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 64.23 110.936 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 61.8 m-20 -119.85 79.45 1.45 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.232 -0.44 . . . . 73.31 110.836 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 611' ' ' ALA . . . . . . . . . . . . . . . -140.64 89.61 2.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.239 -0.437 . . . . 45.53 111.127 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -103.95 -57.67 2.0 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.466 . . . . 74.31 110.881 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 613' ' ' HIS . . . . . . . . . . . . . 13.5 t60 -95.76 25.84 4.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 63.04 110.851 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 614' ' ' ARG . . . . . . . . . . . . . 5.7 mmt180 -91.23 154.39 19.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 72.25 110.922 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 615' ' ' THR . . . . . 0.653 ' HB ' HG12 ' A' ' 617' ' ' VAL . 1.2 m -93.56 164.16 13.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 73.41 111.22 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 616' ' ' TYR . . . . . . . . . . . . . 7.4 p90 -89.78 3.4 52.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.259 -0.428 . . . . 73.24 110.996 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 617' ' ' VAL . . . . . 0.653 HG12 ' HB ' ' A' ' 615' ' ' THR . 12.3 p -72.41 -32.67 42.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.081 -0.509 . . . . 75.14 111.117 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 618' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.67 -50.59 23.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 52.43 110.843 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 619' ' ' LEU . . . . . 0.423 ' C ' HD12 ' A' ' 619' ' ' LEU . 2.5 pp -63.14 -39.58 95.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 73.35 110.894 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 620' ' ' LYS . . . . . . . . . . . . . 11.6 ptmm? -72.13 -32.59 67.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 75.23 110.884 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 621' ' ' ASP . . . . . 0.438 ' OD2' HG22 ' A' ' 617' ' ' VAL . 16.1 m-20 -71.65 -35.27 70.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.431 . . . . 74.15 110.829 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 17.4 ttmt -69.65 -38.67 77.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.274 -0.421 . . . . 63.12 110.902 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 623' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -63.97 -51.64 63.39 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.21 -0.45 . . . . 75.52 110.874 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.12 -55.42 20.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 45.44 110.869 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 11.5 t -61.68 -30.26 70.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 72.34 111.063 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 626' ' ' LEU . . . . . 0.722 HD11 HG13 ' A' ' 585' ' ' VAL . 0.3 OUTLIER -60.14 -53.85 52.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.249 -0.432 . . . . 75.51 110.95 179.935 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 627' ' ' VAL . . . . . 0.637 ' O ' HD13 ' A' ' 632' ' ' ILE . 79.4 t -56.82 -51.85 62.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 72.13 111.077 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 628' ' ' HIS . . . . . 0.432 ' HA ' ' HB ' ' A' ' 632' ' ' ILE . 12.8 m-70 -53.76 -28.19 33.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 71.44 110.836 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 629' ' ' THR . . . . . . . . . . . . . 21.3 m -79.28 -29.59 42.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 70.32 111.136 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 630' ' ' ALA . . . . . 0.672 ' HA ' HD13 ' A' ' 647' ' ' LEU . . . -55.24 -49.41 72.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 71.43 111.063 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 631' ' ' SER . . . . . 0.682 ' C ' HD12 ' A' ' 632' ' ' ILE . 10.8 t 173.32 70.64 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 61.31 110.903 -179.768 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 632' ' ' ILE . . . . . 0.682 HD12 ' C ' ' A' ' 631' ' ' SER . 1.8 mp -124.96 -65.46 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.135 -0.484 . . . . 62.41 111.162 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 633' ' ' ALA . . . . . 0.449 ' N ' HG22 ' A' ' 632' ' ' ILE . . . -101.99 155.25 36.68 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.556 0.694 . . . . 74.01 111.109 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 634' ' ' PRO . . . . . 0.41 ' HD2' ' HB1' ' A' ' 633' ' ' ALA . 53.8 Cg_endo -69.78 -44.36 2.11 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.682 2.254 . . . . 70.14 112.315 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 635' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -63.22 -15.98 58.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 71.45 110.927 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 17.0 mm-40 -81.65 -30.27 32.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 73.42 110.943 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 637' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.3 150.93 25.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 74.43 110.828 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 638' ' ' ARG . . . . . . . . . . . . . 4.8 tpt180 64.11 96.76 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 73.53 110.925 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 639' ' ' GLY . . . . . . . . . . . . . . . 174.83 -136.97 3.66 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.724 -0.75 . . . . 75.12 112.449 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 640' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -51.85 160.21 1.17 Allowed Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.664 0.745 . . . . 54.21 110.882 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.74 120.44 7.23 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.693 2.262 . . . . 73.12 112.353 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 642' ' ' VAL . . . . . 0.51 HG21 HD11 ' A' ' 647' ' ' LEU . 1.7 p -134.35 130.93 20.31 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.654 0.74 . . . . 62.12 111.121 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 643' ' ' PRO . . . . . 0.451 ' HG2' HD12 ' A' ' 646' ' ' LEU . 54.3 Cg_endo -69.78 128.54 16.16 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.693 2.262 . . . . 73.42 112.358 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -70.52 -21.71 62.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 74.2 110.866 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -68.18 -38.11 81.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 70.2 110.846 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 646' ' ' LEU . . . . . 0.807 HD13 HG12 ' A' ' 585' ' ' VAL . 50.2 mt -75.41 -42.05 54.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 73.22 110.976 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 647' ' ' LEU . . . . . 0.672 HD13 ' HA ' ' A' ' 630' ' ' ALA . 53.5 mt -65.3 -40.89 94.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 73.15 110.928 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -72.44 -33.02 66.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 73.41 110.882 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 5.8 mtp85 -74.52 -48.81 24.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 72.1 110.81 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 650' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -58.08 -33.66 47.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 74.3 111.151 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 651' ' ' LEU . . . . . 0.496 ' CD1' HG13 ' A' ' 627' ' ' VAL . 0.8 OUTLIER -71.5 -42.77 67.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 74.23 110.889 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -54.6 -51.25 65.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.429 . . . . 54.42 111.169 179.759 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -71.84 -41.27 68.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 73.02 111.097 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 654' ' ' HIS . . . . . . . . . . . . . 31.1 t-80 -53.24 -44.99 68.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 75.54 110.876 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -67.28 -47.33 70.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 73.44 111.098 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 73.9 t80 -55.15 -49.99 70.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 73.2 110.906 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 657' ' ' TRP . . . . . . . . . . . . . 55.4 m95 -71.12 -36.68 72.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 72.32 110.937 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 7.6 t -53.67 -32.12 50.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 60.24 110.855 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 659' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -56.8 -22.04 33.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 75.34 110.973 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 23.0 pt20 38.47 50.09 1.47 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 73.14 110.849 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 661' ' ' GLN . . . . . 0.406 ' NE2' HD21 ' A' ' 563' ' ' ASN . 5.0 tp60 -51.61 -29.09 16.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 75.34 110.914 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 662' ' ' GLY . . . . . . . . . . . . . . . -175.23 73.58 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.756 -0.735 . . . . 64.22 112.505 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 13.5 pttm -171.9 162.68 6.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.714 0.292 . . . . 62.32 110.919 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 -175.8 151.19 1.1 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 72.04 110.985 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 665' ' ' HIS . . . . . . . . . . . . . 3.7 m80 -159.19 179.35 9.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.253 -0.43 . . . . 72.01 110.826 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 666' ' ' VAL . . . . . 0.412 HG22 ' N ' ' A' ' 667' ' ' GLU . 9.9 p -116.56 158.44 17.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 75.13 111.145 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 667' ' ' GLU . . . . . 0.412 ' N ' HG22 ' A' ' 666' ' ' VAL . 0.0 OUTLIER -109.61 157.25 38.02 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.648 0.737 . . . . 53.31 110.882 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 668' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -170.69 0.41 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.643 2.228 . . . . 71.42 112.386 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 669' ' ' LEU . . . . . 0.437 ' H ' HD23 ' A' ' 669' ' ' LEU . 1.0 OUTLIER -108.3 -169.83 1.57 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 74.24 110.918 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 670' ' ' LYS . . . . . . . . . . . . . 6.5 mtpm? -66.53 151.32 47.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 62.24 110.866 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 671' ' ' ILE . . . . . . . . . . . . . 9.2 tp -175.56 145.83 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 64.54 111.152 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 37.8 tp -170.59 148.16 3.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.233 -0.44 . . . . 73.31 110.966 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 673' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -175.57 146.25 0.76 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 55.03 110.89 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -177.85 155.85 1.04 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 52.35 111.112 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -174.94 146.93 0.92 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 74.21 110.844 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . -176.3 163.07 2.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 74.51 111.1 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -173.96 156.03 2.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.273 -0.421 . . . . 62.24 110.901 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 678' ' ' LYS . . . . . . . . . . . . . 16.7 tptm -174.96 148.16 1.01 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 65.12 110.912 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 679' ' ' VAL . . . . . . . . . . . . . 17.8 m -123.16 -177.67 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 43.13 111.145 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 680' ' ' GLY . . . . . . . . . . . . . . . -168.18 173.92 43.01 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.77 -0.729 . . . . 31.32 112.51 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 681' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.267 0 CA-C-O 120.767 0.318 . . . . 64.24 111.109 179.975 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 561' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 N--CA 1.465 -0.157 0 CA-C-O 120.832 0.263 . . . . 72.52 112.337 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 562' ' ' VAL . . . . . . . . . . . . . 7.5 p -175.11 125.77 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 74.02 111.16 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 563' ' ' ASN . . . . . . . . . . . . . 24.3 m120 -146.34 -176.11 5.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.459 . . . . 73.23 110.876 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -171.26 175.48 4.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 70.13 110.867 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 565' ' ' LYS . . . . . . . . . . . . . 3.2 ptpt -164.05 147.71 9.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 74.03 110.819 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 8.9 m -127.08 148.61 50.13 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.189 -0.46 . . . . 74.04 110.845 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 567' ' ' LYS . . . . . . . . . . . . . 30.8 mmtp -139.77 158.07 44.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 72.21 110.929 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 8.0 mpt_? -134.82 125.03 26.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.28 -0.418 . . . . 73.12 110.802 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 28.7 m -116.84 151.75 35.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 71.44 110.856 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -151.36 137.68 18.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 71.45 110.886 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 72.1 mt -154.29 166.5 32.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 65.12 110.93 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 3.7 m 52.07 54.94 9.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 31.32 110.867 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 573' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -56.46 -33.84 66.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.099 -0.501 . . . . 73.24 110.951 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 574' ' ' ARG . . . . . . . . . . . . . 7.8 mpt_? -60.15 147.91 38.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.197 -0.456 . . . . 74.02 110.854 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -134.64 173.06 12.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 75.44 110.816 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 576' ' ' ILE . . . . . . . . . . . . . 6.9 tt -143.06 22.96 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 61.43 111.131 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -63.55 176.46 0.85 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 75.41 110.863 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 578' ' ' ARG . . . . . . . . . . . . . 22.4 mmm180 -105.31 157.47 34.33 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.642 0.734 . . . . 71.34 110.818 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 95.51 0.56 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.648 2.232 . . . . 61.01 112.291 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 580' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -91.95 144.74 25.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.293 -0.412 . . . . 74.33 110.838 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 16.8 m -72.5 159.29 34.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.099 -0.5 . . . . 73.13 110.875 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 582' ' ' VAL . . . . . 0.623 HG13 ' HG3' ' A' ' 643' ' ' PRO . 85.1 t -54.43 -36.84 35.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.149 -0.478 . . . . 54.55 111.135 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -68.72 -36.82 78.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 52.52 111.09 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 584' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -75.29 -41.24 57.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 72.44 110.9 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 585' ' ' VAL . . . . . . . . . . . . . 92.3 t -66.28 -37.09 78.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.107 -0.497 . . . . 71.14 111.12 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -51.49 -30.71 20.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.456 . . . . 74.13 110.878 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 587' ' ' ALA . . . . . . . . . . . . . . . -64.78 -46.12 83.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 72.3 111.062 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 588' ' ' LEU . . . . . 0.414 HD21 ' HB2' ' A' ' 619' ' ' LEU . 0.1 OUTLIER -59.06 -55.33 36.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.456 . . . . 73.52 110.977 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 589' ' ' VAL . . . . . 0.727 HG11 HD22 ' A' ' 646' ' ' LEU . 3.6 p -60.02 -50.55 79.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 73.24 111.092 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 590' ' ' GLU . . . . . 0.516 ' N ' HG13 ' A' ' 589' ' ' VAL . 19.0 mm-40 -60.08 -29.69 68.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 74.11 110.903 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 591' ' ' ALA . . . . . 0.46 ' CB ' HG13 ' A' ' 603' ' ' VAL . . . -74.8 -43.86 52.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 64.35 111.045 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 592' ' ' VAL . . . . . . . . . . . . . 12.8 p -75.52 -25.81 17.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 64.34 111.152 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 593' ' ' GLU . . . . . 0.42 ' HG2' ' HB2' ' A' ' 653' ' ' ALA . 2.2 mt-10 -73.71 -36.61 65.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 72.13 110.911 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 46.7 m170 -84.15 -47.26 11.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.469 . . . . 72.25 110.91 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 595' ' ' LEU . . . . . 0.402 HD13 ' HA ' ' A' ' 595' ' ' LEU . 4.1 mm? -80.29 -23.43 40.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 73.32 110.948 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 596' ' ' GLY . . . . . . . . . . . . . . . 94.16 175.07 39.22 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.746 -0.74 . . . . 71.11 112.476 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 597' ' ' THR . . . . . 0.475 HG21 ' CD2' ' A' ' 654' ' ' HIS . 0.4 OUTLIER -88.91 17.22 5.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.797 0.332 . . . . 43.43 111.13 -179.895 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 598' ' ' GLY . . . . . . . . . . . . . . . -125.24 15.22 7.3 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.802 -0.713 . . . . 73.13 112.504 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 599' ' ' ARG . . . . . 0.645 ' O ' HG23 ' A' ' 603' ' ' VAL . 40.4 mtt85 -140.75 79.26 1.69 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.843 0.354 . . . . 73.55 110.898 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 600' ' ' TRP . . . . . . . . . . . . . 10.9 m0 -69.32 -46.08 67.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 74.43 110.99 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 601' ' ' ARG . . . . . . . . . . . . . 46.7 ttm-85 -53.06 -48.97 67.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 73.45 110.884 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 602' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -64.41 -38.65 91.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.214 -0.448 . . . . 74.25 110.88 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 603' ' ' VAL . . . . . 0.645 HG23 ' O ' ' A' ' 599' ' ' ARG . 25.1 t -57.5 -36.74 54.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.177 -0.465 . . . . 54.23 111.131 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 3.7 ttpm? -72.19 -39.29 68.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 64.0 110.883 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 605' ' ' MET . . . . . . . . . . . . . 45.8 mmm -69.9 -31.57 69.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 73.03 110.919 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 606' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.39 -40.57 17.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 64.04 110.893 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -80.79 -69.36 0.61 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 75.15 111.111 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 608' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -71.98 124.61 25.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 71.12 110.869 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -72.33 -34.27 67.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 63.04 110.869 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -91.76 47.42 1.36 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 64.31 110.912 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 611' ' ' ALA . . . . . . . . . . . . . . . -85.28 55.02 3.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 61.04 111.106 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -100.38 86.76 3.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 75.44 110.792 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 613' ' ' HIS . . . . . . . . . . . . . 10.4 m-70 63.87 57.81 1.31 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 74.13 110.829 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 614' ' ' ARG . . . . . . . . . . . . . 8.4 tpp180 -121.9 156.32 33.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 74.44 110.806 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 615' ' ' THR . . . . . . . . . . . . . 2.2 m -74.42 158.09 34.49 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.127 -0.488 . . . . 54.41 111.076 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 616' ' ' TYR . . . . . . . . . . . . . 35.9 p90 -99.69 17.76 19.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.467 . . . . 74.4 110.896 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 617' ' ' VAL . . . . . . . . . . . . . 7.9 p -70.85 -36.43 64.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 62.23 111.176 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 618' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.69 -50.82 72.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.086 -0.506 . . . . 72.1 110.856 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 619' ' ' LEU . . . . . 0.414 ' HB2' HD21 ' A' ' 588' ' ' LEU . 0.8 OUTLIER -73.07 -19.86 61.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.271 -0.422 . . . . 54.25 110.882 -179.88 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 620' ' ' LYS . . . . . . . . . . . . . 4.6 tmmm? -68.02 -50.08 57.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 71.32 110.867 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 -71.89 -32.85 67.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 75.41 110.845 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 1.1 tppp? -65.73 -40.39 92.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 53.21 110.948 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 623' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -72.44 -44.48 62.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 75.12 110.948 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -51.05 -45.87 61.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.267 -0.424 . . . . 72.44 110.912 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 8.8 t -74.74 -37.48 62.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 42.11 111.142 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 626' ' ' LEU . . . . . 0.712 HD22 HG21 ' A' ' 650' ' ' VAL . 0.5 OUTLIER -54.96 -54.86 37.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.267 -0.424 . . . . 73.43 110.85 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 627' ' ' VAL . . . . . 0.634 ' O ' HD13 ' A' ' 632' ' ' ILE . 91.2 t -61.92 -54.68 31.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 72.04 111.089 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 628' ' ' HIS . . . . . 0.455 ' HA ' ' HB ' ' A' ' 632' ' ' ILE . 11.6 m170 -53.75 -26.53 23.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 73.45 110.884 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 629' ' ' THR . . . . . . . . . . . . . 36.3 m -78.36 -30.05 47.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 60.12 111.141 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 630' ' ' ALA . . . . . 0.597 ' HA ' HD13 ' A' ' 647' ' ' LEU . . . -52.81 -49.7 65.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 73.31 111.059 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 631' ' ' SER . . . . . 0.685 ' C ' HD12 ' A' ' 632' ' ' ILE . 0.4 OUTLIER 169.41 67.53 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 64.42 110.845 -179.77 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 632' ' ' ILE . . . . . 0.685 HD12 ' C ' ' A' ' 631' ' ' SER . 2.6 mp -128.19 -75.44 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.087 -0.506 . . . . 72.31 111.099 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 633' ' ' ALA . . . . . 0.709 ' HB3' ' HB2' ' A' ' 636' ' ' GLN . . . -102.54 145.44 30.54 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.594 0.711 . . . . 63.51 111.117 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 634' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.67 -48.27 0.78 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.65 2.233 . . . . 74.24 112.423 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 635' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -74.0 -14.12 60.97 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.173 -0.467 . . . . 72.33 110.891 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 636' ' ' GLN . . . . . 0.709 ' HB2' ' HB3' ' A' ' 633' ' ' ALA . 23.2 mm100 -81.12 -0.42 40.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 74.53 110.871 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 637' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -74.65 114.75 13.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.436 . . . . 72.41 110.867 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 638' ' ' ARG . . . . . . . . . . . . . 1.8 ttp180 -50.89 128.41 21.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 75.15 110.849 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 639' ' ' GLY . . . . . . . . . . . . . . . -51.49 -38.28 42.4 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.686 -0.769 . . . . 53.43 112.427 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 640' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -81.21 160.52 65.26 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.674 0.75 . . . . 64.44 110.888 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 122.11 8.81 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.694 2.263 . . . . 73.3 112.354 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 642' ' ' VAL . . . . . 0.804 HG21 HD11 ' A' ' 647' ' ' LEU . 5.8 m -106.5 139.44 20.34 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.674 0.75 . . . . 73.34 111.067 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 643' ' ' PRO . . . . . 0.623 ' HG3' HG13 ' A' ' 582' ' ' VAL . 53.7 Cg_endo -69.68 128.98 16.88 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.697 2.264 . . . . 70.53 112.378 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -65.63 -17.78 64.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 74.42 110.951 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -67.53 -42.98 81.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 71.41 110.83 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 646' ' ' LEU . . . . . 0.727 HD22 HG11 ' A' ' 589' ' ' VAL . 65.1 mt -71.98 -53.45 12.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.141 -0.481 . . . . 73.45 110.922 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 647' ' ' LEU . . . . . 0.804 HD11 HG21 ' A' ' 642' ' ' VAL . 45.9 mt -51.73 -51.78 53.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 74.11 110.931 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -56.9 -41.17 77.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 73.43 110.804 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 1.4 mmm180 -65.71 -40.48 92.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 64.01 110.858 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 650' ' ' VAL . . . . . 0.712 HG21 HD22 ' A' ' 626' ' ' LEU . 92.7 t -61.53 -55.11 26.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 62.31 111.09 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 651' ' ' LEU . . . . . 0.451 ' CD1' ' HB1' ' A' ' 630' ' ' ALA . 24.5 mt -63.2 -25.52 68.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 63.33 110.951 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -64.51 -51.37 63.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 53.41 111.152 179.736 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 653' ' ' ALA . . . . . 0.42 ' HB2' ' HG2' ' A' ' 593' ' ' GLU . . . -75.82 -49.48 17.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 63.12 111.134 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 654' ' ' HIS . . . . . 0.475 ' CD2' HG21 ' A' ' 597' ' ' THR . 19.7 m80 -53.26 -31.14 42.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.279 -0.419 . . . . 75.14 110.869 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -77.15 -46.9 21.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 32.33 111.075 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 77.2 t80 -63.27 -47.11 83.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 75.43 110.9 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 657' ' ' TRP . . . . . . . . . . . . . 33.1 m95 -65.41 -39.07 91.71 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.15 -0.477 . . . . 74.43 110.841 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 3.6 m -61.13 -33.07 72.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.285 -0.416 . . . . 72.22 110.938 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 659' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -57.16 -24.22 52.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 75.54 110.911 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -92.08 -49.66 6.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 72.31 110.95 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -172.48 175.9 3.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.151 -0.477 . . . . 72.51 110.924 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 662' ' ' GLY . . . . . . . . . . . . . . . 140.37 114.89 1.18 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.724 -0.751 . . . . 61.1 112.469 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 4.0 pttp -174.91 -172.72 0.64 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.735 0.302 . . . . 73.33 110.889 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 30.9 tp60 63.22 66.1 0.74 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 74.21 110.897 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 665' ' ' HIS . . . . . . . . . . . . . 51.0 m-70 -96.79 130.09 44.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 65.42 110.876 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 666' ' ' VAL . . . . . . . . . . . . . 10.6 p -127.08 151.98 34.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.237 -0.438 . . . . 42.41 111.216 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -113.14 157.38 41.04 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.63 0.729 . . . . 73.3 110.901 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 668' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -48.29 0.75 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.658 2.239 . . . . 65.44 112.373 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 669' ' ' LEU . . . . . . . . . . . . . 2.4 pp -176.27 168.87 2.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 65.24 110.911 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 670' ' ' LYS . . . . . . . . . . . . . 3.5 ptmm? -139.72 83.14 1.91 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 74.1 110.969 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 671' ' ' ILE . . . . . . . . . . . . . 10.0 tp -172.66 143.08 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 75.04 111.177 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -174.77 116.79 0.18 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 64.31 110.912 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 673' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -175.16 146.69 0.86 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.449 . . . . 72.04 110.897 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -175.49 135.09 0.31 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 74.03 111.094 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 4.8 tppt? -174.48 157.12 2.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 73.0 110.898 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . -165.29 170.54 14.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 52.12 111.096 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 2.7 pp0? -175.15 173.02 2.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 71.43 110.889 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 678' ' ' LYS . . . . . . . . . . . . . 6.5 pttm -126.55 -176.79 3.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 71.44 110.897 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 679' ' ' VAL . . . . . . . . . . . . . 11.7 p -149.41 147.04 16.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 70.04 111.16 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 680' ' ' GLY . . . . . . . . . . . . . . . -111.84 125.04 7.05 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.735 -0.745 . . . . 72.11 112.499 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 681' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.277 0 CA-C-O 120.863 0.363 . . . . 54.3 111.151 179.967 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 561' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.796 0.249 . . . . 75.33 112.297 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 562' ' ' VAL . . . . . . . . . . . . . 40.3 t 56.4 72.39 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 73.43 111.158 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 563' ' ' ASN . . . . . . . . . . . . . 13.3 p30 -95.45 165.41 12.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 73.34 110.927 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 9.6 tp-100 -168.16 143.72 3.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 75.13 110.888 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 565' ' ' LYS . . . . . . . . . . . . . 19.9 ttmt -119.18 166.1 13.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 70.31 110.888 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -117.17 123.2 46.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.237 -0.438 . . . . 53.44 110.844 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 567' ' ' LYS . . . . . . . . . . . . . 19.1 pttp -145.1 122.57 11.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.489 . . . . 55.23 110.897 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -160.75 111.4 1.79 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.29 -0.414 . . . . 74.43 110.911 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 3.9 m -86.18 120.87 28.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 41.52 110.852 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -89.23 93.89 9.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.093 -0.503 . . . . 72.44 110.919 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 8.0 mp -82.6 56.49 3.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 75.5 110.898 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 14.8 t -139.77 138.32 35.78 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.236 -0.438 . . . . 62.23 110.799 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 573' ' ' GLN . . . . . . . . . . . . . 39.1 mm-40 -102.18 91.01 4.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.1 -0.5 . . . . 71.43 110.907 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 574' ' ' ARG . . . . . . . . . . . . . 53.8 mmm-85 -131.51 172.06 12.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 62.42 110.897 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.66 50.45 1.82 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 73.32 110.876 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 576' ' ' ILE . . . . . . . . . . . . . 13.3 tt -119.21 132.81 68.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 74.1 111.042 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -120.08 109.87 15.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.469 . . . . 72.33 110.879 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 578' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -77.57 160.12 75.56 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.587 0.708 . . . . 65.4 110.902 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 99.93 0.78 Allowed 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.711 2.274 . . . . 72.44 112.379 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 580' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -91.49 142.57 27.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 75.02 110.878 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 47.1 m -73.45 158.56 34.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.075 -0.511 . . . . 73.03 110.857 -179.758 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 582' ' ' VAL . . . . . . . . . . . . . 27.7 m -54.46 -32.15 24.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.087 -0.506 . . . . 64.23 111.125 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -64.78 -46.92 80.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 73.32 111.101 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 584' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -73.57 -44.19 57.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 61.32 110.89 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 585' ' ' VAL . . . . . 0.712 HG13 HD11 ' A' ' 626' ' ' LEU . 93.5 t -62.43 -35.4 69.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 73.32 111.139 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -58.07 -34.2 69.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.483 . . . . 73.12 110.844 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 587' ' ' ALA . . . . . . . . . . . . . . . -70.68 -45.42 65.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 42.14 111.1 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 588' ' ' LEU . . . . . 0.44 HD13 ' C ' ' A' ' 588' ' ' LEU . 2.3 tm? -55.84 -55.13 36.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 71.21 110.972 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 589' ' ' VAL . . . . . 0.657 HG22 HD13 ' A' ' 626' ' ' LEU . 36.9 t -61.49 -54.31 36.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 75.42 111.144 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -50.91 -44.22 60.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 74.45 110.874 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 591' ' ' ALA . . . . . 0.563 ' CB ' HG13 ' A' ' 603' ' ' VAL . . . -66.36 -39.94 89.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 61.24 111.105 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 592' ' ' VAL . . . . . . . . . . . . . 17.9 t -69.52 -26.47 31.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 64.33 111.094 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 593' ' ' GLU . . . . . 0.499 ' HG2' ' HB2' ' A' ' 653' ' ' ALA . 1.2 mt-10 -74.42 -36.81 63.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 73.01 110.886 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 -85.86 -48.61 8.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 60.42 110.839 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 595' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -79.93 -24.0 41.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 62.14 110.869 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 596' ' ' GLY . . . . . . . . . . . . . . . 88.2 -166.47 35.12 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.744 -0.741 . . . . 75.14 112.482 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 69.9 p -102.08 21.84 14.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.792 0.329 . . . . 75.53 111.095 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 598' ' ' GLY . . . . . . . . . . . . . . . -125.9 -8.99 4.94 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.765 -0.731 . . . . 34.14 112.523 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 599' ' ' ARG . . . . . 0.653 ' O ' HG23 ' A' ' 603' ' ' VAL . 56.8 mtt85 -116.49 76.86 1.05 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.824 0.345 . . . . 62.44 110.815 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 600' ' ' TRP . . . . . 0.787 ' HB3' HD11 ' A' ' 619' ' ' LEU . 7.5 m0 -68.73 -49.91 54.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 74.1 110.909 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 601' ' ' ARG . . . . . . . . . . . . . 74.5 mtm-85 -54.46 -46.43 73.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.278 -0.419 . . . . 62.2 110.882 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 602' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -63.33 -30.58 71.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 73.5 110.889 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 603' ' ' VAL . . . . . 0.653 HG23 ' O ' ' A' ' 599' ' ' ARG . 38.8 t -71.32 -34.69 54.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 73.32 111.112 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 33.2 tptt -71.09 -44.13 66.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 73.2 110.942 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 605' ' ' MET . . . . . . . . . . . . . 28.2 ptm -72.86 -31.72 64.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 74.4 110.893 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 606' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.95 -42.61 26.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.445 . . . . 74.42 110.873 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -77.11 -68.41 0.61 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 75.41 111.119 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 608' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -70.97 124.16 23.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 71.33 110.866 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -72.59 -34.26 67.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.143 -0.481 . . . . 72.03 110.902 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -120.41 76.3 1.17 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 72.42 110.839 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 611' ' ' ALA . . . . . . . . . . . . . . . -102.42 74.92 1.42 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 63.53 111.114 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -51.15 -34.49 31.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 65.2 110.864 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 613' ' ' HIS . . . . . . . . . . . . . 8.8 p80 -115.63 125.41 52.88 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.213 -0.449 . . . . 64.05 110.783 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 614' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -71.92 103.0 3.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 74.53 110.913 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 615' ' ' THR . . . . . 0.453 HG22 ' H ' ' A' ' 616' ' ' TYR . 0.2 OUTLIER -97.48 176.43 5.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 72.3 111.137 -179.9 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 616' ' ' TYR . . . . . 0.532 ' HA ' HD21 ' A' ' 619' ' ' LEU . 26.1 p90 -163.94 -40.07 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 74.55 110.958 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 617' ' ' VAL . . . . . . . . . . . . . 9.5 p -72.02 -32.35 43.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 73.21 111.124 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 618' ' ' ASP . . . . . 0.429 ' HB2' HG21 ' A' ' 615' ' ' THR . 0.2 OUTLIER -69.51 -51.54 34.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 71.22 110.89 179.892 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 619' ' ' LEU . . . . . 0.787 HD11 ' HB3' ' A' ' 600' ' ' TRP . 1.2 pp -65.25 -52.35 54.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 74.4 110.927 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 620' ' ' LYS . . . . . 0.503 ' N ' HD12 ' A' ' 619' ' ' LEU . 17.4 pttt -56.16 -33.11 64.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 73.11 110.893 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -64.96 -44.82 88.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 50.01 110.873 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 5.8 mptt -67.72 -28.25 67.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 75.15 110.871 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 623' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -73.33 -53.61 10.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.292 -0.413 . . . . 73.43 110.88 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -51.66 -42.73 62.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 73.52 110.918 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 12.6 t -72.45 -29.3 63.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.247 -0.433 . . . . 73.43 111.119 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 626' ' ' LEU . . . . . 0.712 HD11 HG13 ' A' ' 585' ' ' VAL . 0.6 OUTLIER -68.45 -55.53 11.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.218 -0.446 . . . . 75.44 110.882 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 627' ' ' VAL . . . . . 0.693 HG21 ' CG ' ' A' ' 654' ' ' HIS . 4.2 p -56.6 -45.0 82.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 75.42 111.096 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 628' ' ' HIS . . . . . 0.461 ' HA ' HD13 ' A' ' 632' ' ' ILE . 14.6 m170 -58.01 -38.04 75.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 64.32 110.817 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 629' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -69.25 -28.7 66.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 70.24 111.14 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 630' ' ' ALA . . . . . 0.773 ' HA ' HD13 ' A' ' 647' ' ' LEU . . . -53.7 -47.9 70.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 75.22 111.135 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 631' ' ' SER . . . . . 0.743 ' C ' HD12 ' A' ' 632' ' ' ILE . 0.5 OUTLIER 173.88 68.01 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.269 -0.423 . . . . 72.21 110.853 -179.763 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 632' ' ' ILE . . . . . 0.743 HD12 ' C ' ' A' ' 631' ' ' SER . 2.5 mp -134.11 -72.86 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 74.31 111.15 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 633' ' ' ALA . . . . . 0.576 ' HB3' ' CG ' ' A' ' 636' ' ' GLN . . . -102.97 144.77 29.3 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.695 0.76 . . . . 74.21 111.08 179.78 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 634' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -45.61 1.5 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.757 2.305 . . . . 70.32 112.341 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 635' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -73.83 -13.01 60.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 64.01 110.826 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 636' ' ' GLN . . . . . 0.576 ' CG ' ' HB3' ' A' ' 633' ' ' ALA . 9.8 mm100 -80.35 -33.09 37.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 73.13 110.867 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 637' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 -84.47 113.24 21.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 61.54 110.889 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 638' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 177.82 -169.98 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 75.01 110.852 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 639' ' ' GLY . . . . . . . . . . . . . . . 74.85 -162.9 54.12 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.732 -0.746 . . . . 45.54 112.477 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 640' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.3 156.9 1.79 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.601 0.715 . . . . 62.4 110.941 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 122.69 9.37 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.745 2.297 . . . . 74.4 112.324 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 642' ' ' VAL . . . . . 0.67 ' CG2' HD11 ' A' ' 647' ' ' LEU . 17.0 m -101.0 140.15 21.07 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.568 0.699 . . . . 74.12 111.163 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 133.8 26.55 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.725 2.283 . . . . 62.25 112.328 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -62.08 -20.32 63.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 73.1 110.933 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -63.37 -41.53 98.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 72.43 110.922 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 646' ' ' LEU . . . . . 0.672 HD13 HG12 ' A' ' 585' ' ' VAL . 83.7 mt -75.56 -41.88 53.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 74.0 110.903 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 647' ' ' LEU . . . . . 0.773 HD13 ' HA ' ' A' ' 630' ' ' ALA . 54.9 mt -66.82 -33.38 75.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 61.35 110.88 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -72.54 -42.01 65.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.221 -0.445 . . . . 54.21 110.81 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 53.1 mtt180 -73.97 -48.14 32.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 70.21 110.921 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 650' ' ' VAL . . . . . 0.422 HG12 ' HA ' ' A' ' 647' ' ' LEU . 5.5 p -56.72 -34.78 43.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 75.41 111.135 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 651' ' ' LEU . . . . . 0.555 HD23 HG23 ' A' ' 627' ' ' VAL . 19.8 mt -71.53 -42.49 67.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 74.45 110.946 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -60.06 -49.47 77.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 43.11 111.152 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 653' ' ' ALA . . . . . 0.499 ' HB2' ' HG2' ' A' ' 593' ' ' GLU . . . -68.25 -48.27 65.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 74.32 111.128 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 654' ' ' HIS . . . . . 0.693 ' CG ' HG21 ' A' ' 627' ' ' VAL . 53.2 t60 -56.56 -43.52 80.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.248 -0.433 . . . . 73.32 110.828 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -74.2 -46.8 39.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 73.12 111.091 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 67.7 t80 -56.86 -49.49 75.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 75.11 110.901 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 657' ' ' TRP . . . . . . . . . . . . . 65.9 m95 -70.49 -31.13 68.12 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.154 -0.476 . . . . 74.23 110.85 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 2.2 t -59.33 -35.79 74.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.303 -0.408 . . . . 73.42 110.86 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 659' ' ' GLN . . . . . . . . . . . . . 20.1 tt0 -56.85 -24.9 54.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.489 . . . . 74.24 110.9 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -131.07 51.21 2.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 71.3 110.917 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -164.94 158.12 16.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 63.3 110.994 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 662' ' ' GLY . . . . . . . . . . . . . . . -97.43 -149.28 25.13 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.791 -0.718 . . . . 74.33 112.495 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 39.1 mmtt -146.47 158.66 43.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.764 0.316 . . . . 75.14 110.893 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 19.7 mp0 -154.83 165.23 37.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 64.3 110.964 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 665' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -175.38 111.51 0.12 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 73.35 110.88 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 666' ' ' VAL . . . . . . . . . . . . . 16.1 m -151.62 133.04 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 64.02 111.172 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -136.08 157.58 75.47 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.618 0.723 . . . . 74.4 110.891 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 668' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -170.95 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.698 2.265 . . . . 62.35 112.355 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 669' ' ' LEU . . . . . . . . . . . . . 16.2 tp -156.21 113.22 3.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 61.22 110.9 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 670' ' ' LYS . . . . . . . . . . . . . 6.7 tppt? -170.26 157.73 6.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 75.31 110.933 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 671' ' ' ILE . . . . . . . . . . . . . 19.0 pt -131.87 -177.61 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 74.43 111.083 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -144.41 166.2 25.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 73.45 110.94 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 673' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -174.88 158.62 2.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 52.23 110.833 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -170.42 178.06 3.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.459 . . . . 52.43 111.116 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 26.0 mttp -132.28 179.35 6.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.193 -0.458 . . . . 64.24 110.887 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . -130.5 -174.29 3.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 63.11 111.116 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 11.2 tp-100 -169.31 160.22 9.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.28 -0.418 . . . . 63.24 110.931 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 678' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -148.05 133.07 18.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 74.32 110.881 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 679' ' ' VAL . . . . . . . . . . . . . 44.0 t -93.48 147.18 5.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 74.44 111.114 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 680' ' ' GLY . . . . . . . . . . . . . . . -107.21 -137.58 8.53 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.777 -0.725 . . . . 65.4 112.476 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 681' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.271 0 CA-C-O 120.782 0.325 . . . . 72.45 111.07 179.955 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 561' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.849 0.27 . . . . 62.33 112.326 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 562' ' ' VAL . . . . . . . . . . . . . 7.5 p -174.57 125.42 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 73.42 111.104 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 563' ' ' ASN . . . . . . . . . . . . . 41.2 t30 -150.89 147.26 27.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 72.44 110.894 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -164.51 168.73 18.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 74.43 110.951 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 565' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.97 26.02 7.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 52.43 110.908 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 3.8 m -98.36 147.67 24.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 74.13 110.797 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 567' ' ' LYS . . . . . . . . . . . . . 38.5 pttt -112.32 -26.22 8.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 64.52 110.878 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 57.2 ttt180 -76.59 132.8 39.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 55.24 110.922 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -116.87 151.59 36.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 75.13 110.831 -179.827 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -67.63 150.54 48.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.059 -0.519 . . . . 52.04 110.889 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 90.8 mt -154.38 -176.66 5.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.119 -0.491 . . . . 62.12 110.867 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 4.3 m -127.14 171.43 11.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 63.54 110.848 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 573' ' ' GLN . . . . . . . . . . . . . 59.3 mm-40 -152.63 -176.29 5.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 74.53 110.914 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 574' ' ' ARG . . . . . . . . . . . . . 6.1 tpm_? -103.23 -74.57 0.63 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.222 -0.444 . . . . 73.33 110.873 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? 52.01 58.8 5.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 74.31 110.829 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 576' ' ' ILE . . . . . . . . . . . . . 14.7 tt -82.08 146.47 7.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 71.33 111.066 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 54.3 mtp85 -132.58 -175.78 3.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 72.33 110.884 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 578' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -113.72 160.02 33.51 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.594 0.711 . . . . 71.22 110.902 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 103.38 1.16 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.651 2.234 . . . . 73.12 112.37 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 580' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -92.3 144.13 25.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 72.01 110.897 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 581' ' ' SER . . . . . 0.544 ' O ' HG23 ' A' ' 585' ' ' VAL . 1.3 m -72.44 158.62 35.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.125 -0.489 . . . . 71.51 110.858 -179.756 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 582' ' ' VAL . . . . . 0.532 HG12 ' HD3' ' A' ' 643' ' ' PRO . 32.0 m -55.19 -32.44 28.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.479 . . . . 71.31 111.169 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -69.3 -41.43 76.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 74.51 111.134 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 584' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -74.99 -41.25 59.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 64.25 110.84 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 585' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 581' ' ' SER . 97.9 t -61.29 -35.64 67.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.127 -0.488 . . . . 71.13 111.123 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -51.42 -30.64 19.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 74.14 110.886 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 587' ' ' ALA . . . . . 0.592 ' HB1' ' HA ' ' A' ' 607' ' ' ALA . . . -67.4 -47.36 70.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 74.02 111.103 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 588' ' ' LEU . . . . . 0.532 HD13 ' O ' ' A' ' 588' ' ' LEU . 0.5 OUTLIER -56.35 -47.14 79.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.216 -0.447 . . . . 34.02 110.956 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 589' ' ' VAL . . . . . 0.641 HG22 HD13 ' A' ' 626' ' ' LEU . 21.7 t -67.84 -56.77 11.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 55.14 111.099 179.802 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -55.0 -27.55 45.07 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.169 -0.469 . . . . 74.05 110.92 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 591' ' ' ALA . . . . . 0.41 ' HB2' ' HG3' ' A' ' 606' ' ' ARG . . . -75.69 -46.4 31.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 75.01 111.096 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 592' ' ' VAL . . . . . 0.441 HG23 ' HA ' ' A' ' 597' ' ' THR . 14.9 p -74.72 -25.63 19.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 75.25 111.101 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 593' ' ' GLU . . . . . 0.425 ' OE1' ' HB2' ' A' ' 653' ' ' ALA . 0.7 OUTLIER -72.96 -42.43 63.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 64.44 110.831 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -84.58 -47.2 10.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 74.33 110.803 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 595' ' ' LEU . . . . . 0.7 HD22 ' HB3' ' A' ' 602' ' ' ASP . 8.5 mt -79.88 -13.81 59.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 74.41 110.881 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 596' ' ' GLY . . . . . . . . . . . . . . . 85.41 173.46 49.67 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.736 -0.745 . . . . 70.31 112.509 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 597' ' ' THR . . . . . 0.441 ' HA ' HG23 ' A' ' 592' ' ' VAL . 0.2 OUTLIER -88.12 11.71 15.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.821 0.343 . . . . 70.14 111.153 -179.888 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 598' ' ' GLY . . . . . . . . . . . . . . . -120.08 14.33 10.35 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.721 -0.752 . . . . 74.23 112.491 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 599' ' ' ARG . . . . . 0.651 ' O ' HG23 ' A' ' 603' ' ' VAL . 56.2 mtt85 -127.88 69.63 1.33 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.853 0.358 . . . . 64.23 110.827 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 600' ' ' TRP . . . . . 0.508 ' HB3' HD21 ' A' ' 619' ' ' LEU . 12.8 m0 -59.89 -50.34 74.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 71.53 110.875 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 601' ' ' ARG . . . . . . . . . . . . . 30.1 mtm180 -52.46 -47.87 66.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.426 . . . . 65.44 110.85 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 602' ' ' ASP . . . . . 0.7 ' HB3' HD22 ' A' ' 595' ' ' LEU . 1.7 m-20 -65.31 -37.11 86.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 73.11 110.892 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 603' ' ' VAL . . . . . 0.686 HG11 HD13 ' A' ' 619' ' ' LEU . 53.8 t -65.15 -31.96 56.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 63.14 111.179 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 604' ' ' LYS . . . . . 0.5 ' HG3' HD23 ' A' ' 619' ' ' LEU . 5.9 mtmt -68.4 -49.51 59.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 71.43 110.856 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 605' ' ' MET . . . . . . . . . . . . . 22.7 mmm -73.5 -31.52 63.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 64.24 110.898 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 606' ' ' ARG . . . . . 0.659 ' CB ' HD11 ' A' ' 595' ' ' LEU . 18.9 tpp180 -73.07 -40.96 64.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 53.4 110.853 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 607' ' ' ALA . . . . . 0.592 ' HA ' ' HB1' ' A' ' 587' ' ' ALA . . . -90.74 -70.13 0.69 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 54.54 111.061 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 608' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -70.78 125.25 26.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 74.24 110.892 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -71.47 -33.9 69.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 72.24 110.811 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 24.9 m120 -112.09 74.08 0.85 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 75.44 110.884 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 611' ' ' ALA . . . . . . . . . . . . . . . -110.3 57.85 0.61 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 72.53 111.036 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -79.65 -66.54 0.86 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.246 -0.434 . . . . 63.12 110.92 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 613' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -111.47 29.72 7.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 74.44 110.909 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 614' ' ' ARG . . . . . . . . . . . . . 39.7 ttm-85 -81.15 155.5 26.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 71.13 110.861 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 615' ' ' THR . . . . . 0.682 ' OG1' HG12 ' A' ' 617' ' ' VAL . 4.9 t -84.14 159.55 21.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 65.41 111.142 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 616' ' ' TYR . . . . . . . . . . . . . 11.6 p90 -87.16 -19.82 27.91 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.164 -0.471 . . . . 72.53 110.961 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 617' ' ' VAL . . . . . 0.682 HG12 ' OG1' ' A' ' 615' ' ' THR . 14.3 p -71.25 -33.15 49.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.108 -0.496 . . . . 54.23 111.174 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 618' ' ' ASP . . . . . 0.424 ' H ' HG23 ' A' ' 615' ' ' THR . 3.1 m-20 -52.01 -50.74 60.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.457 . . . . 72.11 110.817 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 619' ' ' LEU . . . . . 0.686 HD13 HG11 ' A' ' 603' ' ' VAL . 1.2 pp -71.0 -31.16 67.61 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.168 -0.469 . . . . 73.42 110.927 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 620' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.65 -37.62 88.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 74.05 110.882 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -71.75 -45.77 60.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 63.54 110.899 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 43.1 tttt -55.0 -42.62 72.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 65.44 110.897 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 623' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -73.32 -44.2 59.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.295 -0.411 . . . . 73.4 110.904 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.51 -45.22 81.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.291 -0.413 . . . . 75.11 110.942 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 14.5 t -72.31 -28.99 63.43 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.191 -0.459 . . . . 75.43 111.182 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 626' ' ' LEU . . . . . 0.641 HD13 HG22 ' A' ' 589' ' ' VAL . 0.4 OUTLIER -64.13 -55.5 21.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 72.4 110.92 179.901 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 627' ' ' VAL . . . . . 0.824 HG23 HD12 ' A' ' 651' ' ' LEU . 4.2 p -59.67 -45.07 94.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 74.23 111.153 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 628' ' ' HIS . . . . . 0.429 ' N ' HG13 ' A' ' 627' ' ' VAL . 0.3 OUTLIER -61.33 -26.58 67.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 74.01 110.872 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 629' ' ' THR . . . . . . . . . . . . . 3.0 m -78.5 -29.3 46.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 70.52 111.132 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 630' ' ' ALA . . . . . 0.751 ' HA ' HD13 ' A' ' 647' ' ' LEU . . . -53.95 -49.59 68.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 54.54 111.038 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 631' ' ' SER . . . . . 0.748 ' C ' HD12 ' A' ' 632' ' ' ILE . 10.8 t 172.58 69.67 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 71.12 110.889 -179.806 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 632' ' ' ILE . . . . . 0.748 HD12 ' C ' ' A' ' 631' ' ' SER . 2.0 mp -129.77 -73.28 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 64.45 111.11 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 633' ' ' ALA . . . . . 0.513 ' N ' HG22 ' A' ' 632' ' ' ILE . . . -103.52 135.32 19.39 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.538 0.685 . . . . 74.32 111.093 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 634' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.84 -29.94 22.66 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.68 2.254 . . . . 72.44 112.348 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 635' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -76.27 -13.09 60.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.25 -0.432 . . . . 65.42 110.91 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 44.3 mm-40 -79.9 -1.85 41.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.193 -0.458 . . . . 73.41 110.91 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 637' ' ' ARG . . . . . . . . . . . . . 28.0 ptt180 -84.38 134.66 34.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 73.34 110.813 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 638' ' ' ARG . . . . . . . . . . . . . 14.5 mmt180 -116.59 -16.39 10.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 72.52 110.925 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 639' ' ' GLY . . . . . . . . . . . . . . . 93.68 -30.03 7.86 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.683 -0.77 . . . . 71.32 112.507 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 640' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -52.04 160.76 1.1 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.704 0.764 . . . . 74.54 110.851 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 121.74 8.42 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.668 2.246 . . . . 55.12 112.339 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 642' ' ' VAL . . . . . 0.639 HG21 HD11 ' A' ' 647' ' ' LEU . 2.1 p -126.84 131.2 23.78 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.545 0.688 . . . . 75.34 111.114 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 643' ' ' PRO . . . . . 0.532 ' HD3' HG12 ' A' ' 582' ' ' VAL . 53.8 Cg_endo -69.79 128.71 16.39 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.649 2.233 . . . . 75.4 112.34 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -71.0 -19.51 62.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 42.4 110.87 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -70.12 -38.54 75.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 72.45 110.816 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 646' ' ' LEU . . . . . 0.468 HD13 HG12 ' A' ' 585' ' ' VAL . 44.5 mt -75.48 -43.44 49.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 62.31 110.889 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 647' ' ' LEU . . . . . 0.751 HD13 ' HA ' ' A' ' 630' ' ' ALA . 63.4 mt -65.28 -41.49 94.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 74.23 110.907 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -71.86 -35.18 69.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.22 -0.445 . . . . 71.44 110.846 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 12.5 mmt85 -72.9 -48.8 34.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 74.53 110.896 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 650' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -56.98 -33.41 42.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 65.54 111.136 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 651' ' ' LEU . . . . . 0.824 HD12 HG23 ' A' ' 627' ' ' VAL . 3.6 mp -72.2 -40.69 67.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 73.14 110.877 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -54.45 -51.59 64.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 73.54 111.057 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 653' ' ' ALA . . . . . 0.425 ' HB2' ' OE1' ' A' ' 593' ' ' GLU . . . -72.18 -47.09 53.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.275 -0.42 . . . . 44.42 111.082 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 654' ' ' HIS . . . . . . . . . . . . . 63.6 t60 -53.82 -43.36 69.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 64.24 110.803 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -77.39 -47.08 20.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 45.54 111.096 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 71.5 t80 -53.99 -50.3 66.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 72.22 110.949 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 657' ' ' TRP . . . . . . . . . . . . . 68.3 m95 -71.06 -33.29 70.12 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.104 -0.498 . . . . 73.11 110.905 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 2.3 t -56.91 -32.56 66.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 64.34 110.888 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 659' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -56.97 -24.5 53.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 75.51 110.878 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -89.28 -46.4 8.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 63.42 110.953 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -134.95 148.83 50.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 73.4 110.932 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 662' ' ' GLY . . . . . . . . . . . . . . . -109.69 170.21 14.19 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.728 -0.748 . . . . 74.42 112.471 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -176.11 144.28 0.58 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.742 0.306 . . . . 75.54 110.956 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -137.33 170.25 16.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 54.32 110.949 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 665' ' ' HIS . . . . . . . . . . . . . 10.8 t60 -175.05 163.62 3.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 71.33 110.888 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 666' ' ' VAL . . . . . . . . . . . . . 23.5 m -93.99 -174.45 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 64.42 111.12 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -129.95 157.54 76.57 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.57 0.7 . . . . 73.03 110.864 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 668' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.85 -170.84 0.42 Allowed 'Trans proline' 0 C--O 1.233 0.229 0 C-N-CA 122.659 2.239 . . . . 65.14 112.309 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 669' ' ' LEU . . . . . . . . . . . . . 17.9 tp -128.35 159.5 35.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 63.13 110.86 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 670' ' ' LYS . . . . . . . . . . . . . 17.5 ptmt -120.75 179.76 4.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 74.41 110.877 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 671' ' ' ILE . . . . . . . . . . . . . 41.2 pt -139.9 -176.51 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 75.1 111.192 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 672' ' ' LEU . . . . . 0.581 HD13 ' N ' ' A' ' 673' ' ' ASP . 0.3 OUTLIER -123.57 133.28 53.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 73.42 110.86 179.932 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 673' ' ' ASP . . . . . 0.581 ' N ' HD13 ' A' ' 672' ' ' LEU . 75.5 m-20 -82.93 -63.41 1.37 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 73.2 110.864 179.782 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 674' ' ' ALA . . . . . 0.47 ' HB2' HD12 ' A' ' 672' ' ' LEU . . . 62.54 55.08 2.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 65.21 111.127 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 16.3 ptmt -93.46 176.38 6.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 74.13 110.915 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . -167.86 167.87 12.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 61.25 111.12 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -175.53 176.93 1.86 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 52.03 110.939 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 678' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.62 52.95 2.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 75.41 110.924 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 679' ' ' VAL . . . . . . . . . . . . . 27.6 m -69.58 -31.99 51.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 74.34 111.171 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 680' ' ' GLY . . . . . . . . . . . . . . . 171.36 -170.99 43.76 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.683 -0.77 . . . . 43.23 112.484 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 681' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-O 120.798 0.332 . . . . 72.43 111.087 -179.992 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 561' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 C--O 1.231 0.141 0 CA-C-O 120.873 0.28 . . . . 64.52 112.3 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 562' ' ' VAL . . . . . . . . . . . . . 64.3 t -121.17 82.61 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 62.21 111.163 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 563' ' ' ASN . . . . . . . . . . . . . 25.8 m-80 -144.07 105.7 4.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.088 -0.505 . . . . 71.15 110.866 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -151.47 110.39 3.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 73.33 110.9 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 565' ' ' LYS . . . . . . . . . . . . . 22.1 ttmt -157.71 110.99 2.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 72.3 110.887 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 1.8 p -119.2 111.22 17.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 63.11 110.868 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 567' ' ' LYS . . . . . . . . . . . . . 16.2 mmmt -117.04 -69.64 0.84 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 43.13 110.908 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 61.5 mmt-85 -79.32 97.66 6.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 74.3 110.873 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 4.1 m -101.29 125.46 47.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 61.13 110.848 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -152.46 119.95 6.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.105 -0.498 . . . . 64.14 110.874 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 3.5 pp -116.1 144.15 44.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 75.32 110.89 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 90.0 p -145.18 103.56 3.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 72.3 110.886 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 573' ' ' GLN . . . . . . . . . . . . . 19.8 mm-40 -89.85 -174.28 4.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 62.41 110.937 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 574' ' ' ARG . . . . . . . . . . . . . 84.0 mtm180 -95.58 25.42 4.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 71.15 110.863 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 28.2 mtp85 -144.32 178.99 7.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 75.53 110.867 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 576' ' ' ILE . . . . . . . . . . . . . 10.8 tp -102.42 -24.15 4.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 75.44 111.15 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 28.7 mmt180 -65.61 149.32 50.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 74.14 110.923 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 578' ' ' ARG . . . . . . . . . . . . . 13.5 mtp85 -119.96 160.0 44.62 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.607 0.718 . . . . 73.34 110.92 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.8 80.32 0.9 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.679 2.253 . . . . 64.23 112.311 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 580' ' ' PHE . . . . . . . . . . . . . 7.2 p90 -92.56 143.94 25.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 74.12 110.866 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 581' ' ' SER . . . . . 0.554 ' O ' HG23 ' A' ' 585' ' ' VAL . 1.5 m -109.74 178.78 4.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 63.23 110.943 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 582' ' ' VAL . . . . . 0.454 HG12 ' OE1' ' A' ' 586' ' ' GLU . 93.2 t -53.08 -39.14 31.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 75.32 111.159 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -69.42 -47.11 65.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.12 -0.491 . . . . 71.21 111.07 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 584' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -60.39 -54.89 40.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.453 . . . . 73.11 110.877 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 585' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 581' ' ' SER . 21.5 t -58.05 -34.2 48.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 53.32 111.171 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 586' ' ' GLU . . . . . 0.591 ' HG3' HD11 ' A' ' 646' ' ' LEU . 2.4 mt-10 -61.16 -51.51 68.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 62.53 110.899 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 587' ' ' ALA . . . . . . . . . . . . . . . -65.16 -29.5 70.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.48 . . . . 71.44 111.083 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 588' ' ' LEU . . . . . 0.642 HD21 ' HA ' ' A' ' 619' ' ' LEU . 0.2 OUTLIER -68.06 -55.07 13.86 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.234 -0.439 . . . . 74.25 110.898 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 589' ' ' VAL . . . . . 0.515 HG12 ' O ' ' A' ' 585' ' ' VAL . 7.4 p -69.01 -44.18 81.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 75.3 111.166 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 590' ' ' GLU . . . . . 0.454 ' N ' HG13 ' A' ' 589' ' ' VAL . 59.3 mt-10 -51.36 -48.04 62.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.455 . . . . 71.42 110.934 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 591' ' ' ALA . . . . . 0.495 ' HB3' HG13 ' A' ' 603' ' ' VAL . . . -67.89 -35.92 79.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.089 -0.505 . . . . 75.54 111.079 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 592' ' ' VAL . . . . . . . . . . . . . 15.3 t -69.88 -27.23 32.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 75.4 111.151 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 593' ' ' GLU . . . . . 0.476 ' OE2' ' HB2' ' A' ' 653' ' ' ALA . 1.0 OUTLIER -74.54 -36.45 63.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 64.43 110.877 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -85.91 -48.04 9.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 74.41 110.816 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 595' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -80.11 -24.4 40.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.261 -0.427 . . . . 62.24 110.897 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 596' ' ' GLY . . . . . . . . . . . . . . . 86.22 -171.41 44.16 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.652 -0.785 . . . . 64.01 112.397 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 5.4 p -98.77 32.47 2.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.801 0.334 . . . . 42.33 111.172 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 598' ' ' GLY . . . . . . . . . . . . . . . -134.27 4.19 4.48 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.696 -0.764 . . . . 55.43 112.531 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 599' ' ' ARG . . . . . 0.651 ' O ' HG23 ' A' ' 603' ' ' VAL . 42.1 mtt85 -133.84 84.29 2.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.856 0.36 . . . . 71.11 110.864 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 600' ' ' TRP . . . . . 0.563 ' HB3' HD11 ' A' ' 619' ' ' LEU . 9.7 m0 -69.62 -50.84 40.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 75.24 110.979 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 601' ' ' ARG . . . . . . . . . . . . . 24.3 ptt180 -53.4 -47.68 69.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 75.34 110.873 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 602' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -60.98 -39.5 89.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.293 -0.412 . . . . 73.34 110.882 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 603' ' ' VAL . . . . . 0.651 HG23 ' O ' ' A' ' 599' ' ' ARG . 32.9 t -59.1 -33.23 49.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 44.44 111.092 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 14.0 tptp -69.44 -45.35 69.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 62.24 110.977 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 605' ' ' MET . . . . . . . . . . . . . 29.3 mtt -72.38 -31.52 65.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 63.43 110.827 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 606' ' ' ARG . . . . . . . . . . . . . 17.7 tpp180 -78.23 -40.47 37.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.202 -0.454 . . . . 75.11 110.859 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -80.34 -70.49 0.52 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 52.43 111.076 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 608' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -72.18 123.88 23.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 72.33 110.914 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -73.68 -35.17 65.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 74.3 110.824 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 25.6 t30 -138.65 65.79 1.45 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 51.45 110.829 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 611' ' ' ALA . . . . . . . . . . . . . . . -69.38 -21.32 63.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 64.12 111.131 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 63.9 15.58 9.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 74.23 110.826 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 613' ' ' HIS . . . . . . . . . . . . . 3.5 p80 179.08 171.02 0.9 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 73.35 110.892 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 614' ' ' ARG . . . . . . . . . . . . . 41.2 ttp180 -111.39 101.43 9.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 71.03 110.88 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 615' ' ' THR . . . . . 0.439 HG22 ' H ' ' A' ' 616' ' ' TYR . 0.3 OUTLIER -102.56 167.73 9.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 61.52 111.131 -179.896 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 616' ' ' TYR . . . . . 0.439 ' H ' HG22 ' A' ' 615' ' ' THR . 10.4 p90 -140.63 -40.42 0.41 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 75.45 110.936 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 617' ' ' VAL . . . . . . . . . . . . . 10.1 p -70.84 -33.79 53.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 74.01 111.185 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 618' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.14 -51.87 67.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 74.31 110.816 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 619' ' ' LEU . . . . . 0.642 ' HA ' HD21 ' A' ' 588' ' ' LEU . 1.8 pp -74.7 -27.73 60.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.256 -0.429 . . . . 51.54 110.943 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 620' ' ' LYS . . . . . . . . . . . . . 21.3 ttpp -70.07 -35.95 74.59 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.205 -0.452 . . . . 73.41 110.854 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -71.5 -47.05 57.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 71.54 110.881 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.59 -30.37 71.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 73.5 110.904 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 623' ' ' TRP . . . . . . . . . . . . . 1.5 t90 -71.36 -55.03 8.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 71.35 110.969 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 4.7 tmtt? -50.62 -49.06 57.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 62.21 110.89 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 11.3 t -64.42 -30.96 71.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 61.35 111.08 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 626' ' ' LEU . . . . . 0.489 HD11 ' CG1' ' A' ' 585' ' ' VAL . 0.5 OUTLIER -62.85 -53.81 48.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.264 -0.425 . . . . 75.53 110.965 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 627' ' ' VAL . . . . . 0.573 ' O ' HD13 ' A' ' 632' ' ' ILE . 76.9 t -55.51 -53.95 30.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.102 -0.499 . . . . 75.41 111.133 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 628' ' ' HIS . . . . . 0.536 ' HA ' HD13 ' A' ' 632' ' ' ILE . 10.6 m80 -52.4 -35.77 52.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.168 -0.469 . . . . 74.32 110.868 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 629' ' ' THR . . . . . . . . . . . . . 26.4 m -67.66 -29.98 69.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 74.32 111.151 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 630' ' ' ALA . . . . . 0.668 ' HA ' HD13 ' A' ' 647' ' ' LEU . . . -53.69 -48.9 69.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 62.03 111.052 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 631' ' ' SER . . . . . 0.683 ' C ' HD12 ' A' ' 632' ' ' ILE . 1.1 p 168.66 67.27 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.244 -0.435 . . . . 72.03 110.893 -179.735 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 632' ' ' ILE . . . . . 0.683 HD12 ' C ' ' A' ' 631' ' ' SER . 2.3 mp -125.24 -77.04 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 64.43 111.133 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 633' ' ' ALA . . . . . 0.497 ' N ' HG22 ' A' ' 632' ' ' ILE . . . -104.38 133.34 20.26 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.582 0.706 . . . . 62.21 111.073 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 634' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -27.2 26.75 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.668 2.245 . . . . 74.24 112.367 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 635' ' ' GLN . . . . . . . . . . . . . 23.4 pt20 -77.64 -12.88 60.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.254 -0.43 . . . . 71.44 110.886 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 13.2 mm-40 -79.45 -11.03 59.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 74.21 110.967 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 637' ' ' ARG . . . . . . . . . . . . . 60.0 mtp180 -84.59 114.14 21.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.115 -0.493 . . . . 72.35 110.876 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 638' ' ' ARG . . . . . . . . . . . . . 1.8 tpp180 -84.88 -75.72 0.34 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.217 -0.447 . . . . 72.43 110.88 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 639' ' ' GLY . . . . . . . . . . . . . . . -177.35 -40.99 0.06 OUTLIER Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.768 -0.729 . . . . 75.03 112.457 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 640' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -50.96 137.07 26.83 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.668 0.746 . . . . 64.14 110.901 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.83 121.59 8.26 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.685 2.256 . . . . 73.2 112.368 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 642' ' ' VAL . . . . . . . . . . . . . 11.8 t -108.39 133.23 20.65 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.54 0.685 . . . . 72.13 111.165 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 128.7 16.41 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.696 2.264 . . . . 43.12 112.369 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -63.14 -19.7 64.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.25 -0.432 . . . . 50.35 110.874 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -62.78 -44.43 96.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 55.02 110.878 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 646' ' ' LEU . . . . . 0.591 HD11 ' HG3' ' A' ' 586' ' ' GLU . 43.7 mt -75.21 -44.89 43.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 75.43 110.937 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 647' ' ' LEU . . . . . 0.668 HD13 ' HA ' ' A' ' 630' ' ' ALA . 45.2 mt -62.13 -38.13 87.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 71.44 110.922 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -73.25 -30.77 63.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 73.43 110.863 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 14.1 mtt180 -73.64 -48.97 28.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 72.01 110.904 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 650' ' ' VAL . . . . . . . . . . . . . 1.4 p -61.5 -33.07 55.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 72.24 111.131 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 651' ' ' LEU . . . . . 0.531 ' CD1' ' HB1' ' A' ' 630' ' ' ALA . 15.4 mt -71.16 -39.74 71.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 72.21 110.898 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -68.52 -42.62 78.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 53.43 111.082 179.751 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 653' ' ' ALA . . . . . 0.476 ' HB2' ' OE2' ' A' ' 593' ' ' GLU . . . -71.61 -49.57 38.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.255 -0.429 . . . . 32.22 111.148 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 654' ' ' HIS . . . . . . . . . . . . . 17.3 t-80 -55.42 -45.19 76.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.283 -0.417 . . . . 75.13 110.828 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -71.25 -46.87 60.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.431 . . . . 43.34 111.065 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 75.6 t80 -56.46 -49.29 75.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 74.11 110.994 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 657' ' ' TRP . . . . . . . . . . . . . 68.0 m95 -70.15 -35.94 74.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.113 -0.494 . . . . 75.32 110.965 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 12.4 t -54.05 -37.12 63.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 70.32 110.841 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 659' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -57.01 -24.43 53.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.076 -0.511 . . . . 65.41 110.876 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 18.9 mm100 -125.47 39.78 3.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 71.5 110.928 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 42.5 tp60 -146.22 160.65 41.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 74.4 110.864 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 662' ' ' GLY . . . . . . . . . . . . . . . -103.88 -175.39 25.7 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.675 -0.774 . . . . 74.33 112.479 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 19.4 mtmt 52.22 71.36 0.47 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.685 0.279 . . . . 71.51 110.929 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.09 166.69 18.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 72.22 110.947 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 665' ' ' HIS . . . . . . . . . . . . . 47.8 m80 -108.19 -71.0 0.78 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.447 . . . . 75.2 110.78 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 666' ' ' VAL . . . . . . . . . . . . . 12.3 p -76.75 150.74 6.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 72.03 111.148 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.4 160.96 80.1 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.648 0.737 . . . . 72.1 110.867 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 668' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.69 -31.35 20.99 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.745 2.296 . . . . 72.01 112.289 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 669' ' ' LEU . . . . . . . . . . . . . 25.7 mt 62.31 17.57 9.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 75.52 110.95 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 670' ' ' LYS . . . . . . . . . . . . . 55.1 tttm -148.77 154.03 38.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.164 -0.471 . . . . 72.43 110.891 179.773 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 671' ' ' ILE . . . . . . . . . . . . . 28.2 pt -61.86 145.49 13.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 63.51 111.1 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -115.29 172.77 6.88 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.173 -0.467 . . . . 63.53 110.943 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 673' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -174.97 140.86 0.55 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.152 -0.476 . . . . 63.22 110.861 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -178.64 141.53 0.21 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 63.4 111.123 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.11 115.45 0.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 52.41 110.818 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . -136.4 123.88 22.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.478 . . . . 72.14 111.123 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -173.86 150.56 1.67 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 54.4 110.914 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 678' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -118.2 135.52 54.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.222 -0.444 . . . . 63.43 110.959 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 679' ' ' VAL . . . . . . . . . . . . . 8.4 p -142.53 132.06 22.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 72.41 111.115 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 680' ' ' GLY . . . . . . . . . . . . . . . -129.48 134.19 7.83 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.776 -0.726 . . . . 74.35 112.487 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 681' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-O 120.742 0.306 . . . . 63.11 111.098 179.976 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 561' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 N--CA 1.465 -0.168 0 CA-C-O 120.828 0.262 . . . . 72.24 112.361 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 562' ' ' VAL . . . . . . . . . . . . . 9.2 m -111.12 -27.65 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.271 -0.422 . . . . 71.34 111.124 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 563' ' ' ASN . . . . . . . . . . . . . 6.4 p-10 40.94 40.67 1.06 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.485 . . . . 75.25 110.928 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -96.29 113.23 24.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 75.34 110.928 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 565' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.62 107.62 18.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 53.21 110.854 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 3.6 p -99.5 116.24 31.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 74.13 110.851 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 567' ' ' LYS . . . . . . . . . . . . . 26.5 tttp -125.0 85.02 2.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 63.31 110.81 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 15.7 ptp180 -141.26 -177.15 4.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 64.14 110.894 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 2.1 t -88.15 139.63 30.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 51.4 110.845 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -123.0 43.71 2.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.121 -0.491 . . . . 71.51 110.9 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 17.3 mt -116.81 134.83 54.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 35.53 110.966 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 37.3 p -79.25 159.76 27.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 71.25 110.908 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 573' ' ' GLN . . . . . . . . . . . . . 45.3 mm-40 -64.72 106.55 1.22 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 74.5 110.862 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 574' ' ' ARG . . . . . . . . . . . . . 74.6 mtm-85 -132.11 173.96 10.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 65.1 110.887 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 16.4 ttp180 -119.91 164.35 16.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 74.4 110.837 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 576' ' ' ILE . . . . . . . . . . . . . 5.3 mp -94.61 -55.83 5.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 71.21 111.181 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 35.4 ttm180 -70.28 108.25 4.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 54.14 110.919 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 578' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -88.13 160.19 46.5 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.629 0.728 . . . . 75.2 110.902 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -170.92 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.788 2.325 . . . . 73.13 112.302 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 580' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -86.96 144.22 27.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 63.21 110.868 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 581' ' ' SER . . . . . 0.429 ' O ' HG23 ' A' ' 585' ' ' VAL . 74.1 m -73.99 160.77 30.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 71.54 110.818 -179.793 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 582' ' ' VAL . . . . . . . . . . . . . 29.3 m -53.41 -34.31 22.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 75.32 111.116 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -64.0 -46.11 86.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 73.33 111.106 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 584' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -71.22 -47.97 54.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.177 -0.465 . . . . 73.42 110.872 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 585' ' ' VAL . . . . . 0.439 ' CG1' HD11 ' A' ' 626' ' ' LEU . 98.4 t -54.52 -34.71 29.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 71.24 111.155 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -53.25 -48.73 67.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 72.12 110.872 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 587' ' ' ALA . . . . . 0.76 ' HB1' ' HA ' ' A' ' 607' ' ' ALA . . . -58.78 -43.54 90.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 64.34 111.102 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 588' ' ' LEU . . . . . 0.569 HD13 ' O ' ' A' ' 588' ' ' LEU . 2.1 tm? -55.53 -46.83 77.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 73.44 110.917 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 589' ' ' VAL . . . . . 0.444 ' HA ' HG12 ' A' ' 592' ' ' VAL . 29.0 t -71.64 -55.87 12.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 72.31 111.119 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -53.0 -30.53 35.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 73.41 110.861 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 591' ' ' ALA . . . . . 0.473 ' HB2' ' HG3' ' A' ' 606' ' ' ARG . . . -76.11 -48.78 19.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.131 -0.486 . . . . 44.1 111.116 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 592' ' ' VAL . . . . . 0.735 HG11 ' CE3' ' A' ' 623' ' ' TRP . 9.3 p -74.13 -22.26 18.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 72.32 111.149 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -72.33 -42.76 65.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 72.41 110.883 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 4.7 t-80 -82.54 -44.78 15.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 70.31 110.828 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 595' ' ' LEU . . . . . 0.482 HD13 ' HB3' ' A' ' 602' ' ' ASP . 8.3 mt -79.85 -18.05 51.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 75.14 110.927 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 596' ' ' GLY . . . . . . . . . . . . . . . 85.42 -179.77 50.55 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.819 -0.705 . . . . 62.54 112.509 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 2.6 p -92.72 27.9 2.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.844 0.354 . . . . 73.24 111.129 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 598' ' ' GLY . . . . . . . . . . . . . . . -126.21 -5.43 6.16 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.777 -0.725 . . . . 54.43 112.499 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 599' ' ' ARG . . . . . 0.685 ' O ' HG23 ' A' ' 603' ' ' VAL . 0.0 OUTLIER -123.33 79.78 1.71 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.762 0.315 . . . . 53.54 110.889 -179.815 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 600' ' ' TRP . . . . . 0.635 ' HB3' HD11 ' A' ' 619' ' ' LEU . 5.0 m0 -69.68 -43.04 73.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.243 -0.435 . . . . 75.11 110.884 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 601' ' ' ARG . . . . . . . . . . . . . 18.6 ttm180 -52.76 -49.09 66.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.274 -0.421 . . . . 71.41 110.914 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 602' ' ' ASP . . . . . 0.482 ' HB3' HD13 ' A' ' 595' ' ' LEU . 7.8 m-20 -66.78 -31.51 72.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 72.11 110.847 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 603' ' ' VAL . . . . . 0.685 HG23 ' O ' ' A' ' 599' ' ' ARG . 40.2 t -65.85 -35.79 75.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 72.41 111.078 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 16.8 tptp -69.07 -46.33 68.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 70.2 110.911 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 605' ' ' MET . . . . . . . . . . . . . 11.8 mmm -72.48 -31.46 65.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 73.34 110.932 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 606' ' ' ARG . . . . . 0.473 ' HG3' ' HB2' ' A' ' 591' ' ' ALA . 18.5 tpp180 -77.09 -40.34 46.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 72.12 110.825 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 607' ' ' ALA . . . . . 0.76 ' HA ' ' HB1' ' A' ' 587' ' ' ALA . . . -80.81 -66.86 0.83 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.286 -0.415 . . . . 62.12 111.125 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 608' ' ' PHE . . . . . 0.47 ' HB2' ' HB2' ' A' ' 611' ' ' ALA . 69.2 m-85 -71.05 124.73 25.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 74.14 110.909 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -71.94 -34.27 68.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.076 -0.511 . . . . 73.4 110.85 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 23.9 m120 -125.72 75.82 1.52 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 61.21 110.935 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 611' ' ' ALA . . . . . 0.47 ' HB2' ' HB2' ' A' ' 608' ' ' PHE . . . -107.16 84.4 1.97 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 43.42 111.02 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 47.2 m-20 -51.67 -55.25 20.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 45.24 110.912 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 613' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -97.56 126.73 43.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.166 -0.47 . . . . 73.23 110.789 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 614' ' ' ARG . . . . . . . . . . . . . 11.1 mtp180 -72.18 102.98 3.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 72.42 110.862 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 615' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.43 158.16 16.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 75.43 111.126 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 616' ' ' TYR . . . . . . . . . . . . . 15.7 p90 -128.56 -37.93 1.76 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 74.13 110.92 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 617' ' ' VAL . . . . . . . . . . . . . 10.5 p -69.01 -33.38 58.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.082 -0.508 . . . . 50.21 111.138 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 618' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.07 -51.18 67.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 74.51 110.835 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 619' ' ' LEU . . . . . 0.635 HD11 ' HB3' ' A' ' 600' ' ' TRP . 3.6 pp -73.07 -37.87 66.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 75.52 110.933 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 620' ' ' LYS . . . . . 0.513 ' N ' HD12 ' A' ' 619' ' ' LEU . 0.6 OUTLIER -66.63 -33.6 76.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 60.43 110.894 179.832 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -68.35 -49.3 61.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 74.23 110.842 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.63 -43.97 80.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 72.53 110.835 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 623' ' ' TRP . . . . . 0.735 ' CE3' HG11 ' A' ' 592' ' ' VAL . 14.6 t-105 -64.34 -45.18 88.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 71.41 110.903 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -49.33 -51.49 34.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 73.2 110.896 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 11.2 t -72.22 -27.32 62.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.246 -0.434 . . . . 70.44 111.191 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 626' ' ' LEU . . . . . 0.752 HD22 HG21 ' A' ' 650' ' ' VAL . 0.4 OUTLIER -63.05 -55.58 24.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 74.23 110.925 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 627' ' ' VAL . . . . . 0.648 ' O ' HD13 ' A' ' 632' ' ' ILE . 4.1 p -59.92 -44.7 95.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 70.44 111.103 179.804 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 628' ' ' HIS . . . . . 0.426 ' N ' HG13 ' A' ' 627' ' ' VAL . 3.3 m170 -60.19 -26.84 66.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 54.52 110.851 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 629' ' ' THR . . . . . . . . . . . . . 17.4 m -77.46 -29.45 52.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.173 -0.467 . . . . 75.1 111.206 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 630' ' ' ALA . . . . . 0.591 ' HA ' HD13 ' A' ' 647' ' ' LEU . . . -53.13 -48.27 68.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 64.34 111.075 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 631' ' ' SER . . . . . 0.732 ' C ' HD12 ' A' ' 632' ' ' ILE . 0.4 OUTLIER 172.66 67.66 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 52.43 110.858 -179.799 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 632' ' ' ILE . . . . . 0.732 HD12 ' C ' ' A' ' 631' ' ' SER . 2.3 mp -130.75 -73.7 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 71.33 111.106 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 633' ' ' ALA . . . . . 0.556 ' HB3' ' CG ' ' A' ' 636' ' ' GLN . . . -103.11 139.22 19.91 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.546 0.688 . . . . 55.4 111.135 179.82 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 634' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.65 -39.1 7.13 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.685 2.257 . . . . 73.45 112.39 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 635' ' ' GLN . . . . . . . . . . . . . 27.9 pt20 -73.46 -13.34 61.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 73.1 110.942 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 636' ' ' GLN . . . . . 0.556 ' CG ' ' HB3' ' A' ' 633' ' ' ALA . 84.2 mm-40 -80.47 -28.89 37.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 63.43 110.961 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 637' ' ' ARG . . . . . . . . . . . . . 24.7 ttp180 -84.57 113.64 21.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 71.14 110.851 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 638' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.1 -169.81 0.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 74.13 110.887 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 639' ' ' GLY . . . . . . . . . . . . . . . 66.22 -158.93 47.83 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.778 -0.725 . . . . 71.21 112.491 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 640' ' ' GLU . . . . . . . . . . . . . 2.7 pm0 -51.92 153.34 4.57 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.629 0.728 . . . . 75.41 110.882 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.66 122.12 8.83 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.778 2.319 . . . . 71.14 112.319 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 642' ' ' VAL . . . . . 0.648 HG21 HD11 ' A' ' 647' ' ' LEU . 12.1 m -95.43 139.19 21.87 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.571 0.701 . . . . 70.53 111.115 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 128.78 16.59 Favored 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.713 2.275 . . . . 55.53 112.428 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -62.18 -18.57 61.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 61.44 110.868 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -65.58 -42.48 91.7 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.22 -0.446 . . . . 64.13 110.904 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 646' ' ' LEU . . . . . 0.652 ' O ' HG23 ' A' ' 650' ' ' VAL . 38.6 mt -74.31 -48.82 25.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 73.21 110.835 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 647' ' ' LEU . . . . . 0.648 HD11 HG21 ' A' ' 642' ' ' VAL . 55.9 mt -54.09 -41.31 68.11 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.219 -0.446 . . . . 52.23 110.967 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -64.55 -49.64 70.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 70.3 110.821 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 649' ' ' ARG . . . . . 0.421 ' O ' ' HB3' ' A' ' 652' ' ' ALA . 3.4 mmm180 -62.55 -39.77 94.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 72.31 110.863 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 650' ' ' VAL . . . . . 0.752 HG21 HD22 ' A' ' 626' ' ' LEU . 75.2 t -58.78 -51.37 72.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 63.23 111.106 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 651' ' ' LEU . . . . . 0.541 HD23 HG23 ' A' ' 627' ' ' VAL . 14.4 mt -61.37 -25.35 67.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 64.53 110.895 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 652' ' ' ALA . . . . . 0.603 ' HA ' HG23 ' A' ' 671' ' ' ILE . . . -64.99 -51.76 59.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 72.53 111.092 179.796 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 653' ' ' ALA . . . . . 0.476 ' HB3' ' CH2' ' A' ' 623' ' ' TRP . . . -72.07 -44.54 63.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 63.45 111.091 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 654' ' ' HIS . . . . . 0.547 ' CG ' HG21 ' A' ' 627' ' ' VAL . 13.7 t-80 -54.12 -44.69 71.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.311 -0.404 . . . . 63.21 110.879 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -77.51 -47.11 20.4 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.155 -0.475 . . . . 60.02 111.069 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -54.03 -50.38 66.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 74.43 110.883 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 657' ' ' TRP . . . . . . . . . . . . . 69.2 m95 -71.05 -32.75 69.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.165 -0.471 . . . . 65.23 110.919 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 2.4 t -56.57 -35.26 67.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.271 -0.422 . . . . 75.31 110.873 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 659' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -57.47 -26.22 60.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 72.3 110.904 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 14.9 mm-40 -92.01 -59.88 2.0 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 74.2 110.931 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -74.29 -176.3 2.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 74.41 110.938 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 662' ' ' GLY . . . . . . . . . . . . . . . -62.62 -166.28 0.59 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.73 -0.748 . . . . 74.11 112.445 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.19 179.46 8.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.676 0.274 . . . . 74.04 110.914 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 664' ' ' GLN . . . . . 0.719 ' O ' HG12 ' A' ' 666' ' ' VAL . 13.2 mm100 -151.55 179.26 8.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.27 -0.423 . . . . 72.24 110.905 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 665' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -52.37 107.3 0.2 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 72.41 110.826 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 666' ' ' VAL . . . . . 0.719 HG12 ' O ' ' A' ' 664' ' ' GLN . 7.2 p -172.8 144.84 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.226 -0.443 . . . . 41.13 111.142 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -80.89 160.55 66.08 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.629 0.728 . . . . 73.51 110.932 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 668' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 173.69 10.6 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.716 2.277 . . . . 70.2 112.317 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 669' ' ' LEU . . . . . . . . . . . . . 2.0 tp -174.22 157.25 2.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 75.23 110.886 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 670' ' ' LYS . . . . . . . . . . . . . 8.0 mmmm -88.92 139.03 30.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.49 . . . . 63.32 110.887 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 671' ' ' ILE . . . . . 0.603 HG23 ' HA ' ' A' ' 652' ' ' ALA . 65.9 mt -101.56 145.28 11.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.458 . . . . 74.34 111.157 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 9.4 tp -119.56 146.17 45.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 71.23 110.94 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 673' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -155.47 161.34 40.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 64.41 110.886 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -145.21 168.01 21.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 42.02 111.099 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 14.2 ttmt -137.15 113.05 9.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 73.23 110.884 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . -83.75 148.21 27.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 73.0 111.037 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -109.77 -179.5 3.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 62.34 110.897 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 678' ' ' LYS . . . . . . . . . . . . . 22.4 tptt -167.3 141.3 3.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 64.14 110.861 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 679' ' ' VAL . . . . . . . . . . . . . 14.4 p -100.29 147.37 7.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 74.41 111.187 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 680' ' ' GLY . . . . . . . . . . . . . . . -109.17 -69.59 0.64 Allowed Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.753 -0.737 . . . . 61.44 112.415 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 681' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.34 0 CA-C-O 120.74 0.305 . . . . 64.5 111.032 -179.963 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 561' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.766 0.236 . . . . 75.43 112.383 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 562' ' ' VAL . . . . . . . . . . . . . 7.3 m -151.84 113.81 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 73.45 111.151 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 563' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -129.74 80.71 1.98 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.142 -0.481 . . . . 71.03 110.861 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -56.32 123.17 13.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 71.4 110.923 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 565' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.77 100.08 9.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 74.02 110.95 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 24.0 p -121.37 120.06 33.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 53.52 110.823 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 567' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.67 168.09 20.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.091 -0.504 . . . . 63.13 110.834 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 16.2 ptt180 -132.43 178.23 6.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 72.23 110.845 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 19.7 m -104.0 137.16 42.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.211 -0.449 . . . . 75.34 110.831 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -95.15 138.57 32.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 70.31 110.921 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 13.6 mt -91.03 123.58 34.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 73.13 110.936 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 11.9 t -88.63 -178.27 5.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 61.43 110.853 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 573' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -114.66 -38.58 3.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 75.2 110.903 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 574' ' ' ARG . . . . . . . . . . . . . 49.4 mtm180 -81.92 143.53 31.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 62.41 110.875 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 72.3 mtp85 -151.98 53.01 0.81 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 63.21 110.842 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 576' ' ' ILE . . . . . . . . . . . . . 6.8 pt -135.0 138.57 48.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 63.12 111.105 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 13.6 mmt180 -145.4 -175.74 4.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 73.13 110.892 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 578' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -105.27 155.54 37.66 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.569 0.699 . . . . 65.43 110.91 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.82 83.38 0.71 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.601 2.2 . . . . 74.22 112.377 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 580' ' ' PHE . . . . . . . . . . . . . 10.1 p90 -92.36 140.74 29.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 72.11 110.972 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 41.2 m -109.03 -179.39 3.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 64.24 110.878 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 582' ' ' VAL . . . . . . . . . . . . . 14.0 m -51.77 -37.57 20.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 73.31 111.141 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -69.03 -43.68 74.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 62.44 111.088 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 584' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -65.82 -55.24 18.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 74.11 110.843 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 585' ' ' VAL . . . . . 0.628 HG22 ' HE3' ' A' ' 622' ' ' LYS . 80.6 t -54.68 -34.03 28.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.475 . . . . 72.44 111.149 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 586' ' ' GLU . . . . . 0.525 ' HG2' HD21 ' A' ' 646' ' ' LEU . 34.0 mt-10 -56.3 -38.93 71.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 72.51 110.889 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 587' ' ' ALA . . . . . . . . . . . . . . . -68.16 -34.12 75.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.108 -0.496 . . . . 61.42 111.054 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 588' ' ' LEU . . . . . 0.445 HD13 ' C ' ' A' ' 588' ' ' LEU . 2.2 tm? -68.68 -55.0 12.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 74.34 110.832 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 589' ' ' VAL . . . . . 1.016 HG11 HD22 ' A' ' 646' ' ' LEU . 4.2 p -62.71 -48.27 88.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 55.12 111.141 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 590' ' ' GLU . . . . . 0.495 ' N ' HG13 ' A' ' 589' ' ' VAL . 63.0 mt-10 -58.66 -30.27 67.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 45.53 110.896 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -73.87 -43.91 57.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 75.14 111.037 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 592' ' ' VAL . . . . . 0.43 HG12 ' HA ' ' A' ' 589' ' ' VAL . 7.2 p -75.94 -25.85 17.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 74.02 111.097 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.32 -41.96 65.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 75.35 110.898 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 64.4 t-80 -84.54 -46.63 11.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 75.1 110.898 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 595' ' ' LEU . . . . . 0.659 HD22 ' HB3' ' A' ' 602' ' ' ASP . 9.6 mt -79.49 -15.97 56.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 74.35 110.909 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 596' ' ' GLY . . . . . . . . . . . . . . . 79.15 165.31 29.45 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.772 -0.728 . . . . 73.43 112.452 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 16.9 p -72.94 -7.0 49.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.824 0.345 . . . . 74.35 111.086 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 598' ' ' GLY . . . . . . . . . . . . . . . -98.62 18.18 57.3 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.748 -0.739 . . . . 64.53 112.449 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 599' ' ' ARG . . . . . 0.657 ' O ' HG23 ' A' ' 603' ' ' VAL . 38.5 mtt85 -137.87 64.76 1.5 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.801 0.334 . . . . 75.4 110.873 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 600' ' ' TRP . . . . . . . . . . . . . 21.4 m0 -59.85 -50.77 72.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.163 -0.471 . . . . 65.23 110.891 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 601' ' ' ARG . . . . . . . . . . . . . 15.4 ptt180 -53.29 -46.74 69.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 64.51 110.849 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 602' ' ' ASP . . . . . 0.659 ' HB3' HD22 ' A' ' 595' ' ' LEU . 2.2 m-20 -63.25 -34.53 77.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 73.2 110.871 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 603' ' ' VAL . . . . . 0.766 HG11 HD13 ' A' ' 619' ' ' LEU . 66.9 t -65.34 -31.94 56.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 74.5 111.153 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.92 -49.33 59.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 75.51 110.865 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 605' ' ' MET . . . . . . . . . . . . . 19.0 ptp -73.32 -31.31 63.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.275 -0.421 . . . . 74.44 110.854 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 606' ' ' ARG . . . . . 0.657 ' CB ' HD11 ' A' ' 595' ' ' LEU . 18.7 tpp85 -71.82 -41.01 68.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 75.34 110.878 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -92.02 -69.91 0.72 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 54.13 111.106 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 608' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -70.78 125.33 26.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 75.42 110.869 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -71.61 -34.0 69.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 64.11 110.857 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 57.8 m-80 -105.49 76.54 1.22 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 63.13 110.833 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 611' ' ' ALA . . . . . . . . . . . . . . . -127.37 99.48 5.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.478 . . . . 73.11 111.139 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -129.11 -66.63 0.81 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 74.54 110.848 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 613' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -110.69 29.27 7.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 71.31 110.892 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 614' ' ' ARG . . . . . . . . . . . . . 2.7 tpm_? -97.42 156.27 16.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 74.33 110.885 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 615' ' ' THR . . . . . 0.53 ' OG1' HG12 ' A' ' 617' ' ' VAL . 4.6 t -74.67 158.16 34.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 65.53 111.125 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 616' ' ' TYR . . . . . . . . . . . . . 14.0 p90 -91.61 -18.72 23.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 72.35 110.926 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 617' ' ' VAL . . . . . 0.53 HG12 ' OG1' ' A' ' 615' ' ' THR . 12.7 p -51.35 -32.88 13.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 55.23 111.149 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 618' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.16 -50.93 71.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 64.12 110.842 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 619' ' ' LEU . . . . . 0.766 HD13 HG11 ' A' ' 603' ' ' VAL . 0.9 OUTLIER -75.15 -28.67 60.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.16 -0.473 . . . . 61.02 110.884 -179.91 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 620' ' ' LYS . . . . . . . . . . . . . 3.7 ttpm? -70.6 -35.39 72.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.247 -0.433 . . . . 70.4 110.865 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -71.86 -48.81 43.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 74.44 110.82 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 622' ' ' LYS . . . . . 0.628 ' HE3' HG22 ' A' ' 585' ' ' VAL . 1.0 OUTLIER -55.14 -44.03 74.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 45.13 110.865 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 623' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -67.88 -47.59 68.45 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.275 -0.42 . . . . 74.43 110.905 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 6.6 tttp -56.34 -55.28 35.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 73.34 110.889 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 12.8 t -60.73 -30.9 70.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 71.41 111.168 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 626' ' ' LEU . . . . . 0.523 HD11 HG13 ' A' ' 585' ' ' VAL . 3.4 mt -65.0 -47.28 78.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 74.2 110.952 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 627' ' ' VAL . . . . . 0.69 ' O ' HD13 ' A' ' 632' ' ' ILE . 87.7 t -58.63 -55.06 25.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.244 -0.434 . . . . 55.13 111.15 179.803 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 628' ' ' HIS . . . . . 0.423 ' HA ' ' HB ' ' A' ' 632' ' ' ILE . 23.4 m80 -52.81 -33.91 51.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 70.13 110.844 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 629' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -79.31 -28.81 42.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 71.34 111.225 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 630' ' ' ALA . . . . . 0.645 ' HA ' HD13 ' A' ' 647' ' ' LEU . . . -51.81 -49.66 62.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 73.41 111.052 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 631' ' ' SER . . . . . 0.732 ' C ' HD12 ' A' ' 632' ' ' ILE . 13.1 t 173.66 67.12 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 32.43 110.881 -179.816 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 632' ' ' ILE . . . . . 0.732 HD12 ' C ' ' A' ' 631' ' ' SER . 2.7 mp -135.35 -74.39 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.063 -0.517 . . . . 70.11 111.127 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 633' ' ' ALA . . . . . 0.605 ' HB3' ' HB2' ' A' ' 636' ' ' GLN . . . -103.06 143.89 27.53 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.558 0.694 . . . . 41.53 111.126 179.788 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 634' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -47.88 0.85 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.766 2.311 . . . . 74.43 112.363 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 635' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -72.43 -13.67 61.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.213 -0.448 . . . . 73.1 110.897 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 636' ' ' GLN . . . . . 0.605 ' HB2' ' HB3' ' A' ' 633' ' ' ALA . 51.8 mm-40 -81.05 0.33 36.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 75.54 110.884 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 637' ' ' ARG . . . . . . . . . . . . . 48.8 ttp180 -76.1 113.82 14.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.273 -0.422 . . . . 74.21 110.846 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 638' ' ' ARG . . . . . . . . . . . . . 1.5 mmt-85 -52.67 132.32 35.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.231 -0.44 . . . . 72.15 110.881 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 639' ' ' GLY . . . . . . . . . . . . . . . -59.37 -19.88 48.75 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.786 -0.721 . . . . 45.04 112.458 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 640' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -93.27 160.08 34.03 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-O 121.608 0.718 . . . . 73.4 110.882 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 123.25 9.91 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.627 2.218 . . . . 71.44 112.419 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 642' ' ' VAL . . . . . 0.81 HG21 HD11 ' A' ' 647' ' ' LEU . 4.5 m -114.45 139.66 24.19 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.508 0.67 . . . . 73.13 111.191 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 128.5 16.11 Favored 'Trans proline' 0 C--N 1.34 0.131 0 C-N-CA 122.694 2.263 . . . . 75.11 112.31 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -66.4 -17.93 65.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.443 . . . . 74.2 110.863 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -69.02 -40.18 78.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 72.42 110.857 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 646' ' ' LEU . . . . . 1.016 HD22 HG11 ' A' ' 589' ' ' VAL . 44.0 mt -73.44 -53.84 9.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 75.12 110.923 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 647' ' ' LEU . . . . . 0.81 HD11 HG21 ' A' ' 642' ' ' VAL . 40.9 mt -53.2 -32.59 48.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.249 -0.432 . . . . 73.31 110.865 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -69.95 -46.75 64.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 63.31 110.894 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 20.2 mmt180 -65.82 -40.67 92.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 63.5 110.839 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 650' ' ' VAL . . . . . 0.652 ' CG1' HG22 ' A' ' 627' ' ' VAL . 70.0 t -57.56 -48.24 83.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 71.3 111.126 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 651' ' ' LEU . . . . . 0.439 HD11 ' HB3' ' A' ' 631' ' ' SER . 22.0 mt -65.74 -28.75 69.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 72.13 110.93 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -67.59 -48.8 65.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 40.41 111.106 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -73.25 -44.83 58.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.261 -0.427 . . . . 60.43 111.068 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 654' ' ' HIS . . . . . . . . . . . . . 62.6 t60 -53.08 -47.6 68.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.258 -0.428 . . . . 73.42 110.856 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -70.17 -45.24 67.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 53.23 111.125 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 72.5 t80 -55.7 -50.07 71.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 65.32 110.878 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 657' ' ' TRP . . . . . . . . . . . . . 58.5 m95 -70.24 -37.19 74.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.071 -0.513 . . . . 75.05 110.924 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 2.8 t -56.05 -32.46 64.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 71.45 110.843 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 659' ' ' GLN . . . . . . . . . . . . . 40.7 tt0 -58.95 -23.21 61.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 72.33 110.973 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 59.26 57.68 3.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 61.01 110.935 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -61.54 -172.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.426 . . . . 65.22 110.887 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 662' ' ' GLY . . . . . . . . . . . . . . . -56.39 100.28 0.1 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.699 -0.762 . . . . 44.12 112.532 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 28.3 pttt -173.99 -171.58 0.65 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.751 0.31 . . . . 72.13 110.884 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -98.07 -176.44 3.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 73.31 110.93 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 665' ' ' HIS . . . . . . . . . . . . . 8.0 p-80 -144.5 -176.93 5.24 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.168 -0.469 . . . . 71.21 110.828 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 666' ' ' VAL . . . . . . . . . . . . . 10.1 p -147.71 152.27 12.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 72.53 111.129 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -111.9 157.21 40.26 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.642 0.734 . . . . 65.41 110.924 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 668' ' ' PRO . . . . . 0.611 ' C ' HD13 ' A' ' 669' ' ' LEU . 54.2 Cg_endo -69.75 -171.01 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.69 2.26 . . . . 73.53 112.329 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 669' ' ' LEU . . . . . 0.611 HD13 ' C ' ' A' ' 668' ' ' PRO . 0.0 OUTLIER -156.32 169.61 24.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 72.41 110.929 179.94 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 670' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -126.9 155.19 43.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 75.33 110.85 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 671' ' ' ILE . . . . . . . . . . . . . 13.7 tt -126.37 150.89 32.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 71.44 111.123 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 9.1 tp -96.14 161.33 14.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 64.45 110.883 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 673' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -141.19 -179.59 6.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 63.44 110.842 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -143.68 179.14 7.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 74.41 111.136 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 22.2 tptm -168.27 151.38 5.61 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.262 -0.426 . . . . 75.2 110.943 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . -139.81 178.3 7.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 70.43 111.134 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 677' ' ' GLN . . . . . 0.434 ' NE2' ' H ' ' A' ' 679' ' ' VAL . 0.1 OUTLIER -122.72 162.85 21.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 74.41 110.887 -179.91 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 678' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 679' ' ' VAL . 34.6 ttpt -58.99 -31.16 68.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 75.24 110.884 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 679' ' ' VAL . . . . . 0.434 ' H ' ' NE2' ' A' ' 677' ' ' GLN . 27.0 m 36.95 44.16 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.241 -0.436 . . . . 70.33 111.135 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 680' ' ' GLY . . . . . . . . . . . . . . . -102.19 -159.78 26.27 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.748 -0.739 . . . . 62.42 112.471 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 681' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.323 0 CA-C-O 120.789 0.328 . . . . 62.12 111.093 179.976 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 561' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.161 0 CA-C-O 120.851 0.271 . . . . 72.13 112.376 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 562' ' ' VAL . . . . . . . . . . . . . 60.1 t -145.54 110.53 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 64.33 111.205 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 563' ' ' ASN . . . . . . . . . . . . . 7.9 p-10 -140.42 134.67 31.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 74.23 110.859 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -143.9 154.32 43.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.495 . . . . 71.05 110.89 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 565' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.42 127.08 2.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.267 -0.424 . . . . 64.3 110.924 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 20.3 p -126.91 113.56 16.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 74.01 110.9 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 567' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.6 -173.71 2.27 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.088 -0.505 . . . . 71.12 110.906 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 2.5 mpp_? -136.36 93.42 2.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 63.14 110.896 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 14.0 m -98.13 113.58 25.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 75.03 110.799 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -173.67 113.58 0.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 70.51 110.884 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 571' ' ' LEU . . . . . 0.608 ' O ' HD12 ' A' ' 571' ' ' LEU . 0.9 OUTLIER -163.15 150.42 12.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.104 -0.498 . . . . 63.21 110.862 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 2.2 m -156.16 132.35 9.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.482 . . . . 62.43 110.858 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 573' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -154.21 134.41 13.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 73.45 110.93 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 574' ' ' ARG . . . . . . . . . . . . . 67.1 mtt-85 -60.35 158.08 12.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.205 -0.452 . . . . 70.42 110.939 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 5.6 ptp85 -55.31 130.62 43.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 53.4 110.904 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 576' ' ' ILE . . . . . . . . . . . . . 39.2 mm -104.52 127.04 59.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 71.32 111.104 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 51.3 mmm-85 -90.62 -59.25 2.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.164 -0.471 . . . . 72.03 110.861 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 578' ' ' ARG . . . . . . . . . . . . . 10.7 mpt_? -118.03 160.15 40.12 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.626 0.727 . . . . 71.15 110.863 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -30.94 21.64 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.693 2.262 . . . . 75.11 112.422 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 580' ' ' PHE . . . . . . . . . . . . . 36.4 p90 -92.64 131.54 37.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 74.02 110.868 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 581' ' ' SER . . . . . 0.752 ' O ' HG12 ' A' ' 585' ' ' VAL . 14.8 m -87.35 158.06 19.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.08 -0.509 . . . . 73.22 110.878 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 582' ' ' VAL . . . . . 0.617 HG13 ' HG3' ' A' ' 643' ' ' PRO . 87.9 t -51.5 -38.92 21.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.12 -0.491 . . . . 73.54 111.065 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -72.06 -32.6 67.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 74.52 111.108 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 584' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -75.28 -56.39 4.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 72.52 110.922 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 585' ' ' VAL . . . . . 0.752 HG12 ' O ' ' A' ' 581' ' ' SER . 2.3 p -54.16 -32.85 23.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 71.43 111.138 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -50.08 -30.45 10.97 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.189 -0.46 . . . . 64.42 110.848 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 587' ' ' ALA . . . . . 0.47 ' HB1' ' HA ' ' A' ' 607' ' ' ALA . . . -75.54 -40.52 56.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 64.51 111.099 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 588' ' ' LEU . . . . . 0.488 ' O ' HG23 ' A' ' 592' ' ' VAL . 2.3 tm? -53.3 -54.78 31.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.278 -0.419 . . . . 72.23 110.959 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 589' ' ' VAL . . . . . 0.491 HG23 ' CZ3' ' A' ' 623' ' ' TRP . 7.6 p -67.48 -44.11 86.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.172 -0.467 . . . . 62.33 111.119 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 590' ' ' GLU . . . . . 0.451 ' N ' HG13 ' A' ' 589' ' ' VAL . 6.2 mm-40 -53.77 -47.2 70.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 62.53 110.881 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 591' ' ' ALA . . . . . 0.623 ' HB3' HG13 ' A' ' 603' ' ' VAL . . . -66.24 -35.87 81.55 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.183 -0.462 . . . . 60.13 111.126 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 592' ' ' VAL . . . . . 0.492 HG11 ' CE3' ' A' ' 623' ' ' TRP . 65.1 t -74.32 -24.84 19.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 74.21 111.092 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -72.6 -41.28 65.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 71.21 110.954 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 14.7 t-160 -86.79 -46.16 10.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 64.34 110.896 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 595' ' ' LEU . . . . . 0.535 HD13 ' HB2' ' A' ' 602' ' ' ASP . 23.7 mt -78.67 -23.8 45.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.433 . . . . 64.43 110.976 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 596' ' ' GLY . . . . . . . . . . . . . . . 83.38 -174.67 52.25 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.782 -0.723 . . . . 61.14 112.468 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 71.5 p -93.7 28.77 2.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.852 0.358 . . . . 70.22 111.167 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 598' ' ' GLY . . . . . . . . . . . . . . . -123.94 -9.77 5.56 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.663 -0.779 . . . . 73.12 112.467 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 599' ' ' ARG . . . . . 0.724 ' O ' HG23 ' A' ' 603' ' ' VAL . 30.6 mtp180 -121.4 78.57 1.44 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.791 0.329 . . . . 73.14 110.867 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 600' ' ' TRP . . . . . 0.487 ' HB3' HD11 ' A' ' 619' ' ' LEU . 2.8 m0 -67.75 -50.16 58.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.196 -0.456 . . . . 52.15 110.898 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 601' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -53.41 -44.95 69.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.426 . . . . 63.14 110.835 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 602' ' ' ASP . . . . . 0.535 ' HB2' HD13 ' A' ' 595' ' ' LEU . 1.8 m-20 -64.47 -34.55 78.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 61.21 110.919 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 603' ' ' VAL . . . . . 0.724 HG23 ' O ' ' A' ' 599' ' ' ARG . 51.9 t -64.19 -33.74 64.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 74.13 111.128 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.45 -49.35 55.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.198 -0.456 . . . . 72.13 110.921 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 605' ' ' MET . . . . . . . . . . . . . 5.1 ptm -70.87 -31.44 68.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 73.51 110.816 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 606' ' ' ARG . . . . . . . . . . . . . 5.2 ttt-85 -76.58 -40.61 49.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 72.34 110.838 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 607' ' ' ALA . . . . . 0.47 ' HA ' ' HB1' ' A' ' 587' ' ' ALA . . . -82.37 -66.91 0.83 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.276 -0.42 . . . . 71.34 111.113 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 608' ' ' PHE . . . . . 0.428 ' HB2' ' HB2' ' A' ' 611' ' ' ALA . 69.0 m-85 -70.98 124.79 25.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 74.42 110.815 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -71.93 -34.21 68.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 74.14 110.948 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -126.63 73.94 1.43 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.158 -0.474 . . . . 75.42 110.861 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 611' ' ' ALA . . . . . 0.428 ' HB2' ' HB2' ' A' ' 608' ' ' PHE . . . -94.9 83.28 3.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 64.22 111.03 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.63 -74.58 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.203 -0.453 . . . . 71.24 110.904 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 613' ' ' HIS . . . . . . . . . . . . . 8.0 m80 -78.88 127.27 31.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 75.24 110.865 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 614' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -71.93 103.04 3.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 71.4 110.811 -179.834 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 615' ' ' THR . . . . . 0.443 HG22 ' H ' ' A' ' 616' ' ' TYR . 0.2 OUTLIER -101.34 176.29 5.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.256 -0.429 . . . . 53.13 111.156 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 616' ' ' TYR . . . . . 0.443 ' H ' HG22 ' A' ' 615' ' ' THR . 24.5 p90 -152.58 -41.77 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 75.21 110.905 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 617' ' ' VAL . . . . . . . . . . . . . 8.5 p -72.02 -33.36 47.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.092 -0.504 . . . . 72.42 111.104 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 618' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.3 -51.5 63.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 73.1 110.854 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 619' ' ' LEU . . . . . 0.487 HD11 ' HB3' ' A' ' 600' ' ' TRP . 3.9 pp -70.96 -40.98 71.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 72.32 110.886 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 620' ' ' LYS . . . . . 0.435 ' N ' HD12 ' A' ' 619' ' ' LEU . 16.2 ttmm -59.86 -54.25 48.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 72.24 110.894 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -54.76 -41.89 71.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 53.45 110.907 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.98 -40.67 70.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 72.41 110.905 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 623' ' ' TRP . . . . . 0.693 ' CZ3' HG23 ' A' ' 650' ' ' VAL . 15.5 t-105 -67.65 -46.48 72.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 74.11 110.931 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -51.89 -55.1 22.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 70.22 110.887 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 10.6 t -62.29 -29.04 70.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 72.43 111.179 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 626' ' ' LEU . . . . . 0.595 ' HB3' HG21 ' A' ' 650' ' ' VAL . 0.4 OUTLIER -64.84 -52.23 57.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.21 -0.45 . . . . 64.2 110.878 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 627' ' ' VAL . . . . . 0.63 HG22 HG22 ' A' ' 650' ' ' VAL . 91.5 t -60.16 -54.28 37.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 33.01 111.11 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 628' ' ' HIS . . . . . 0.42 ' HA ' HD13 ' A' ' 632' ' ' ILE . 46.3 m80 -53.39 -27.75 25.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 75.24 110.9 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 629' ' ' THR . . . . . . . . . . . . . 4.1 m -75.94 -30.8 58.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 53.43 111.1 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 630' ' ' ALA . . . . . 0.657 ' HA ' HD13 ' A' ' 647' ' ' LEU . . . -53.52 -49.07 68.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 63.01 111.111 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 631' ' ' SER . . . . . 0.593 ' C ' HD12 ' A' ' 632' ' ' ILE . 0.4 OUTLIER 167.79 68.54 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 51.35 110.862 -179.833 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 632' ' ' ILE . . . . . 0.6 HD13 ' O ' ' A' ' 627' ' ' VAL . 1.8 mp -118.56 -74.03 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.486 . . . . 74.02 111.106 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 633' ' ' ALA . . . . . 0.724 ' HB3' ' NE2' ' A' ' 636' ' ' GLN . . . -103.96 155.55 36.91 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.622 0.725 . . . . 45.13 111.074 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 634' ' ' PRO . . . . . 0.411 ' HD2' ' HB1' ' A' ' 633' ' ' ALA . 53.4 Cg_endo -69.73 -30.63 22.09 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.695 2.263 . . . . 62.15 112.358 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 635' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -68.37 -14.06 62.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 72.33 110.94 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 636' ' ' GLN . . . . . 0.724 ' NE2' ' HB3' ' A' ' 633' ' ' ALA . 2.0 mp0 -80.51 -35.78 34.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 64.2 110.909 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 637' ' ' ARG . . . . . . . . . . . . . 11.1 ptp180 -84.82 114.06 21.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 75.43 110.853 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 638' ' ' ARG . . . . . . . . . . . . . 16.5 tpt180 -118.04 -43.12 2.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 62.34 110.965 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 639' ' ' GLY . . . . . . . . . . . . . . . 141.49 -19.87 2.6 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.683 -0.77 . . . . 71.51 112.489 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 640' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -52.74 152.25 7.12 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.64 0.733 . . . . 54.24 110.864 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.75 121.18 7.88 Favored 'Trans proline' 0 N--CA 1.465 -0.194 0 C-N-CA 122.725 2.283 . . . . 70.41 112.327 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 642' ' ' VAL . . . . . 0.688 HG21 HD11 ' A' ' 647' ' ' LEU . 1.6 m -133.92 140.93 37.91 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.666 0.746 . . . . 71.34 111.108 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 643' ' ' PRO . . . . . 0.617 ' HG3' HG13 ' A' ' 582' ' ' VAL . 53.9 Cg_endo -69.77 127.27 14.34 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.686 2.257 . . . . 73.12 112.312 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 28.4 tp60 -73.27 -23.06 60.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 74.22 110.923 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -71.03 -35.48 72.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 64.32 110.835 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 646' ' ' LEU . . . . . 0.42 HD12 ' CG ' ' A' ' 643' ' ' PRO . 17.9 mt -75.48 -47.21 28.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 71.3 110.886 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 647' ' ' LEU . . . . . 0.688 HD11 HG21 ' A' ' 642' ' ' VAL . 39.1 mt -61.35 -35.14 76.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 73.4 110.864 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.36 -43.79 55.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 74.34 110.88 179.774 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 6.2 mmm180 -66.96 -49.46 65.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.167 -0.469 . . . . 71.45 110.854 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 650' ' ' VAL . . . . . 0.693 HG23 ' CZ3' ' A' ' 623' ' ' TRP . 2.6 p -56.48 -34.51 41.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 63.23 111.092 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 651' ' ' LEU . . . . . 0.476 HD23 HG13 ' A' ' 627' ' ' VAL . 15.8 mt -72.27 -32.42 66.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.151 -0.477 . . . . 43.34 110.85 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -63.08 -51.85 64.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 63.21 111.071 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 653' ' ' ALA . . . . . 0.624 ' HB3' ' HH2' ' A' ' 623' ' ' TRP . . . -68.18 -50.9 51.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 72.14 111.001 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 654' ' ' HIS . . . . . 0.403 ' CG ' HG11 ' A' ' 627' ' ' VAL . 29.0 t60 -54.68 -34.44 62.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.294 -0.412 . . . . 73.43 110.811 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -77.81 -46.95 20.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 64.44 111.128 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 75.0 t80 -60.48 -48.22 82.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 64.25 110.951 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 657' ' ' TRP . . . . . . . . . . . . . 41.0 m95 -67.72 -34.23 76.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.092 -0.504 . . . . 60.13 110.944 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 3.3 t -60.89 -35.78 77.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 72.3 110.92 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 659' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -57.03 -24.23 52.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 61.34 110.918 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -59.62 -30.78 68.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 63.41 110.931 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 61.11 60.71 1.73 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.142 -0.481 . . . . 74.13 110.899 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 662' ' ' GLY . . . . . . . . . . . . . . . -136.24 77.52 0.35 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.738 -0.744 . . . . 75.34 112.456 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 9.4 ptmt -118.88 -47.08 2.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.728 0.299 . . . . 63.03 110.933 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 59.38 56.52 3.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 74.32 110.937 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 665' ' ' HIS . . . . . . . . . . . . . 27.6 m170 -128.89 89.98 2.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 72.34 110.836 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 666' ' ' VAL . . . . . . . . . . . . . 45.7 t -140.1 147.03 23.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 41.33 111.182 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -135.79 160.5 67.28 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.564 0.697 . . . . 64.51 110.875 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 668' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -177.14 1.74 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.707 2.271 . . . . 74.23 112.351 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 669' ' ' LEU . . . . . 0.521 HD13 ' N ' ' A' ' 670' ' ' LYS . 0.3 OUTLIER -172.02 127.63 0.59 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 73.21 110.915 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 670' ' ' LYS . . . . . 0.521 ' N ' HD13 ' A' ' 669' ' ' LEU . 2.7 ptmm? -164.28 179.56 6.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 75.31 110.856 179.776 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 671' ' ' ILE . . . . . . . . . . . . . 9.1 tt -143.55 150.77 17.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.483 . . . . 73.43 111.167 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -113.68 170.75 8.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 75.34 110.84 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 673' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -172.29 133.33 0.66 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 70.05 110.87 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -125.24 158.51 33.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 74.44 111.119 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -175.24 133.98 0.32 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 75.41 110.884 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . -162.74 166.55 24.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 73.22 111.082 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -143.41 179.59 7.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 62.1 110.928 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 678' ' ' LYS . . . . . . . . . . . . . 27.6 ttpt -124.99 -55.65 1.58 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 75.03 110.866 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 679' ' ' VAL . . . . . . . . . . . . . 33.4 m -51.69 165.58 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 71.14 111.11 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 680' ' ' GLY . . . . . . . . . . . . . . . 151.37 42.08 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.693 -0.765 . . . . 33.12 112.478 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 681' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-O 120.81 0.338 . . . . 72.3 111.091 179.959 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 561' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--O 1.231 0.159 0 CA-C-O 120.812 0.255 . . . . 65.03 112.365 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 562' ' ' VAL . . . . . . . . . . . . . 13.6 p -57.95 -25.34 25.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.275 -0.42 . . . . 75.43 111.086 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 563' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -85.62 -175.39 5.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 53.14 110.934 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -123.57 -74.43 0.62 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.473 . . . . 75.24 110.941 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 565' ' ' LYS . . . . . . . . . . . . . 12.0 mmmm 56.17 52.85 9.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 73.14 110.948 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 8.2 t -82.78 133.5 35.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.191 -0.459 . . . . 74.42 110.83 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 567' ' ' LYS . . . . . . . . . . . . . 28.8 mtpt -146.14 -178.87 6.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.475 . . . . 75.14 110.94 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.93 90.33 2.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 52.42 110.853 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 95.9 p -117.16 144.25 44.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 74.44 110.84 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 570' ' ' GLU . . . . . 0.611 ' C ' HD13 ' A' ' 571' ' ' LEU . 15.3 tp10 -175.19 160.17 2.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 74.21 110.872 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 571' ' ' LEU . . . . . 0.611 HD13 ' C ' ' A' ' 570' ' ' GLU . 0.0 OUTLIER -156.5 167.02 31.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 63.23 110.85 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 4.9 p -174.47 -173.77 0.79 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 55.33 110.83 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 573' ' ' GLN . . . . . . . . . . . . . 21.6 mm-40 -96.53 -175.34 3.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 75.33 110.867 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 574' ' ' ARG . . . . . . . . . . . . . 34.6 ttp85 -136.37 119.72 16.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.172 -0.467 . . . . 73.54 110.788 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 14.9 ptp180 -177.08 122.42 0.13 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 73.2 110.922 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 576' ' ' ILE . . . . . 0.478 HG21 ' HA ' ' A' ' 638' ' ' ARG . 10.2 tp -175.15 144.47 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 62.01 111.137 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.53 158.9 28.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 74.13 110.906 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 578' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.09 108.53 38.32 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.622 0.725 . . . . 75.21 110.839 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -48.62 0.69 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.662 2.241 . . . . 53.33 112.389 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 580' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -92.32 145.19 24.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 75.41 110.908 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 581' ' ' SER . . . . . 0.617 ' O ' HG23 ' A' ' 585' ' ' VAL . 30.0 m -87.21 170.56 11.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 64.42 110.887 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 582' ' ' VAL . . . . . . . . . . . . . 27.1 m -56.66 -33.81 41.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.137 -0.483 . . . . 65.23 111.13 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -69.16 -43.45 74.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.463 . . . . 70.11 111.134 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 584' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -71.14 -46.82 60.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 73.12 110.824 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 585' ' ' VAL . . . . . 0.617 HG23 ' O ' ' A' ' 581' ' ' SER . 95.5 t -54.29 -34.99 28.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 62.12 111.148 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -52.38 -50.91 61.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 60.02 110.876 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 587' ' ' ALA . . . . . 0.711 ' HB1' ' HA ' ' A' ' 607' ' ' ALA . . . -58.85 -40.36 84.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.117 -0.492 . . . . 74.23 111.123 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 588' ' ' LEU . . . . . 0.476 HD13 ' O ' ' A' ' 588' ' ' LEU . 0.2 OUTLIER -55.91 -47.44 77.46 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.197 -0.456 . . . . 54.51 110.925 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 589' ' ' VAL . . . . . 0.506 HG22 HD13 ' A' ' 626' ' ' LEU . 41.1 t -70.78 -54.08 19.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 75.13 111.094 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 73.3 mt-10 -51.18 -47.65 62.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.468 . . . . 72.0 110.912 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -61.22 -39.68 91.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 75.34 111.154 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 592' ' ' VAL . . . . . 0.409 HG23 ' O ' ' A' ' 588' ' ' LEU . 41.5 t -74.02 -25.97 20.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 72.53 111.096 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -73.85 -39.05 64.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 61.01 110.895 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -86.33 -47.46 9.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 71.52 110.813 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 595' ' ' LEU . . . . . 0.527 HD22 ' HB3' ' A' ' 602' ' ' ASP . 17.3 mt -79.45 -23.58 43.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 72.44 110.855 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 596' ' ' GLY . . . . . . . . . . . . . . . 85.95 -176.1 48.85 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.702 -0.761 . . . . 65.34 112.476 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 5.9 p -94.83 26.21 3.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.846 0.355 . . . . 73.23 111.096 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 598' ' ' GLY . . . . . . . . . . . . . . . -125.9 6.06 7.85 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.729 -0.748 . . . . 54.35 112.502 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 599' ' ' ARG . . . . . 0.629 ' O ' HG23 ' A' ' 603' ' ' VAL . 42.6 mtt180 -133.06 83.71 2.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.826 0.346 . . . . 75.24 110.875 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 600' ' ' TRP . . . . . . . . . . . . . 10.1 m0 -69.56 -50.51 44.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 73.12 110.909 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 601' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.49 -47.68 69.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.296 -0.411 . . . . 74.1 110.843 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 602' ' ' ASP . . . . . 0.527 ' HB3' HD22 ' A' ' 595' ' ' LEU . 1.8 m-20 -60.5 -39.39 87.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 62.42 110.885 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 603' ' ' VAL . . . . . 0.897 HG11 HD13 ' A' ' 619' ' ' LEU . 40.3 t -61.61 -31.49 50.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 74.32 111.154 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 13.7 tttp -68.45 -49.65 58.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 75.24 110.876 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 605' ' ' MET . . . . . . . . . . . . . 17.9 ptm -72.91 -31.31 64.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 51.53 110.891 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 606' ' ' ARG . . . . . 0.461 ' CB ' HD11 ' A' ' 595' ' ' LEU . 7.3 tpm_? -75.08 -41.1 59.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 64.0 110.902 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 607' ' ' ALA . . . . . 0.711 ' HA ' ' HB1' ' A' ' 587' ' ' ALA . . . -82.27 -60.39 2.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 73.44 111.115 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 608' ' ' PHE . . . . . . . . . . . . . 49.6 m-85 -80.08 125.37 29.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.274 -0.421 . . . . 63.1 110.849 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -71.28 -34.33 70.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.139 -0.482 . . . . 71.34 110.841 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -99.77 -36.67 9.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 72.41 110.862 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 611' ' ' ALA . . . . . . . . . . . . . . . 50.23 44.92 26.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 60.41 111.079 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -137.94 42.55 2.27 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.24 -0.436 . . . . 74.02 110.832 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 613' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -143.07 -42.3 0.3 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 75.4 110.86 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 614' ' ' ARG . . . . . . . . . . . . . 7.9 mpt_? -116.04 156.13 26.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 63.14 110.882 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 615' ' ' THR . . . . . 0.429 HG22 ' H ' ' A' ' 616' ' ' TYR . 0.7 OUTLIER -80.57 166.23 21.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 44.24 111.106 -179.937 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 616' ' ' TYR . . . . . 0.429 ' H ' HG22 ' A' ' 615' ' ' THR . 53.4 p90 -63.69 -32.8 74.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 74.41 110.891 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 617' ' ' VAL . . . . . . . . . . . . . 14.8 p -71.76 -33.04 47.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 70.11 111.138 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 618' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.04 -50.7 60.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 71.41 110.875 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 619' ' ' LEU . . . . . 0.897 HD13 HG11 ' A' ' 603' ' ' VAL . 1.3 pp -54.19 -32.9 56.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.191 -0.458 . . . . 72.51 110.899 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 620' ' ' LYS . . . . . . . . . . . . . 1.5 ttpp -63.01 -54.79 32.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 72.55 110.862 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -54.76 -30.83 57.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.282 -0.417 . . . . 64.13 110.916 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 622' ' ' LYS . . . . . 0.484 ' HZ1' HG22 ' A' ' 585' ' ' VAL . 0.1 OUTLIER -67.05 -41.3 86.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 65.14 110.924 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 623' ' ' TRP . . . . . 0.419 ' CZ2' HG13 ' A' ' 650' ' ' VAL . 35.2 t-105 -67.2 -49.92 62.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.468 . . . . 74.24 110.936 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -48.3 -55.92 9.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 34.32 110.879 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 10.2 t -62.07 -28.74 69.82 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.22 -0.445 . . . . 74.41 111.188 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 626' ' ' LEU . . . . . 0.58 HD11 ' CG1' ' A' ' 585' ' ' VAL . 0.5 OUTLIER -65.08 -47.66 76.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 53.02 110.909 179.952 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 627' ' ' VAL . . . . . 0.582 ' O ' HD13 ' A' ' 632' ' ' ILE . 74.8 t -58.14 -54.95 25.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 64.41 111.123 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 628' ' ' HIS . . . . . 0.528 ' HA ' HD13 ' A' ' 632' ' ' ILE . 3.6 m80 -53.04 -31.3 40.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 62.45 110.859 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 629' ' ' THR . . . . . 0.409 ' CG2' HG21 ' A' ' 642' ' ' VAL . 51.7 m -72.42 -29.93 64.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 53.1 111.123 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 630' ' ' ALA . . . . . 0.612 ' CA ' HD22 ' A' ' 647' ' ' LEU . . . -53.92 -50.19 66.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.424 . . . . 73.44 111.032 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 631' ' ' SER . . . . . 0.709 ' C ' HD12 ' A' ' 632' ' ' ILE . 11.5 t 172.41 68.09 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.266 -0.425 . . . . 65.13 110.842 -179.786 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 632' ' ' ILE . . . . . 0.709 HD12 ' C ' ' A' ' 631' ' ' SER . 2.3 mp -127.02 -75.85 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.101 -0.499 . . . . 54.14 111.059 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 633' ' ' ALA . . . . . 0.673 ' HB3' ' HB2' ' A' ' 636' ' ' GLN . . . -103.49 144.32 28.41 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.604 0.716 . . . . 51.14 111.116 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 634' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -48.15 0.78 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.692 2.261 . . . . 64.33 112.365 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 635' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -73.71 -13.73 61.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 71.12 110.932 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 636' ' ' GLN . . . . . 0.673 ' HB2' ' HB3' ' A' ' 633' ' ' ALA . 19.7 mm100 -80.79 -0.71 39.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 74.41 110.953 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 637' ' ' ARG . . . . . . . . . . . . . 38.0 ttp180 -81.09 114.28 19.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 71.2 110.882 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 638' ' ' ARG . . . . . 0.478 ' HA ' HG21 ' A' ' 576' ' ' ILE . 8.0 mtm-85 -57.63 146.16 31.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 65.14 110.876 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 639' ' ' GLY . . . . . . . . . . . . . . . -51.5 -63.02 5.01 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.767 -0.73 . . . . 44.02 112.475 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 640' ' ' GLU . . . . . 0.401 ' HB2' ' HD2' ' A' ' 641' ' ' PRO . 23.2 pt-20 -55.49 154.33 12.47 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.556 0.693 . . . . 74.42 110.944 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 641' ' ' PRO . . . . . 0.401 ' HD2' ' HB2' ' A' ' 640' ' ' GLU . 53.8 Cg_endo -69.82 121.64 8.31 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.674 2.249 . . . . 74.32 112.307 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 642' ' ' VAL . . . . . 0.409 HG21 ' CG2' ' A' ' 629' ' ' THR . 3.5 t -92.38 132.42 32.02 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.649 0.738 . . . . 74.32 111.13 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 128.6 16.29 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.62 2.213 . . . . 72.11 112.376 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -64.79 -20.24 66.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 74.04 110.919 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -60.45 -45.44 93.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.136 -0.484 . . . . 60.42 110.915 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 646' ' ' LEU . . . . . . . . . . . . . 25.6 mt -75.49 -53.28 8.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 72.22 110.871 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 647' ' ' LEU . . . . . 0.612 HD22 ' CA ' ' A' ' 630' ' ' ALA . 91.9 mt -52.25 -34.7 47.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 71.24 110.907 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -71.12 -45.94 62.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 74.24 110.913 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 83.5 mtt180 -65.57 -36.6 84.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.106 -0.497 . . . . 72.42 110.859 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 650' ' ' VAL . . . . . 0.549 ' CG1' HG22 ' A' ' 627' ' ' VAL . 43.0 t -64.09 -49.85 79.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.491 . . . . 71.0 111.167 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 651' ' ' LEU . . . . . 0.477 HD13 ' CB ' ' A' ' 630' ' ' ALA . 1.0 OUTLIER -62.66 -29.53 70.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.11 -0.495 . . . . 52.33 110.823 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -64.48 -50.46 67.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.267 -0.424 . . . . 62.41 111.121 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -75.68 -42.17 51.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 53.22 111.073 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 654' ' ' HIS . . . . . . . . . . . . . 62.9 t60 -54.54 -46.98 73.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 73.2 110.873 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -73.11 -46.9 48.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 75.03 111.112 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -54.25 -50.08 68.03 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.203 -0.453 . . . . 74.02 110.919 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 657' ' ' TRP . . . . . . . . . . . . . 71.0 m95 -71.05 -36.77 72.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.112 -0.495 . . . . 74.42 110.942 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 9.5 t -54.11 -31.82 53.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 62.35 110.855 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 659' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -57.0 -23.57 47.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.079 -0.51 . . . . 63.13 110.958 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -101.59 -40.47 7.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 71.33 110.885 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 21.4 tp60 -173.98 155.43 2.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.448 . . . . 74.2 110.928 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 662' ' ' GLY . . . . . . . . . . . . . . . 163.4 151.96 6.65 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.716 -0.754 . . . . 71.22 112.478 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 12.9 ttpt -174.28 151.88 1.7 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.715 0.293 . . . . 74.54 110.896 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 9.3 tp-100 -174.05 158.12 3.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 74.53 110.925 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 665' ' ' HIS . . . . . . . . . . . . . 59.4 m-70 -155.66 168.08 28.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 74.43 110.835 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 666' ' ' VAL . . . . . . . . . . . . . 10.7 p -175.4 151.87 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 61.4 111.129 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -119.9 157.52 52.39 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.704 0.764 . . . . 73.14 110.851 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 668' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -177.22 1.78 Allowed 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.605 2.203 . . . . 74.44 112.369 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 669' ' ' LEU . . . . . . . . . . . . . 1.6 pp -173.7 141.93 0.88 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.26 -0.427 . . . . 74.33 110.907 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 670' ' ' LYS . . . . . . . . . . . . . 22.2 pttm -172.1 -178.84 2.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 70.41 110.908 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 671' ' ' ILE . . . . . . . . . . . . . 42.1 pt -150.44 -176.73 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 73.04 111.14 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 12.2 mt -148.3 174.1 12.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 62.32 110.879 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 673' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -173.29 178.65 2.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 51.23 110.833 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -175.89 168.35 3.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 73.22 111.103 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -175.88 144.78 0.63 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.219 -0.446 . . . . 54.53 110.874 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . -162.36 -179.74 7.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 25.04 111.064 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -165.71 156.98 13.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.11 -0.495 . . . . 72.5 110.916 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 678' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? -102.91 -58.52 1.86 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 73.21 110.883 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 679' ' ' VAL . . . . . 0.6 HG22 ' O ' ' A' ' 679' ' ' VAL . 13.1 p 39.65 38.56 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.28 -0.418 . . . . 73.24 111.101 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 680' ' ' GLY . . . . . . . . . . . . . . . -93.71 -164.06 36.67 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.742 -0.742 . . . . 70.43 112.532 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 681' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.353 0 CA-C-O 120.797 0.332 . . . . 73.43 111.192 179.92 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 561' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.231 0.166 0 CA-C-O 120.763 0.234 . . . . 52.21 112.385 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 562' ' ' VAL . . . . . . . . . . . . . 46.4 t -114.67 73.67 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 72.35 111.123 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 563' ' ' ASN . . . . . . . . . . . . . 39.6 m-80 -107.15 -45.49 4.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 64.43 110.869 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -85.29 146.84 26.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 72.41 110.897 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 565' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.19 144.93 42.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 73.3 110.842 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 34.6 t -123.78 110.52 15.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 72.13 110.879 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 567' ' ' LYS . . . . . . . . . . . . . 43.3 mmtm -106.65 -177.65 3.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 75.31 110.896 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 21.6 mmm180 -53.23 122.24 9.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 74.53 110.838 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 44.1 m -108.77 135.67 49.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.49 . . . . 54.43 110.874 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -122.04 91.41 3.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 73.2 110.879 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 5.0 mp -120.17 87.89 2.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.464 . . . . 75.44 110.95 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 2.5 m -141.23 161.05 38.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 75.55 110.888 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 573' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -57.78 161.05 4.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 73.32 110.921 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 574' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.74 -26.1 65.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 74.34 110.827 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 16.2 mmm180 -68.16 166.92 15.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 74.04 110.878 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 576' ' ' ILE . . . . . . . . . . . . . 1.8 tt 39.55 38.62 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 75.14 111.088 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 4.9 ptt-85 -60.84 -172.14 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 74.35 110.889 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 578' ' ' ARG . . . . . . . . . . . . . 13.9 tpp180 -120.45 136.13 25.04 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.604 0.716 . . . . 72.32 110.817 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 118.81 5.9 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.67 2.246 . . . . 74.41 112.355 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 580' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -92.23 145.43 24.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 74.4 110.904 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 581' ' ' SER . . . . . 0.54 ' O ' HG23 ' A' ' 585' ' ' VAL . 1.3 m -72.59 159.68 33.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 70.21 110.876 -179.813 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 582' ' ' VAL . . . . . . . . . . . . . 59.5 t -54.05 -30.77 20.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 64.44 111.138 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -67.63 -47.47 69.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 70.14 111.098 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 584' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -71.91 -41.77 67.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 73.35 110.91 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 585' ' ' VAL . . . . . 0.684 ' O ' HG23 ' A' ' 589' ' ' VAL . 95.2 t -59.89 -35.91 63.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 74.13 111.179 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 586' ' ' GLU . . . . . 0.563 ' HG3' HD11 ' A' ' 646' ' ' LEU . 35.0 mt-10 -60.45 -48.69 80.67 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.137 -0.483 . . . . 50.45 110.867 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 587' ' ' ALA . . . . . 0.583 ' HB1' ' HA ' ' A' ' 607' ' ' ALA . . . -60.14 -32.87 71.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 62.23 111.105 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 588' ' ' LEU . . . . . 0.505 HD13 ' C ' ' A' ' 588' ' ' LEU . 3.3 tm? -70.05 -49.4 51.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 64.12 110.888 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 589' ' ' VAL . . . . . 0.684 HG23 ' O ' ' A' ' 585' ' ' VAL . 18.4 t -60.85 -57.44 12.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 63.33 111.122 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -55.77 -30.46 61.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 63.24 110.917 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -72.76 -45.74 57.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.104 -0.498 . . . . 73.54 111.102 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 592' ' ' VAL . . . . . 0.428 HG12 ' O ' ' A' ' 589' ' ' VAL . 12.7 p -74.5 -26.2 19.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.455 . . . . 75.51 111.114 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.35 -41.69 63.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 73.44 110.945 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 7.7 t-80 -84.97 -47.3 10.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.123 -0.49 . . . . 74.23 110.864 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 595' ' ' LEU . . . . . 0.577 HD13 ' C ' ' A' ' 602' ' ' ASP . 11.8 mt -79.84 -14.91 58.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.215 -0.448 . . . . 65.41 110.905 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 596' ' ' GLY . . . . . . . . . . . . . . . 81.16 170.06 42.82 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.806 -0.711 . . . . 65.02 112.487 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -80.58 0.75 32.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.834 0.349 . . . . 61.44 111.148 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 598' ' ' GLY . . . . . . . . . . . . . . . -100.16 -14.25 33.97 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.758 -0.734 . . . . 61.13 112.48 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 599' ' ' ARG . . . . . 0.673 ' O ' HG23 ' A' ' 603' ' ' VAL . 10.7 mtt85 -104.12 70.44 0.98 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.774 0.321 . . . . 61.24 110.844 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 600' ' ' TRP . . . . . . . . . . . . . 21.8 m0 -62.81 -50.43 71.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.215 -0.448 . . . . 72.14 110.901 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 601' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -53.73 -47.64 70.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.226 -0.443 . . . . 71.13 110.879 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 602' ' ' ASP . . . . . 0.577 ' C ' HD13 ' A' ' 595' ' ' LEU . 28.2 m-20 -63.03 -35.73 81.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 61.31 110.919 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 603' ' ' VAL . . . . . 0.673 HG23 ' O ' ' A' ' 599' ' ' ARG . 52.4 t -65.69 -31.69 54.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.151 -0.477 . . . . 63.05 111.199 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 1.5 ttpm? -68.19 -49.95 57.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 73.02 110.868 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 605' ' ' MET . . . . . . . . . . . . . 30.5 mtm -73.19 -30.92 63.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 75.2 110.915 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 606' ' ' ARG . . . . . 0.569 ' CB ' HD11 ' A' ' 595' ' ' LEU . 7.0 tpm_? -73.71 -41.06 63.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 72.34 110.869 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 607' ' ' ALA . . . . . 0.583 ' HA ' ' HB1' ' A' ' 587' ' ' ALA . . . -91.02 -70.16 0.7 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.478 . . . . 71.51 111.073 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 608' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -70.59 124.52 24.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 75.1 110.905 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -72.19 -34.15 68.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 75.31 110.896 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -89.84 47.24 1.44 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 72.55 110.888 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 611' ' ' ALA . . . . . . . . . . . . . . . -87.05 54.68 3.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.25 -0.432 . . . . 63.21 111.13 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -100.82 87.83 3.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 62.21 110.844 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 613' ' ' HIS . . . . . . . . . . . . . 5.7 t-160 64.99 57.92 0.95 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 73.43 110.925 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 614' ' ' ARG . . . . . . . . . . . . . 5.3 tpp85 -125.12 157.13 37.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 65.33 110.866 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 615' ' ' THR . . . . . 0.738 HG23 HG12 ' A' ' 617' ' ' VAL . 4.5 t -73.67 158.01 35.49 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.179 -0.464 . . . . 70.12 111.13 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 616' ' ' TYR . . . . . . . . . . . . . 28.7 p90 -98.56 21.48 11.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 55.15 110.945 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 617' ' ' VAL . . . . . 0.738 HG12 HG23 ' A' ' 615' ' ' THR . 11.8 p -72.16 -33.64 47.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.123 -0.489 . . . . 62.21 111.084 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 618' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.75 -50.77 40.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.277 -0.419 . . . . 75.04 110.89 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 619' ' ' LEU . . . . . . . . . . . . . 3.1 pp -66.79 -38.23 86.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 74.12 110.967 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 620' ' ' LYS . . . . . . . . . . . . . 17.7 ttmt -66.46 -44.21 83.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 74.53 110.958 179.789 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 52.8 t0 -71.62 -35.06 70.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.16 -0.473 . . . . 60.42 110.859 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 31.8 mtpt -58.95 -42.62 90.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 62.43 110.921 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 623' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -70.23 -47.71 60.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 74.01 110.893 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 2.6 tttp -51.67 -46.91 63.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 74.13 110.874 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 15.1 t -72.43 -28.51 63.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 64.5 111.149 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 626' ' ' LEU . . . . . 0.714 HD22 HG21 ' A' ' 650' ' ' VAL . 0.6 OUTLIER -65.21 -55.22 19.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 73.05 110.904 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 627' ' ' VAL . . . . . 0.812 HG23 HD12 ' A' ' 651' ' ' LEU . 4.0 p -58.26 -45.11 89.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 71.51 111.116 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 628' ' ' HIS . . . . . 0.43 ' N ' HG13 ' A' ' 627' ' ' VAL . 0.2 OUTLIER -62.23 -26.69 68.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.187 -0.461 . . . . 73.31 110.922 179.923 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 629' ' ' THR . . . . . . . . . . . . . 7.5 m -77.17 -29.63 54.56 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.183 -0.462 . . . . 32.32 111.106 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 630' ' ' ALA . . . . . 0.769 ' HA ' HD13 ' A' ' 647' ' ' LEU . . . -53.84 -48.48 69.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.261 -0.427 . . . . 73.35 111.121 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 631' ' ' SER . . . . . 0.693 ' C ' HD12 ' A' ' 632' ' ' ILE . 0.4 OUTLIER 170.02 68.87 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 73.4 110.861 -179.824 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 632' ' ' ILE . . . . . 0.693 HD12 ' C ' ' A' ' 631' ' ' SER . 1.8 mp -123.46 -73.35 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.091 -0.504 . . . . 74.34 111.161 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 633' ' ' ALA . . . . . 0.558 ' N ' HG22 ' A' ' 632' ' ' ILE . . . -104.2 148.85 36.59 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.621 0.724 . . . . 42.41 111.142 179.803 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 634' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 -29.49 23.67 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.641 2.227 . . . . 73.33 112.405 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 635' ' ' GLN . . . . . . . . . . . . . 19.9 mm100 -70.03 -14.28 62.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 74.31 110.984 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 -80.47 -34.94 35.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 73.22 110.88 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 637' ' ' ARG . . . . . . . . . . . . . 4.9 tmm_? -84.65 113.99 21.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 54.35 110.858 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 638' ' ' ARG . . . . . . . . . . . . . 1.3 tpt85 -114.09 -57.34 2.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 72.34 110.807 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 639' ' ' GLY . . . . . . . . . . . . . . . 156.25 -20.79 0.49 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.741 -0.742 . . . . 72.44 112.476 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 640' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -51.68 160.66 1.01 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.67 0.747 . . . . 64.14 110.839 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.74 120.13 6.97 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.619 2.213 . . . . 55.33 112.377 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 642' ' ' VAL . . . . . 0.742 HG21 HD11 ' A' ' 647' ' ' LEU . 1.5 p -134.46 130.96 20.21 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.598 0.713 . . . . 74.42 111.099 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 643' ' ' PRO . . . . . 0.521 ' CG ' HD12 ' A' ' 646' ' ' LEU . 54.2 Cg_endo -69.79 128.51 16.1 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.691 2.261 . . . . 72.34 112.343 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -75.97 -22.59 55.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 72.2 110.932 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 52.0 t0 -70.65 -35.3 72.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 74.53 110.896 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 646' ' ' LEU . . . . . 0.678 ' O ' HG23 ' A' ' 650' ' ' VAL . 42.6 mt -76.05 -50.26 15.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 53.32 110.911 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 647' ' ' LEU . . . . . 0.769 HD13 ' HA ' ' A' ' 630' ' ' ALA . 50.1 mt -55.46 -43.06 75.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 75.52 110.942 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -64.47 -47.37 79.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 64.34 110.845 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 75.1 mtt180 -64.49 -37.5 87.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.212 -0.449 . . . . 70.11 110.868 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 650' ' ' VAL . . . . . 0.714 HG21 HD22 ' A' ' 626' ' ' LEU . 51.1 t -57.0 -49.99 77.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 50.32 111.187 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 651' ' ' LEU . . . . . 0.812 HD12 HG23 ' A' ' 627' ' ' VAL . 6.0 mp -61.82 -36.87 82.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 62.35 110.949 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -54.63 -51.09 66.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 65.32 111.1 179.761 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -76.01 -44.51 39.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 74.43 111.093 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 654' ' ' HIS . . . . . . . . . . . . . 63.3 t60 -54.15 -44.38 71.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 73.22 110.818 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -77.24 -46.79 22.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 45.22 111.103 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 79.9 t80 -53.82 -50.29 66.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 61.34 110.887 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 657' ' ' TRP . . . . . . . . . . . . . 69.4 m95 -71.31 -33.73 69.94 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.11 -0.495 . . . . 74.31 110.952 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -56.91 -31.05 64.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 74.33 110.887 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 659' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -59.51 -20.05 52.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 71.32 110.849 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 64.26 62.19 0.85 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 73.43 110.93 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -81.08 -24.75 37.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 63.12 110.945 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 662' ' ' GLY . . . . . . . . . . . . . . . -128.7 -141.19 5.11 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.83 -0.7 . . . . 74.1 112.506 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 12.8 mmtm -154.3 140.87 18.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.751 0.31 . . . . 60.42 110.863 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -177.1 151.92 0.85 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 75.22 110.925 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 665' ' ' HIS . . . . . . . . . . . . . 19.8 p80 -173.02 149.27 1.84 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.461 . . . . 74.44 110.81 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 666' ' ' VAL . . . . . . . . . . . . . 21.4 t -145.14 150.84 15.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 75.12 111.113 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -113.82 157.41 41.86 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.645 0.736 . . . . 74.22 110.907 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 668' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -170.93 0.43 Allowed 'Trans proline' 0 C--O 1.233 0.231 0 C-N-CA 122.662 2.241 . . . . 71.33 112.329 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 669' ' ' LEU . . . . . . . . . . . . . 8.6 tp -126.99 165.58 19.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 74.01 110.892 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 670' ' ' LYS . . . . . . . . . . . . . 32.7 tttp -117.15 165.78 13.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 64.14 110.971 179.749 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 671' ' ' ILE . . . . . . . . . . . . . 10.1 tp -137.5 145.78 28.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.275 -0.421 . . . . 63.22 111.149 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 12.4 tp -97.49 155.24 17.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 63.44 110.917 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 673' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -178.98 147.49 0.35 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.124 -0.489 . . . . 73.33 110.849 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -175.52 167.69 3.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 51.15 111.065 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 24.4 tptt -176.04 146.63 0.7 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 70.11 110.909 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . -152.35 177.9 10.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 63.44 111.058 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 6.1 tp60 -171.84 152.2 2.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 72.43 110.935 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 678' ' ' LYS . . . . . . . . . . . . . 21.8 tptt -93.31 -60.75 1.71 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.445 . . . . 73.13 110.899 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 679' ' ' VAL . . . . . . . . . . . . . 38.6 t 62.48 75.16 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.262 -0.426 . . . . 64.13 111.135 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 680' ' ' GLY . . . . . . . . . . . . . . . -132.57 -171.84 12.87 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.798 -0.715 . . . . 75.12 112.476 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 681' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-O 120.748 0.308 . . . . 71.04 111.117 179.962 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 561' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 N--CA 1.465 -0.18 0 CA-C-O 120.875 0.281 . . . . 75.24 112.334 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 562' ' ' VAL . . . . . . . . . . . . . 43.4 t -145.85 109.87 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 73.23 111.116 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 563' ' ' ASN . . . . . . . . . . . . . 40.6 t30 -162.82 165.63 25.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 63.15 110.883 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -159.77 154.75 24.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 75.43 110.931 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 565' ' ' LYS . . . . . . . . . . . . . 36.0 mmtt -120.19 161.62 20.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 70.54 110.87 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 74.9 p -122.76 141.01 52.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.21 -0.45 . . . . 74.11 110.86 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 567' ' ' LYS . . . . . . . . . . . . . 29.3 mtmm -134.51 113.24 11.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.469 . . . . 75.11 110.955 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 50.4 mtp85 -138.44 138.87 38.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 72.32 110.896 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -106.41 125.33 50.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 64.14 110.884 -179.818 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -112.66 136.59 52.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.104 -0.498 . . . . 71.21 110.86 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 94.6 mt -84.5 73.66 10.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 73.25 110.945 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 68.4 m -133.41 179.34 6.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 73.02 110.871 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 573' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -133.99 103.39 5.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 72.02 110.892 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 574' ' ' ARG . . . . . . . . . . . . . 11.4 tpt85 -116.32 162.54 17.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.43 . . . . 74.55 110.903 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 29.8 ttm-85 -151.22 108.48 3.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.252 -0.431 . . . . 44.11 110.916 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 576' ' ' ILE . . . . . 0.681 HD11 ' CZ ' ' A' ' 580' ' ' PHE . 35.4 pt -52.2 170.73 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 71.33 111.138 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 30.6 mtp180 -138.3 24.53 2.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 63.41 110.933 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 578' ' ' ARG . . . . . . . . . . . . . 4.0 mtp180 -120.44 160.09 45.3 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.656 0.741 . . . . 71.44 110.833 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 152.91 69.53 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.708 2.272 . . . . 64.13 112.337 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 580' ' ' PHE . . . . . 0.681 ' CZ ' HD11 ' A' ' 576' ' ' ILE . 25.9 m-85 -91.69 142.96 27.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 70.05 110.879 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 581' ' ' SER . . . . . 0.426 ' O ' HG23 ' A' ' 585' ' ' VAL . 12.9 m -72.59 158.54 35.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.499 . . . . 73.24 110.819 -179.814 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 582' ' ' VAL . . . . . 0.69 HG13 ' HG3' ' A' ' 643' ' ' PRO . 87.0 t -51.96 -39.01 24.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.082 -0.508 . . . . 72.02 111.111 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -69.27 -34.9 75.46 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.186 -0.461 . . . . 52.2 111.064 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 584' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -75.26 -38.5 60.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 65.21 110.834 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 585' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 581' ' ' SER . 60.5 t -71.95 -34.58 51.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 73.42 111.131 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -51.22 -30.79 18.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.084 -0.507 . . . . 74.23 110.911 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 587' ' ' ALA . . . . . . . . . . . . . . . -76.16 -35.48 59.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 62.43 111.122 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 588' ' ' LEU . . . . . 0.524 ' O ' HG23 ' A' ' 592' ' ' VAL . 0.2 OUTLIER -62.88 -48.35 79.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 70.11 110.891 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 589' ' ' VAL . . . . . 0.596 HG22 HD21 ' A' ' 626' ' ' LEU . 10.4 t -68.35 -55.91 14.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 73.02 111.133 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -51.04 -43.57 60.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.083 -0.508 . . . . 72.34 110.903 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 591' ' ' ALA . . . . . 0.633 ' HB3' HG13 ' A' ' 603' ' ' VAL . . . -66.94 -41.86 86.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 63.31 111.146 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 592' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 588' ' ' LEU . 40.7 t -69.26 -25.22 28.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.262 -0.426 . . . . 75.44 111.081 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -73.23 -38.41 66.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.492 . . . . 74.32 110.852 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -86.67 -47.7 8.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 72.14 110.921 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 595' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -79.37 -24.1 42.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 74.42 110.899 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 596' ' ' GLY . . . . . 0.403 ' CA ' ' O ' ' A' ' 592' ' ' VAL . . . 87.74 -167.38 36.7 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.75 -0.738 . . . . 55.23 112.516 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 4.5 p -102.52 34.12 2.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.854 0.359 . . . . 73.55 111.108 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 598' ' ' GLY . . . . . . . . . . . . . . . -143.8 11.71 2.15 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.748 -0.739 . . . . 73.43 112.473 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 599' ' ' ARG . . . . . 0.594 ' O ' HG23 ' A' ' 603' ' ' VAL . 70.4 mtt180 -132.06 77.41 1.76 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.801 0.334 . . . . 71.13 110.842 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 600' ' ' TRP . . . . . 0.67 ' HB3' HD12 ' A' ' 619' ' ' LEU . 11.1 m0 -69.46 -50.25 47.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.485 . . . . 72.04 110.919 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 601' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.61 -36.55 56.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.43 . . . . 74.04 110.864 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 602' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -76.86 -48.72 17.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 73.03 110.904 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 603' ' ' VAL . . . . . 0.633 HG13 ' HB3' ' A' ' 591' ' ' ALA . 52.9 t -58.5 -36.09 57.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.081 -0.509 . . . . 62.12 111.154 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 604' ' ' LYS . . . . . 0.653 ' HG3' HD21 ' A' ' 619' ' ' LEU . 2.3 ttpm? -71.9 -41.24 68.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 71.23 110.901 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 605' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -71.28 -32.99 69.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 71.25 110.874 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 606' ' ' ARG . . . . . . . . . . . . . 26.7 ttm-85 -80.94 -40.48 24.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 75.1 110.847 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -83.81 -70.97 0.53 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 65.12 111.074 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 608' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -71.08 125.49 27.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 74.33 110.849 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -71.21 -33.76 70.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.114 -0.494 . . . . 71.41 110.799 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -98.93 53.95 0.99 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 73.25 110.858 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 611' ' ' ALA . . . . . . . . . . . . . . . -86.31 52.87 2.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.101 -0.5 . . . . 65.4 111.078 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -98.68 -64.61 1.02 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 72.21 110.867 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 613' ' ' HIS . . . . . . . . . . . . . 5.0 t-160 -109.02 25.97 11.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 71.21 110.866 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 614' ' ' ARG . . . . . . . . . . . . . 16.1 tpp180 -87.97 156.16 19.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.449 . . . . 63.51 110.907 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 615' ' ' THR . . . . . 0.661 ' OG1' HG12 ' A' ' 617' ' ' VAL . 5.3 t -88.52 160.58 17.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 53.41 111.169 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 616' ' ' TYR . . . . . . . . . . . . . 16.8 p90 -87.84 -24.53 23.68 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.195 -0.457 . . . . 73.42 110.933 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 617' ' ' VAL . . . . . 0.661 HG12 ' OG1' ' A' ' 615' ' ' THR . 12.2 p -65.17 -32.55 58.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.084 -0.507 . . . . 73.24 111.172 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 618' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -51.52 -29.72 17.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 65.34 110.89 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 619' ' ' LEU . . . . . 0.67 HD12 ' HB3' ' A' ' 600' ' ' TRP . 4.5 mt -77.18 -53.06 8.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 72.24 110.97 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 620' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.39 -33.09 73.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 72.44 110.91 179.807 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -68.98 -50.44 49.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 71.34 110.914 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.5 -33.73 74.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 74.51 110.917 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 623' ' ' TRP . . . . . 0.729 ' CZ3' HG23 ' A' ' 650' ' ' VAL . 9.1 t-105 -74.19 -54.98 6.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 63.31 110.912 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 2.6 tmtt? -51.64 -45.48 63.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 73.2 110.896 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 9.0 t -71.04 -28.99 64.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.25 -0.432 . . . . 63.12 111.159 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 626' ' ' LEU . . . . . 0.664 ' HG ' HG21 ' A' ' 650' ' ' VAL . 4.7 tp -71.19 -55.07 8.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 71.1 110.844 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 627' ' ' VAL . . . . . 0.76 HG21 ' CG ' ' A' ' 654' ' ' HIS . 6.3 p -57.43 -43.84 83.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 71.54 111.106 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 628' ' ' HIS . . . . . 0.488 ' HA ' HD13 ' A' ' 632' ' ' ILE . 0.1 OUTLIER -57.86 -39.32 77.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 73.3 110.857 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 629' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -66.31 -29.63 69.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 65.52 111.049 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 630' ' ' ALA . . . . . 0.764 ' HA ' HD13 ' A' ' 647' ' ' LEU . . . -54.26 -49.04 70.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.307 -0.406 . . . . 61.3 111.093 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 631' ' ' SER . . . . . 0.74 ' C ' HD12 ' A' ' 632' ' ' ILE . 11.5 t 173.54 69.27 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.429 . . . . 73.05 110.842 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 632' ' ' ILE . . . . . 0.74 HD12 ' C ' ' A' ' 631' ' ' SER . 1.9 mp -129.07 -72.57 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 61.23 111.086 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 633' ' ' ALA . . . . . 0.525 ' N ' HG22 ' A' ' 632' ' ' ILE . . . -103.42 147.5 34.28 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.596 0.712 . . . . 73.32 111.084 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 634' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -37.49 9.16 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.657 2.238 . . . . 63.34 112.332 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 635' ' ' GLN . . . . . . . . . . . . . 24.0 mm-40 -65.63 -14.86 62.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.267 -0.424 . . . . 71.34 110.883 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -81.53 -33.52 31.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 65.4 110.846 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 637' ' ' ARG . . . . . . . . . . . . . 17.0 mmt85 -84.66 114.39 21.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 74.51 110.858 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 638' ' ' ARG . . . . . . . . . . . . . 19.5 mmt85 -113.41 -55.06 2.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.107 -0.497 . . . . 63.31 110.838 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 639' ' ' GLY . . . . . . . . . . . . . . . 153.76 -18.5 0.66 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.7 -0.762 . . . . 42.22 112.459 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 640' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -50.71 154.95 2.1 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.644 0.735 . . . . 75.42 110.924 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.76 121.24 7.93 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.734 2.289 . . . . 73.21 112.295 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 642' ' ' VAL . . . . . 0.525 HG21 HD11 ' A' ' 647' ' ' LEU . 3.2 p -133.37 134.45 23.94 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.686 0.755 . . . . 71.41 111.092 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 643' ' ' PRO . . . . . 0.69 ' HG3' HG13 ' A' ' 582' ' ' VAL . 53.7 Cg_endo -69.76 128.74 16.46 Favored 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 122.715 2.277 . . . . 70.41 112.323 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 44.0 tt0 -70.25 -25.61 63.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.232 -0.44 . . . . 64.02 110.949 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -64.56 -39.14 93.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.179 -0.464 . . . . 54.33 110.871 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 646' ' ' LEU . . . . . . . . . . . . . 17.5 mt -75.39 -42.64 53.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 74.34 110.944 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 647' ' ' LEU . . . . . 0.764 HD13 ' HA ' ' A' ' 630' ' ' ALA . 44.5 mt -67.62 -35.49 79.03 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.174 -0.466 . . . . 73.41 110.868 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -72.72 -39.8 66.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 72.12 110.892 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 16.5 mmt180 -74.69 -48.48 25.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 73.41 110.845 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 650' ' ' VAL . . . . . 0.729 HG23 ' CZ3' ' A' ' 623' ' ' TRP . 9.8 p -55.9 -35.61 41.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.238 -0.437 . . . . 71.32 111.133 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 651' ' ' LEU . . . . . 0.592 HD11 ' HB1' ' A' ' 630' ' ' ALA . 39.4 mt -72.94 -37.65 67.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 74.23 110.903 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -57.24 -52.49 65.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 61.53 111.1 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 653' ' ' ALA . . . . . 0.553 ' HB3' ' HH2' ' A' ' 623' ' ' TRP . . . -70.62 -44.09 67.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.431 . . . . 65.22 111.084 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 654' ' ' HIS . . . . . 0.76 ' CG ' HG21 ' A' ' 627' ' ' VAL . 36.0 t-80 -56.08 -44.06 78.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 72.12 110.895 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -77.42 -46.76 21.63 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.16 -0.473 . . . . 64.43 111.14 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 80.2 t80 -55.56 -50.02 71.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 74.45 110.938 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 657' ' ' TRP . . . . . . . . . . . . . 69.0 m95 -70.82 -30.92 67.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.136 -0.484 . . . . 71.31 110.922 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 8.9 t -58.99 -34.61 72.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.244 -0.434 . . . . 75.31 110.875 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 659' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -56.99 -24.47 53.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 72.22 110.885 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -125.36 26.63 6.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.438 . . . . 64.4 110.889 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -157.05 177.27 11.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 72.3 110.938 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 662' ' ' GLY . . . . . . . . . . . . . . . -100.98 -155.08 27.02 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.728 -0.749 . . . . 64.51 112.391 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -172.7 -176.28 1.46 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.719 0.295 . . . . 62.22 110.881 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 10.0 mm100 -129.39 -176.43 3.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 72.5 110.948 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 665' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -160.79 121.49 2.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 61.42 110.877 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 666' ' ' VAL . . . . . . . . . . . . . 7.7 p -177.15 137.34 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 71.5 111.155 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -118.77 160.4 40.56 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.619 0.723 . . . . 70.31 110.907 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 668' ' ' PRO . . . . . 0.597 ' HB2' HD23 ' A' ' 669' ' ' LEU . 53.6 Cg_endo -69.75 -48.36 0.74 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.692 2.261 . . . . 74.31 112.348 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 669' ' ' LEU . . . . . 0.597 HD23 ' HB2' ' A' ' 668' ' ' PRO . 1.3 pt? -172.83 -171.41 0.76 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 71.32 110.887 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 670' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.56 152.68 32.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 60.12 110.929 179.823 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 671' ' ' ILE . . . . . . . . . . . . . 17.7 tt -175.58 147.21 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.434 . . . . 73.3 111.161 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 5.1 tp -115.4 126.97 55.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 71.22 110.953 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 673' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -175.76 128.46 0.24 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 63.41 110.879 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -176.5 140.29 0.36 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 70.34 111.022 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.32 165.35 3.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 73.14 110.876 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . 59.97 34.64 21.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 75.31 111.133 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -96.08 76.36 3.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 63.33 110.907 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 678' ' ' LYS . . . . . . . . . . . . . 8.9 tmtt? -105.74 85.23 2.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.468 . . . . 64.04 110.953 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 679' ' ' VAL . . . . . . . . . . . . . 25.7 t -121.07 91.72 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 61.23 111.212 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 680' ' ' GLY . . . . . . . . . . . . . . . 66.72 -149.08 51.13 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.734 -0.746 . . . . 72.11 112.497 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 681' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-O 120.781 0.324 . . . . 64.25 111.065 -179.999 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 561' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--O 1.231 0.147 0 CA-C-O 120.84 0.267 . . . . 65.23 112.298 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 562' ' ' VAL . . . . . . . . . . . . . 6.8 p -175.27 125.28 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.184 -0.462 . . . . 74.51 111.056 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 563' ' ' ASN . . . . . . . . . . . . . 6.7 p-10 -173.02 154.57 2.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.117 -0.492 . . . . 74.21 110.875 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 -142.92 156.08 44.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 54.15 110.954 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 565' ' ' LYS . . . . . . . . . . . . . 8.6 pttp -176.24 114.6 0.12 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 64.14 110.893 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 1.3 m -127.14 130.29 49.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 65.41 110.911 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 567' ' ' LYS . . . . . . . . . . . . . 32.6 mtpt -149.39 140.74 23.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.494 . . . . 73.32 110.938 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 12.1 ptt180 -175.16 151.27 1.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.293 -0.412 . . . . 73.23 110.939 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 74.2 m -117.12 151.8 36.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.243 -0.435 . . . . 62.34 110.791 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -139.2 178.76 6.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 75.22 110.867 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 33.7 mt -74.46 -170.28 0.98 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 70.43 110.936 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 8.5 t -157.12 134.07 10.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 63.22 110.879 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 573' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -160.8 159.95 30.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.089 -0.505 . . . . 74.21 110.903 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 574' ' ' ARG . . . . . . . . . . . . . 3.1 tmm_? -131.24 116.27 17.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 72.41 110.821 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -176.93 143.79 0.43 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 75.23 110.865 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 576' ' ' ILE . . . . . . . . . . . . . 6.8 tp -116.1 144.58 23.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.482 . . . . 62.14 111.088 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 15.6 ttm-85 -100.59 -77.94 0.53 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.472 . . . . 64.23 110.854 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 578' ' ' ARG . . . . . . . . . . . . . 63.6 mtp180 -121.29 155.55 58.53 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.593 0.711 . . . . 71.13 110.828 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 81.49 0.81 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.684 2.256 . . . . 52.42 112.35 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 580' ' ' PHE . . . . . . . . . . . . . 10.6 p90 -92.51 141.86 28.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 74.05 110.851 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 34.7 m -109.06 -178.57 3.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.105 -0.498 . . . . 53.03 110.839 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 582' ' ' VAL . . . . . 0.59 HG13 ' HG3' ' A' ' 643' ' ' PRO . 85.8 t -51.7 -37.66 20.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.486 . . . . 60.43 111.155 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -69.97 -35.08 74.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 71.22 111.1 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 584' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -74.71 -52.86 10.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.291 -0.413 . . . . 64.24 110.893 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 585' ' ' VAL . . . . . 0.639 HG22 ' HE2' ' A' ' 622' ' ' LYS . 88.5 t -53.8 -33.88 24.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 33.44 111.136 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -60.69 -30.96 70.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 72.41 110.869 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 587' ' ' ALA . . . . . . . . . . . . . . . -71.25 -47.91 54.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 73.51 111.128 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 588' ' ' LEU . . . . . 0.632 HD21 ' HA ' ' A' ' 619' ' ' LEU . 0.1 OUTLIER -54.38 -54.88 34.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 71.01 110.92 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 589' ' ' VAL . . . . . 0.737 HG11 HD22 ' A' ' 646' ' ' LEU . 4.5 p -62.43 -46.47 96.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 61.22 111.181 179.832 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 590' ' ' GLU . . . . . 0.469 ' N ' HG13 ' A' ' 589' ' ' VAL . 37.7 mt-10 -51.45 -47.45 63.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.117 -0.492 . . . . 64.42 110.916 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 591' ' ' ALA . . . . . 0.433 ' HB3' HG13 ' A' ' 603' ' ' VAL . . . -70.13 -35.06 73.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.136 -0.483 . . . . 73.54 111.165 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 592' ' ' VAL . . . . . 0.413 ' O ' ' CA ' ' A' ' 596' ' ' GLY . 4.3 t -70.53 -27.94 33.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.197 -0.456 . . . . 54.43 111.097 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 593' ' ' GLU . . . . . 0.451 ' OE2' ' HB2' ' A' ' 653' ' ' ALA . 1.2 mm-40 -75.64 -35.31 60.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 63.41 110.889 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -85.6 -48.01 9.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 63.42 110.903 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 595' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -82.09 -24.65 35.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 64.33 110.879 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 596' ' ' GLY . . . . . 0.413 ' CA ' ' O ' ' A' ' 592' ' ' VAL . . . 89.96 -145.37 18.17 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.737 -0.744 . . . . 61.54 112.537 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 597' ' ' THR . . . . . 0.429 HG21 ' CD2' ' A' ' 654' ' ' HIS . 3.2 p -122.61 27.98 7.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.825 0.345 . . . . 75.15 111.162 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 598' ' ' GLY . . . . . . . . . . . . . . . -131.84 1.8 5.14 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.761 -0.733 . . . . 74.24 112.455 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 599' ' ' ARG . . . . . 0.623 ' O ' HG23 ' A' ' 603' ' ' VAL . 61.6 mtm-85 -128.09 83.03 2.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.767 0.318 . . . . 74.54 110.927 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 600' ' ' TRP . . . . . 0.45 ' HB3' HD11 ' A' ' 619' ' ' LEU . 10.8 m0 -69.35 -50.61 44.75 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.234 -0.439 . . . . 74.31 110.905 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 601' ' ' ARG . . . . . . . . . . . . . 18.5 ptt180 -53.58 -47.82 69.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.436 . . . . 75.02 110.85 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 602' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -61.62 -36.99 82.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.438 . . . . 55.3 110.882 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 603' ' ' VAL . . . . . 0.623 HG23 ' O ' ' A' ' 599' ' ' ARG . 24.8 t -62.58 -31.95 53.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.455 . . . . 72.3 111.094 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.98 -46.77 64.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 64.35 110.847 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 605' ' ' MET . . . . . . . . . . . . . 3.3 mmt -69.94 -31.36 69.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.426 . . . . 71.05 110.895 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 606' ' ' ARG . . . . . . . . . . . . . 15.7 tpp180 -78.91 -40.58 31.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 73.2 110.917 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -79.29 -65.64 0.97 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 71.22 111.111 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 608' ' ' PHE . . . . . 0.552 ' HB2' ' HB2' ' A' ' 611' ' ' ALA . 67.6 m-85 -71.2 124.71 25.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.275 -0.421 . . . . 73.54 110.87 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -72.26 -34.38 68.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 51.41 110.896 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 30.3 t-20 -133.35 68.23 1.5 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 73.51 110.859 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 611' ' ' ALA . . . . . 0.552 ' HB2' ' HB2' ' A' ' 608' ' ' PHE . . . -85.87 84.43 7.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 65.33 111.088 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.58 -58.72 5.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 63.12 110.864 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 613' ' ' HIS . . . . . . . . . . . . . 17.9 m170 -93.07 137.19 32.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 62.4 110.857 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 614' ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? -74.05 102.94 4.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 73.21 110.905 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 615' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.26 159.25 15.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 74.22 111.183 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 616' ' ' TYR . . . . . . . . . . . . . 24.6 p90 -141.32 -40.42 0.39 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 73.3 110.958 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 617' ' ' VAL . . . . . . . . . . . . . 9.3 p -69.17 -33.92 60.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.059 -0.518 . . . . 70.5 111.137 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 618' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.67 -51.44 67.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.496 . . . . 71.34 110.839 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 619' ' ' LEU . . . . . 0.632 ' HA ' HD21 ' A' ' 588' ' ' LEU . 4.5 pp -75.71 -21.54 57.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 73.4 110.896 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 620' ' ' LYS . . . . . 0.447 ' N ' HD12 ' A' ' 619' ' ' LEU . 13.5 ttmm -74.53 -39.85 62.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.242 -0.435 . . . . 73.11 110.853 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 49.0 t0 -71.2 -45.89 62.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.262 -0.426 . . . . 64.15 110.878 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 622' ' ' LYS . . . . . 0.639 ' HE2' HG22 ' A' ' 585' ' ' VAL . 1.0 OUTLIER -63.23 -33.86 76.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 50.21 110.949 179.952 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 623' ' ' TRP . . . . . 0.45 ' O ' HG23 ' A' ' 627' ' ' VAL . 0.4 OUTLIER -66.64 -45.32 79.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 73.34 110.894 179.897 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -55.78 -54.44 44.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 64.23 110.901 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 4.2 t -62.04 -34.3 75.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 74.32 111.156 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 626' ' ' LEU . . . . . 1.08 HD22 HG21 ' A' ' 650' ' ' VAL . 0.4 OUTLIER -56.1 -53.58 55.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 65.42 110.904 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 627' ' ' VAL . . . . . 0.638 ' O ' HD13 ' A' ' 632' ' ' ILE . 8.3 t -59.84 -55.41 24.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.283 -0.417 . . . . 73.51 111.09 179.828 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 628' ' ' HIS . . . . . 0.472 ' HA ' ' HB ' ' A' ' 632' ' ' ILE . 5.8 m-70 -53.51 -27.06 23.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 64.13 110.863 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 629' ' ' THR . . . . . . . . . . . . . 52.2 m -75.97 -31.24 58.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.256 -0.429 . . . . 73.23 111.149 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 630' ' ' ALA . . . . . 0.607 ' HA ' HD13 ' A' ' 647' ' ' LEU . . . -53.01 -51.21 62.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 73.11 111.137 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 631' ' ' SER . . . . . 0.668 ' C ' HD12 ' A' ' 632' ' ' ILE . 10.8 t 169.9 66.66 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 75.55 110.845 -179.813 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 632' ' ' ILE . . . . . 0.668 HD12 ' C ' ' A' ' 631' ' ' SER . 1.9 mp -120.37 -76.63 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 71.41 111.147 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 633' ' ' ALA . . . . . 0.664 ' HB3' ' HB2' ' A' ' 636' ' ' GLN . . . -104.6 140.17 20.81 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.661 0.743 . . . . 70.41 111.114 179.79 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 634' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -43.98 2.32 Favored 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.624 2.216 . . . . 42.23 112.362 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 635' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -76.52 -12.87 60.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 74.43 110.967 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 636' ' ' GLN . . . . . 0.664 ' HB2' ' HB3' ' A' ' 633' ' ' ALA . 14.9 mm100 -79.87 -2.48 43.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 73.42 110.935 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 637' ' ' ARG . . . . . . . . . . . . . 78.6 mtp180 -65.17 114.83 4.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 72.4 110.847 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 638' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -51.49 -29.06 15.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 75.24 110.877 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 639' ' ' GLY . . . . . . . . . . . . . . . 105.14 -53.83 0.64 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.721 -0.752 . . . . 71.52 112.484 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 640' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -60.99 160.53 20.31 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.61 0.719 . . . . 70.21 110.906 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.74 122.05 8.74 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.697 2.265 . . . . 72.24 112.309 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 642' ' ' VAL . . . . . 0.814 HG21 HD11 ' A' ' 647' ' ' LEU . 5.5 m -114.06 139.16 23.33 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.617 0.723 . . . . 74.41 111.173 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 643' ' ' PRO . . . . . 0.59 ' HG3' HG13 ' A' ' 582' ' ' VAL . 54.2 Cg_endo -69.68 128.24 15.82 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.641 2.228 . . . . 71.22 112.396 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 11.1 tp60 -65.47 -19.61 66.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.182 -0.463 . . . . 75.1 110.911 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -69.21 -38.07 78.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 72.32 110.9 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 646' ' ' LEU . . . . . 0.748 ' O ' HG23 ' A' ' 650' ' ' VAL . 59.6 mt -75.27 -53.79 8.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.49 . . . . 64.02 110.939 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 647' ' ' LEU . . . . . 0.814 HD11 HG21 ' A' ' 642' ' ' VAL . 34.9 mt -52.46 -43.74 65.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 74.33 110.929 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -61.65 -48.83 79.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 74.23 110.805 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -60.79 -44.34 96.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 75.35 110.848 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 650' ' ' VAL . . . . . 1.08 HG21 HD22 ' A' ' 626' ' ' LEU . 62.1 t -54.63 -48.6 71.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 74.43 111.107 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 651' ' ' LEU . . . . . 0.54 HD22 ' HB1' ' A' ' 630' ' ' ALA . 1.3 mp -71.43 -25.22 62.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 71.21 110.95 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -66.95 -49.1 66.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.471 . . . . 75.1 111.137 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 653' ' ' ALA . . . . . 0.451 ' HB2' ' OE2' ' A' ' 593' ' ' GLU . . . -71.06 -49.31 46.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.441 . . . . 55.44 111.068 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 654' ' ' HIS . . . . . 0.429 ' CD2' HG21 ' A' ' 597' ' ' THR . 36.1 m170 -58.23 -31.42 67.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 72.01 110.903 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -70.96 -46.88 61.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 74.22 111.096 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 85.7 t80 -67.98 -44.9 75.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.283 -0.417 . . . . 74.2 110.93 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 657' ' ' TRP . . . . . . . . . . . . . 20.8 m95 -64.13 -43.9 93.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.09 -0.505 . . . . 73.12 110.873 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 38.4 m -62.79 -31.84 72.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 44.34 110.813 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 659' ' ' GLN . . . . . . . . . . . . . 18.8 tp60 -57.28 -24.37 54.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 75.14 110.899 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -136.0 54.43 1.9 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 64.53 110.918 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -110.01 -74.72 0.64 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 74.44 110.863 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 662' ' ' GLY . . . . . . . . . . . . . . . 155.6 -39.08 0.61 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.694 -0.765 . . . . 63.44 112.447 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 2.3 tmtm? 64.01 102.14 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.679 0.276 . . . . 72.15 110.908 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -52.07 -45.89 64.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 63.33 110.908 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 665' ' ' HIS . . . . . . . . . . . . . 6.1 m80 -87.72 65.99 8.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 71.5 110.882 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 666' ' ' VAL . . . . . 0.59 ' CG2' HD13 ' A' ' 671' ' ' ILE . 14.2 p -54.59 147.27 3.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 62.21 111.114 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 667' ' ' GLU . . . . . 0.419 ' O ' HD23 ' A' ' 669' ' ' LEU . 12.8 mt-10 -108.89 160.64 26.62 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.657 0.741 . . . . 72.14 110.889 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 668' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 78.58 1.01 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.71 2.274 . . . . 73.54 112.361 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 669' ' ' LEU . . . . . 0.419 HD23 ' O ' ' A' ' 667' ' ' GLU . 2.2 pt? -173.51 -175.15 1.08 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 75.32 110.851 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 670' ' ' LYS . . . . . . . . . . . . . 15.3 ttpt -67.39 131.58 45.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 65.15 110.915 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 671' ' ' ILE . . . . . 0.59 HD13 ' CG2' ' A' ' 666' ' ' VAL . 4.4 pt -147.56 -178.12 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 55.45 111.177 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 30.4 tp -159.91 136.78 9.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.225 -0.443 . . . . 72.01 110.898 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 673' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -111.84 159.86 17.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 74.25 110.787 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -177.0 177.69 1.24 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.138 -0.483 . . . . 55.15 111.052 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -170.38 -175.47 1.93 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 72.44 110.902 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . -124.64 135.76 53.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 64.53 111.103 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -111.06 172.19 7.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 70.51 110.938 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 678' ' ' LYS . . . . . . . . . . . . . 37.2 tttt -106.52 114.58 28.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 63.24 110.915 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 679' ' ' VAL . . . . . . . . . . . . . 12.0 p -151.36 138.05 12.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 74.14 111.136 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 680' ' ' GLY . . . . . . . . . . . . . . . -135.26 -78.96 0.1 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.707 -0.759 . . . . 54.24 112.435 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 681' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 120.707 0.289 . . . . 70.12 111.075 -179.99 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 561' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo . . . . . 0 C--O 1.232 0.194 0 CA-C-O 120.794 0.248 . . . . 64.21 112.382 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 562' ' ' VAL . . . . . . . . . . . . . 30.6 m -65.43 -25.5 37.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 75.11 111.103 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 563' ' ' ASN . . . . . . . . . . . . . 18.5 t30 -102.44 72.05 1.24 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 75.52 110.929 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -102.17 -175.24 2.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.466 . . . . 75.12 110.939 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 565' ' ' LYS . . . . . . . . . . . . . 33.1 mtpt -126.29 87.31 2.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 74.2 110.888 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 2.2 t -115.1 106.31 13.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.248 -0.433 . . . . 71.31 110.866 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 567' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.43 157.02 47.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 65.42 110.961 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 23.9 ptt180 -154.06 149.51 27.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 62.25 110.843 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 16.4 t -90.87 120.08 31.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 61.33 110.856 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 17.9 tp10 -119.82 142.87 48.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.081 -0.509 . . . . 74.14 110.883 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 9.0 mp -113.82 70.67 0.73 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.482 . . . . 71.43 110.96 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 2.2 m -113.65 162.2 16.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.457 . . . . 72.44 110.887 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 573' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -114.3 105.97 13.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 73.22 110.879 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 574' ' ' ARG . . . . . . . . . . . . . 20.7 ttm-85 -127.75 121.07 29.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.193 -0.458 . . . . 74.12 110.82 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -105.3 53.58 0.72 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 73.43 110.895 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 576' ' ' ILE . . . . . . . . . . . . . 49.2 mt -124.8 116.43 47.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.483 . . . . 70.43 111.123 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 29.3 ptt85 -150.69 173.29 14.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 71.24 110.858 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 578' ' ' ARG . . . . . . . . . . . . . 24.6 mtp85 -114.07 160.1 33.72 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.555 0.693 . . . . 75.2 110.914 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 134.3 27.68 Favored 'Trans proline' 0 N--CA 1.466 -0.131 0 C-N-CA 122.737 2.291 . . . . 64.35 112.351 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 580' ' ' PHE . . . . . . . . . . . . . 8.6 p90 -92.65 136.84 32.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 75.34 110.85 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 581' ' ' SER . . . . . 0.489 ' O ' HG23 ' A' ' 585' ' ' VAL . 50.9 m -102.33 -179.01 3.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.122 -0.49 . . . . 53.44 110.843 -179.809 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 582' ' ' VAL . . . . . 0.558 HG13 ' HG3' ' A' ' 643' ' ' PRO . 91.1 t -60.64 -42.49 91.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 70.22 111.136 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -70.01 -31.64 69.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 71.11 111.138 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 584' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -75.28 -55.23 5.92 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.228 -0.442 . . . . 73.42 110.926 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 585' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 581' ' ' SER . 98.2 t -54.75 -34.17 29.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 74.43 111.143 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -51.35 -31.04 20.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 73.4 110.861 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 587' ' ' ALA . . . . . 0.643 ' HB1' ' HA ' ' A' ' 607' ' ' ALA . . . -70.18 -37.44 75.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 70.24 111.104 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 588' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.93 -54.73 41.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 75.23 110.897 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 589' ' ' VAL . . . . . 0.629 ' CG2' HG23 ' A' ' 650' ' ' VAL . 7.7 p -66.41 -43.67 91.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.128 -0.487 . . . . 73.41 111.207 179.814 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 590' ' ' GLU . . . . . 0.444 ' N ' HG13 ' A' ' 589' ' ' VAL . 54.6 mt-10 -52.47 -47.77 66.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 73.4 110.869 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 591' ' ' ALA . . . . . 0.59 ' HB1' ' HA ' ' A' ' 603' ' ' VAL . . . -67.03 -34.67 78.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.481 . . . . 73.21 111.097 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 592' ' ' VAL . . . . . 0.426 HG11 ' NE2' ' A' ' 654' ' ' HIS . 24.1 t -74.21 -26.29 20.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.452 . . . . 70.31 111.152 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.54 -40.47 63.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.485 . . . . 74.05 110.918 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -86.01 -47.09 9.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.071 -0.513 . . . . 74.54 110.872 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 595' ' ' LEU . . . . . 0.47 HD13 ' HB2' ' A' ' 602' ' ' ASP . 17.3 mt -79.29 -23.85 43.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 62.42 110.862 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 596' ' ' GLY . . . . . 0.406 ' CA ' ' O ' ' A' ' 592' ' ' VAL . . . 87.87 -151.19 22.84 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.748 -0.739 . . . . 42.01 112.453 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 6.6 p -116.89 29.51 7.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.783 0.325 . . . . 72.53 111.113 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 598' ' ' GLY . . . . . . . . . . . . . . . -127.71 -4.0 5.82 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.709 -0.758 . . . . 44.43 112.51 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 599' ' ' ARG . . . . . 0.711 ' O ' HG23 ' A' ' 603' ' ' VAL . 32.1 mtt180 -124.3 79.85 1.78 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.807 0.337 . . . . 64.42 110.876 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 600' ' ' TRP . . . . . . . . . . . . . 15.7 m0 -67.65 -48.54 66.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.205 -0.452 . . . . 72.11 110.924 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 601' ' ' ARG . . . . . . . . . . . . . 33.5 mmt180 -52.82 -47.93 67.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.441 . . . . 74.54 110.868 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 602' ' ' ASP . . . . . 0.47 ' HB2' HD13 ' A' ' 595' ' ' LEU . 2.8 m-20 -62.53 -36.34 82.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 72.41 110.831 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 603' ' ' VAL . . . . . 0.711 HG23 ' O ' ' A' ' 599' ' ' ARG . 55.2 t -62.95 -31.99 54.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 75.25 111.06 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 14.2 ttmm -70.13 -48.85 55.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 64.53 110.897 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 605' ' ' MET . . . . . . . . . . . . . 6.0 ptm -71.4 -31.22 67.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 72.33 110.938 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 606' ' ' ARG . . . . . . . . . . . . . 7.0 tpm_? -77.02 -41.1 44.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 71.42 110.848 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 607' ' ' ALA . . . . . 0.643 ' HA ' ' HB1' ' A' ' 587' ' ' ALA . . . -85.24 -69.23 0.67 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 74.14 111.062 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 608' ' ' PHE . . . . . . . . . . . . . 72.0 m-85 -70.9 124.91 25.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 73.55 110.904 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -71.75 -34.24 69.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 64.31 110.873 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 49.9 p-10 -98.28 39.27 1.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 72.12 110.907 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 611' ' ' ALA . . . . . . . . . . . . . . . -59.67 -173.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 74.34 111.094 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 63.29 24.29 14.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 70.32 110.84 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 613' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 -133.72 -43.88 0.82 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 71.24 110.854 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 614' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -100.79 156.43 17.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 65.33 110.909 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 615' ' ' THR . . . . . 0.748 ' HB ' HG12 ' A' ' 617' ' ' VAL . 4.3 m -74.41 158.11 34.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 60.44 111.176 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 616' ' ' TYR . . . . . . . . . . . . . 27.6 p90 -61.1 -22.01 64.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.445 . . . . 74.1 110.907 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 617' ' ' VAL . . . . . 0.748 HG12 ' HB ' ' A' ' 615' ' ' THR . 14.7 p -51.34 -33.11 13.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.061 -0.518 . . . . 75.12 111.1 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 618' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.32 -51.0 67.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 72.42 110.797 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 619' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -71.49 -25.07 62.11 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.226 -0.443 . . . . 62.42 110.904 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 620' ' ' LYS . . . . . . . . . . . . . 21.8 tttt -69.37 -38.92 78.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 72.14 110.892 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -71.57 -44.45 64.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.446 . . . . 73.45 110.899 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.16 -31.23 71.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 74.53 110.881 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 623' ' ' TRP . . . . . 0.468 ' O ' HG23 ' A' ' 627' ' ' VAL . 0.8 OUTLIER -71.57 -53.97 12.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 73.51 110.903 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 9.6 tmtt? -57.32 -48.91 77.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 75.15 110.89 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 12.3 t -62.07 -30.93 71.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.295 -0.411 . . . . 75.55 111.169 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 626' ' ' LEU . . . . . 0.406 HD13 HG21 ' A' ' 650' ' ' VAL . 2.6 mt -64.8 -54.74 26.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 74.24 110.909 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 627' ' ' VAL . . . . . 0.684 ' O ' HD13 ' A' ' 632' ' ' ILE . 3.9 t -57.37 -55.64 19.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 72.2 111.084 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 628' ' ' HIS . . . . . 0.467 ' HA ' ' HB ' ' A' ' 632' ' ' ILE . 12.1 m80 -52.94 -30.3 33.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 74.42 110.824 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 629' ' ' THR . . . . . . . . . . . . . 39.9 m -79.44 -29.75 41.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.25 -0.432 . . . . 74.43 111.129 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 630' ' ' ALA . . . . . 0.65 ' HA ' HD13 ' A' ' 647' ' ' LEU . . . -54.13 -49.87 68.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.267 -0.424 . . . . 71.31 111.089 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 631' ' ' SER . . . . . 0.618 ' C ' HD12 ' A' ' 632' ' ' ILE . 0.5 OUTLIER 171.02 67.58 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 74.44 110.829 -179.775 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 632' ' ' ILE . . . . . 0.684 HD13 ' O ' ' A' ' 627' ' ' VAL . 1.7 mp -118.24 -66.13 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 75.54 111.137 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 633' ' ' ALA . . . . . 0.473 ' N ' HG22 ' A' ' 632' ' ' ILE . . . -101.84 155.87 35.9 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.542 0.687 . . . . 43.05 111.118 179.8 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 634' ' ' PRO . . . . . 0.434 ' HD2' ' HB1' ' A' ' 633' ' ' ALA . 53.2 Cg_endo -69.87 -40.46 5.13 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.643 2.229 . . . . 55.13 112.334 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 635' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -64.99 -17.14 64.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 73.34 110.87 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 -81.99 -32.37 30.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 61.44 110.897 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 637' ' ' ARG . . . . . . . . . . . . . 11.1 ttt180 -83.96 150.65 25.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.255 -0.43 . . . . 70.44 110.858 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 638' ' ' ARG . . . . . . . . . . . . . 4.1 tpp180 63.74 97.73 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 73.15 110.828 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 639' ' ' GLY . . . . . . . . . . . . . . . 169.55 -131.74 2.35 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.734 -0.746 . . . . 75.4 112.512 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 640' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -52.1 159.97 1.33 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.728 0.775 . . . . 70.24 110.817 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 120.41 7.19 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.686 2.258 . . . . 72.24 112.267 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 642' ' ' VAL . . . . . 0.731 HG21 HD11 ' A' ' 647' ' ' LEU . 2.1 p -134.24 131.46 20.65 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.587 0.708 . . . . 75.44 111.11 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 643' ' ' PRO . . . . . 0.558 ' HG3' HG13 ' A' ' 582' ' ' VAL . 54.0 Cg_endo -69.73 128.64 16.35 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.657 2.238 . . . . 63.42 112.366 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -75.65 -19.27 59.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.255 -0.43 . . . . 73.32 110.893 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -70.7 -38.85 73.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 54.21 110.861 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 646' ' ' LEU . . . . . . . . . . . . . 13.3 mt -75.51 -46.05 34.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 72.53 110.903 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 647' ' ' LEU . . . . . 0.731 HD11 HG21 ' A' ' 642' ' ' VAL . 39.4 mt -60.12 -52.1 66.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 74.55 110.912 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -56.4 -48.7 76.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 50.53 110.879 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 36.7 mmm-85 -65.24 -28.41 69.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 72.31 110.872 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 650' ' ' VAL . . . . . 0.629 HG23 ' CG2' ' A' ' 589' ' ' VAL . 0.9 OUTLIER -69.92 -47.01 71.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 74.1 111.108 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 651' ' ' LEU . . . . . 0.429 ' O ' ' HB2' ' A' ' 655' ' ' ALA . 27.5 mt -72.82 -25.75 61.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.173 -0.467 . . . . 52.33 110.885 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -67.12 -52.56 40.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 73.32 111.095 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -68.56 -53.06 25.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 64.5 111.1 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 654' ' ' HIS . . . . . 0.528 ' CE1' HG22 ' A' ' 627' ' ' VAL . 64.0 m170 -54.52 -30.62 54.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 75.54 110.839 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 655' ' ' ALA . . . . . 0.429 ' HB2' ' O ' ' A' ' 651' ' ' LEU . . . -69.79 -46.99 64.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.259 -0.428 . . . . 74.11 111.173 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 66.8 t80 -69.16 -48.98 60.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 73.33 110.963 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 657' ' ' TRP . . . . . . . . . . . . . 21.8 m95 -58.62 -41.23 85.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 74.24 110.896 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 19.9 t -71.25 -30.66 66.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.436 . . . . 64.14 110.812 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 659' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -57.06 -26.37 60.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 53.32 110.903 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 10.0 mm-40 -80.52 -25.95 38.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.459 . . . . 65.52 110.901 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 57.9 mt-30 -77.69 172.78 12.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 73.33 110.885 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 662' ' ' GLY . . . . . . . . . . . . . . . -113.27 62.61 0.31 Allowed Glycine 0 C--N 1.331 0.258 0 C-N-CA 120.647 -0.787 . . . . 54.54 112.416 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 2.5 mppt? -137.88 159.21 42.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.752 0.31 . . . . 75.04 110.923 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -151.44 144.54 24.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 73.54 110.924 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 665' ' ' HIS . . . . . . . . . . . . . 54.1 t60 -141.98 146.77 35.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 73.3 110.835 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 666' ' ' VAL . . . . . . . . . . . . . 18.3 m -121.38 134.56 64.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.459 . . . . 64.41 111.1 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -136.02 157.55 75.59 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.659 0.742 . . . . 63.42 110.917 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 668' ' ' PRO . . . . . 0.609 ' C ' HD13 ' A' ' 669' ' ' LEU . 53.2 Cg_endo -69.79 164.23 35.34 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.699 2.266 . . . . 74.02 112.348 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 669' ' ' LEU . . . . . 0.609 HD13 ' C ' ' A' ' 668' ' ' PRO . 0.0 OUTLIER -156.4 170.72 21.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 55.43 110.864 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 670' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.14 138.07 12.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 74.14 110.964 179.832 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 671' ' ' ILE . . . . . . . . . . . . . 7.9 tt -54.44 126.36 11.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.271 -0.422 . . . . 74.45 111.158 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 17.1 mt -133.14 155.71 48.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.458 . . . . 75.2 110.958 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 673' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -58.48 143.43 45.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 72.12 110.885 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -123.75 147.1 47.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 71.11 111.116 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -172.91 137.2 0.72 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.454 . . . . 62.32 110.872 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . -130.43 160.36 34.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 72.0 111.141 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 47.1 tt0 -111.41 110.84 21.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.447 . . . . 63.32 110.923 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 678' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -82.3 90.27 6.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.249 -0.432 . . . . 75.21 110.819 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 679' ' ' VAL . . . . . . . . . . . . . 28.3 t -68.43 144.75 14.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 54.0 111.123 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 680' ' ' GLY . . . . . . . . . . . . . . . -98.07 -143.04 14.05 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.749 -0.738 . . . . 75.33 112.503 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 681' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-O 120.734 0.302 . . . . 54.44 111.08 -179.989 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 561' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.892 0.288 . . . . 62.42 112.363 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 562' ' ' VAL . . . . . . . . . . . . . 43.1 t -101.38 -56.6 5.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 64.45 111.14 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 563' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -95.71 175.16 6.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 73.1 110.918 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 82.4 mm-40 -126.43 -71.48 0.69 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 74.34 110.948 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 565' ' ' LYS . . . . . . . . . . . . . 4.7 mtmp? -65.38 110.42 2.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 62.25 110.938 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -126.87 136.73 52.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.049 0.452 . . . . 74.23 110.821 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 567' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -54.56 172.45 0.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 73.42 110.933 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 13.1 ptt85 -152.53 131.37 12.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.251 -0.431 . . . . 73.3 110.778 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 3.5 p -116.99 151.55 36.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 74.42 110.863 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -93.19 147.63 22.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 64.44 110.978 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -171.79 159.3 5.2 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.2 -0.455 . . . . 73.24 110.923 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 10.9 t -120.45 140.31 51.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 73.35 110.895 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 573' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -150.51 -178.38 6.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 62.14 110.961 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 574' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.34 130.27 52.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 74.01 110.842 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.35 139.3 0.44 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 72.2 110.828 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 576' ' ' ILE . . . . . . . . . . . . . 7.8 tp -57.95 146.48 7.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 53.01 111.103 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -122.27 157.98 30.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 61.2 110.884 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 578' ' ' ARG . . . . . . . . . . . . . 16.7 mmm180 -72.86 158.86 86.6 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.581 0.705 . . . . 72.32 110.88 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.68 134.65 28.69 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.747 2.298 . . . . 73.51 112.318 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 580' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -86.45 123.84 32.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 71.31 110.881 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 581' ' ' SER . . . . . 0.744 ' O ' HG12 ' A' ' 585' ' ' VAL . 1.2 m -76.02 158.1 32.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 73.14 110.889 -179.809 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 582' ' ' VAL . . . . . 0.49 HG13 ' HG3' ' A' ' 643' ' ' PRO . 84.8 t -52.94 -37.77 26.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.48 . . . . 71.11 111.132 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -71.99 -33.7 68.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 64.41 111.125 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 584' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -74.78 -56.08 5.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 75.13 110.887 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 585' ' ' VAL . . . . . 0.744 HG12 ' O ' ' A' ' 581' ' ' SER . 2.6 p -54.2 -32.49 23.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 43.34 111.16 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -49.94 -30.36 10.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.483 . . . . 71.0 110.902 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 587' ' ' ALA . . . . . 0.573 ' HB1' ' HA ' ' A' ' 607' ' ' ALA . . . -76.45 -40.64 49.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 71.23 111.117 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 588' ' ' LEU . . . . . 0.482 HD13 ' O ' ' A' ' 588' ' ' LEU . 1.6 tm? -56.5 -50.66 71.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 74.32 110.896 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 589' ' ' VAL . . . . . 0.766 HG21 ' HB3' ' A' ' 646' ' ' LEU . 18.5 t -63.72 -56.72 15.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.473 . . . . 71.54 111.121 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -55.16 -27.7 47.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 75.3 110.815 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 591' ' ' ALA . . . . . 0.413 ' HB2' ' HG3' ' A' ' 606' ' ' ARG . . . -75.21 -45.91 37.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 53.31 111.045 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 592' ' ' VAL . . . . . . . . . . . . . 10.7 p -74.72 -25.92 19.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 51.12 111.169 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 593' ' ' GLU . . . . . 0.652 ' OE2' ' HB2' ' A' ' 653' ' ' ALA . 0.6 OUTLIER -72.8 -42.17 64.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.124 -0.489 . . . . 72.43 110.904 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 51.0 t-80 -84.25 -46.6 11.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 73.05 110.913 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 595' ' ' LEU . . . . . 0.67 HD11 ' CB ' ' A' ' 606' ' ' ARG . 11.0 mt -79.52 -16.06 56.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.207 -0.451 . . . . 53.15 110.875 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 596' ' ' GLY . . . . . . . . . . . . . . . 83.29 167.14 41.07 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.709 -0.758 . . . . 74.54 112.501 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 2.0 p -77.9 -2.25 35.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.843 0.354 . . . . 73.21 111.124 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 598' ' ' GLY . . . . . . . . . . . . . . . -104.23 17.4 47.83 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.771 -0.728 . . . . 52.21 112.483 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 599' ' ' ARG . . . . . 0.679 ' O ' HG23 ' A' ' 603' ' ' VAL . 90.3 mtt180 -135.18 66.32 1.53 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.796 0.332 . . . . 64.12 110.904 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 600' ' ' TRP . . . . . . . . . . . . . 12.3 m0 -60.02 -50.51 73.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 64.12 110.932 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 601' ' ' ARG . . . . . . . . . . . . . 56.7 mtm180 -52.95 -47.36 68.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 64.11 110.875 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 602' ' ' ASP . . . . . 0.582 ' C ' HD13 ' A' ' 595' ' ' LEU . 1.8 m-20 -64.03 -34.41 77.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 74.24 110.812 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 603' ' ' VAL . . . . . 0.679 HG23 ' O ' ' A' ' 599' ' ' ARG . 57.3 t -65.69 -32.62 59.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.277 -0.42 . . . . 71.14 111.118 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 15.6 ttpp -68.92 -48.64 62.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 74.44 110.865 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 605' ' ' MET . . . . . . . . . . . . . 25.8 ptm -73.11 -31.37 64.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 64.34 110.905 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 606' ' ' ARG . . . . . 0.67 ' CB ' HD11 ' A' ' 595' ' ' LEU . 17.6 tpp180 -73.24 -40.69 64.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.226 -0.443 . . . . 74.42 110.909 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 607' ' ' ALA . . . . . 0.573 ' HA ' ' HB1' ' A' ' 587' ' ' ALA . . . -89.97 -69.59 0.71 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 23.11 111.091 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 608' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -70.88 125.16 26.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 71.53 110.868 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -71.47 -34.13 69.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 73.34 110.911 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -100.41 55.74 0.9 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.24 -0.437 . . . . 71.23 110.871 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 611' ' ' ALA . . . . . . . . . . . . . . . -86.43 52.04 2.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 73.41 111.08 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -97.0 -67.89 0.83 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 74.05 110.874 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 613' ' ' HIS . . . . . . . . . . . . . 46.8 m-70 -103.43 24.36 11.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 74.15 110.847 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 614' ' ' ARG . . . . . . . . . . . . . 8.7 mmt180 -89.11 156.32 18.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 63.1 110.878 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 615' ' ' THR . . . . . 0.683 ' OG1' HG12 ' A' ' 617' ' ' VAL . 4.1 t -89.24 159.83 17.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 72.41 111.172 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 616' ' ' TYR . . . . . . . . . . . . . 11.4 p90 -86.96 -19.11 29.24 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.217 -0.447 . . . . 64.25 110.961 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 617' ' ' VAL . . . . . 0.683 HG12 ' OG1' ' A' ' 615' ' ' THR . 14.9 p -71.56 -33.11 48.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 54.03 111.111 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 618' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -54.86 -51.02 67.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 75.13 110.88 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 619' ' ' LEU . . . . . 0.621 HD13 ' CG1' ' A' ' 603' ' ' VAL . 1.5 pp -71.87 -32.45 67.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 74.24 110.925 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 620' ' ' LYS . . . . . . . . . . . . . 4.9 tmtt? -63.7 -38.85 92.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 75.05 110.92 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -71.78 -41.16 68.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 53.22 110.847 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 9.2 mmtm -55.28 -41.43 72.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 73.51 110.891 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 623' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -68.73 -50.64 49.06 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.246 -0.434 . . . . 71.53 110.961 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -51.71 -54.89 23.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 75.21 110.926 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 15.2 t -61.16 -30.67 70.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.255 -0.43 . . . . 64.52 111.121 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 626' ' ' LEU . . . . . 0.698 HD23 HD23 ' A' ' 647' ' ' LEU . 0.2 OUTLIER -61.53 -49.9 74.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 72.1 110.954 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 627' ' ' VAL . . . . . 0.593 HG22 HG13 ' A' ' 650' ' ' VAL . 91.1 t -58.1 -54.64 29.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 74.14 111.164 179.795 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 628' ' ' HIS . . . . . 0.435 ' HA ' HD13 ' A' ' 632' ' ' ILE . 0.0 OUTLIER -53.61 -27.31 26.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 73.4 110.868 179.931 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 629' ' ' THR . . . . . 0.841 HG21 HG21 ' A' ' 642' ' ' VAL . 48.7 m -78.21 -28.83 48.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 61.22 111.119 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 630' ' ' ALA . . . . . 0.703 ' HA ' HD13 ' A' ' 647' ' ' LEU . . . -53.17 -50.77 63.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 72.14 111.09 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 631' ' ' SER . . . . . 0.454 ' C ' HD12 ' A' ' 632' ' ' ILE . 0.4 OUTLIER 167.73 67.19 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 52.44 110.856 -179.763 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 632' ' ' ILE . . . . . 0.557 HD13 ' O ' ' A' ' 627' ' ' VAL . 1.7 mp -110.59 -66.54 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 64.34 111.104 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 633' ' ' ALA . . . . . 0.596 ' HB3' ' CG ' ' A' ' 636' ' ' GLN . . . -103.45 138.7 19.61 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.574 0.702 . . . . 75.22 111.059 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 634' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -41.79 4.03 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.728 2.286 . . . . 73.41 112.287 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 635' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -76.17 -11.93 60.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 73.43 110.903 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 636' ' ' GLN . . . . . 0.596 ' CG ' ' HB3' ' A' ' 633' ' ' ALA . 18.4 mm-40 -78.88 -25.26 43.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 71.31 110.966 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 637' ' ' ARG . . . . . . . . . . . . . 52.6 ttt180 -84.66 113.7 21.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 61.3 110.882 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 638' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.29 -31.87 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 74.21 110.881 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 639' ' ' GLY . . . . . . . . . . . . . . . -59.56 -166.94 0.21 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.685 -0.769 . . . . 51.11 112.571 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 640' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -48.58 160.2 0.48 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.65 0.738 . . . . 74.14 110.871 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 121.95 8.63 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.643 2.229 . . . . 71.43 112.382 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 642' ' ' VAL . . . . . 0.841 HG21 HG21 ' A' ' 629' ' ' THR . 15.0 t -104.42 133.92 19.95 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.673 0.749 . . . . 71.14 111.138 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 643' ' ' PRO . . . . . 0.49 ' HG3' HG13 ' A' ' 582' ' ' VAL . 53.0 Cg_endo -69.85 128.4 15.89 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.643 2.229 . . . . 63.03 112.261 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 66.2 tt0 -65.27 -17.38 64.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 71.23 110.986 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -68.05 -47.55 68.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 70.53 110.814 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 646' ' ' LEU . . . . . 0.766 ' HB3' HG21 ' A' ' 589' ' ' VAL . 18.5 mt -74.69 -33.45 62.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 62.15 110.902 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 647' ' ' LEU . . . . . 0.703 HD13 ' HA ' ' A' ' 630' ' ' ALA . 94.5 mt -72.5 -52.13 17.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 64.53 110.927 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -61.25 -30.59 70.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 64.54 110.882 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 12.2 mtt-85 -72.42 -45.25 60.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 54.54 110.897 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 650' ' ' VAL . . . . . 0.593 HG13 HG22 ' A' ' 627' ' ' VAL . 0.3 OUTLIER -61.81 -32.5 54.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 71.32 111.094 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -71.31 -42.83 68.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 71.21 110.949 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -54.44 -47.78 72.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 71.44 111.148 179.777 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 653' ' ' ALA . . . . . 0.652 ' HB2' ' OE2' ' A' ' 593' ' ' GLU . . . -75.92 -42.57 48.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 50.34 111.048 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 654' ' ' HIS . . . . . . . . . . . . . 16.2 t-80 -54.52 -45.47 73.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.428 . . . . 64.24 110.852 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -77.36 -46.06 24.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.215 -0.448 . . . . 71.52 111.104 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -54.48 -49.98 68.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.13 -0.486 . . . . 75.3 110.932 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 657' ' ' TRP . . . . . . . . . . . . . 68.7 m95 -70.72 -33.02 70.41 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.112 -0.495 . . . . 74.45 110.923 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 27.3 t -64.28 -32.15 73.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 63.23 110.835 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 659' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -57.78 -24.45 57.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.102 -0.499 . . . . 63.42 110.878 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 6.5 tp60 61.89 56.71 2.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 53.14 110.935 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -51.79 -32.45 31.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 72.44 110.911 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 662' ' ' GLY . . . . . . . . . . . . . . . 161.41 90.53 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.667 -0.777 . . . . 73.43 112.452 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.52 -67.75 0.6 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.703 0.287 . . . . 53.52 110.897 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 9.1 tm0? -174.16 161.68 3.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 62.11 110.916 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 665' ' ' HIS . . . . . . . . . . . . . 22.9 m-70 -67.47 125.53 26.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 74.14 110.883 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 666' ' ' VAL . . . . . . . . . . . . . 43.3 t -144.14 147.09 19.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 70.41 111.132 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.59 157.58 49.38 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.625 0.726 . . . . 74.42 110.875 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 668' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 139.17 39.47 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.661 2.241 . . . . 63.2 112.364 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 669' ' ' LEU . . . . . . . . . . . . . 21.1 tp -153.37 128.63 9.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 65.13 110.956 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 670' ' ' LYS . . . . . 0.433 ' O ' HD13 ' A' ' 671' ' ' ILE . 23.0 tptt -112.17 154.13 25.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 75.4 110.884 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 671' ' ' ILE . . . . . 0.433 HD13 ' O ' ' A' ' 670' ' ' LYS . 48.4 mm -134.42 141.32 43.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 63.43 111.158 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -86.51 148.54 25.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 71.32 110.901 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 673' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -149.15 171.0 17.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 64.15 110.811 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -141.44 127.5 19.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 74.31 111.088 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 2.1 mmmp? -126.24 166.21 17.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 71.12 110.872 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . -150.94 147.64 27.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 73.31 111.051 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -173.76 150.26 1.68 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 75.22 110.942 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 678' ' ' LYS . . . . . . . . . . . . . 22.0 ttpp -71.28 144.53 49.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 65.13 110.95 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 679' ' ' VAL . . . . . . . . . . . . . 35.4 m -119.81 175.53 4.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 72.24 111.114 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 680' ' ' GLY . . . . . . . . . . . . . . . 79.25 82.92 0.67 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.7 -0.762 . . . . 75.33 112.456 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 681' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.344 0 CA-C-O 120.769 0.319 . . . . 64.43 111.088 179.982 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 561' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.232 0.194 0 CA-C-O 120.829 0.262 . . . . 53.34 112.299 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 562' ' ' VAL . . . . . . . . . . . . . 23.5 t -132.78 100.1 3.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.277 -0.419 . . . . 74.33 111.087 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 563' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -139.69 170.8 15.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 74.42 110.883 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 4.4 pp0? -125.57 -178.88 4.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 61.15 110.939 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 565' ' ' LYS . . . . . . . . . . . . . 76.3 mttt -140.4 140.16 35.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.461 . . . . 74.3 110.939 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 8.7 m -96.97 144.21 27.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.278 -0.419 . . . . 74.21 110.825 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 567' ' ' LYS . . . . . . . . . . . . . 47.6 mttt -130.65 177.69 7.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.098 -0.501 . . . . 71.23 110.89 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.76 -178.62 5.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 64.13 110.888 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 29.5 m -87.3 144.03 26.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 62.11 110.797 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -120.09 179.14 4.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.11 -0.495 . . . . 70.42 110.838 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -155.33 120.85 4.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 71.12 110.895 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 56.7 p -150.7 153.16 35.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 53.2 110.886 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 573' ' ' GLN . . . . . . . . . . . . . 83.6 mm-40 -127.8 73.49 1.46 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.156 -0.474 . . . . 73.52 110.946 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 574' ' ' ARG . . . . . 0.439 ' N ' HG21 ' A' ' 617' ' ' VAL . 15.6 mmm180 -121.65 69.42 0.92 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 73.23 110.857 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 575' ' ' ARG . . . . . 0.407 ' HA ' HG22 ' A' ' 617' ' ' VAL . 22.2 ptt180 -52.22 142.67 16.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 63.3 110.892 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 576' ' ' ILE . . . . . . . . . . . . . 31.6 mt -129.88 146.35 34.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 61.24 111.102 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 25.8 mmm180 -107.39 113.24 26.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 70.14 110.843 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 578' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.98 157.96 51.41 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.563 0.697 . . . . 73.02 110.93 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 86.61 0.57 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.667 2.245 . . . . 73.14 112.383 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 580' ' ' PHE . . . . . . . . . . . . . 11.5 p90 -92.75 136.61 33.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 73.54 110.886 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 1.2 m -103.93 169.83 8.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.081 -0.508 . . . . 55.52 110.897 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 582' ' ' VAL . . . . . 0.762 HG13 ' HG3' ' A' ' 643' ' ' PRO . 96.7 t -51.49 -41.22 26.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 73.33 111.184 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -70.49 -31.47 68.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 75.0 111.1 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 584' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -74.92 -55.65 5.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.256 -0.429 . . . . 63.12 110.878 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 585' ' ' VAL . . . . . . . . . . . . . 92.0 t -54.85 -34.12 29.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 65.52 111.102 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -51.21 -31.45 20.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 53.43 110.888 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 587' ' ' ALA . . . . . . . . . . . . . . . -69.1 -44.89 71.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.488 . . . . 61.42 111.117 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 588' ' ' LEU . . . . . 0.483 ' O ' HG23 ' A' ' 592' ' ' VAL . 0.1 OUTLIER -53.37 -51.22 63.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 72.22 110.927 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 589' ' ' VAL . . . . . 0.454 HG13 ' N ' ' A' ' 590' ' ' GLU . 7.4 p -71.37 -43.66 73.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 75.12 111.105 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 590' ' ' GLU . . . . . 0.454 ' N ' HG13 ' A' ' 589' ' ' VAL . 50.1 mt-10 -52.76 -47.82 67.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 73.42 110.919 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 591' ' ' ALA . . . . . 0.599 ' HB3' HG13 ' A' ' 603' ' ' VAL . . . -68.84 -33.71 74.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 65.5 111.124 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 592' ' ' VAL . . . . . 0.58 HG11 ' NE2' ' A' ' 654' ' ' HIS . 40.6 t -74.77 -26.06 19.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 72.04 111.146 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.5 -40.04 64.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 65.42 110.899 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 63.1 m170 -85.93 -46.89 10.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.441 . . . . 71.3 110.922 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 595' ' ' LEU . . . . . 0.573 HD22 ' HB3' ' A' ' 602' ' ' ASP . 9.6 mt -79.76 -24.02 41.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 74.33 110.937 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 596' ' ' GLY . . . . . 0.409 ' CA ' ' O ' ' A' ' 592' ' ' VAL . . . 89.55 -177.43 43.74 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.722 -0.751 . . . . 61.4 112.529 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -92.82 21.0 5.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.854 0.359 . . . . 73.22 111.205 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 598' ' ' GLY . . . . . . . . . . . . . . . -125.87 11.87 7.35 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.761 -0.733 . . . . 32.21 112.52 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 599' ' ' ARG . . . . . 0.727 ' O ' HG23 ' A' ' 603' ' ' VAL . 46.9 mtt-85 -135.21 70.41 1.44 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.827 0.346 . . . . 75.22 110.926 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 600' ' ' TRP . . . . . . . . . . . . . 5.2 m0 -63.14 -49.32 74.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 75.41 110.92 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 601' ' ' ARG . . . . . . . . . . . . . 34.7 mtt-85 -52.78 -40.03 62.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 73.14 110.908 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 602' ' ' ASP . . . . . 0.573 ' HB3' HD22 ' A' ' 595' ' ' LEU . 2.0 m-20 -72.12 -31.55 66.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 75.45 110.884 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 603' ' ' VAL . . . . . 0.727 HG23 ' O ' ' A' ' 599' ' ' ARG . 75.0 t -64.34 -38.66 83.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 75.32 111.106 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 37.9 tttp -72.09 -42.69 65.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 73.32 110.915 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 605' ' ' MET . . . . . 0.45 ' HA ' ' HB3' ' A' ' 611' ' ' ALA . 23.4 mtp -70.97 -31.58 68.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 74.21 110.843 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 606' ' ' ARG . . . . . . . . . . . . . 13.1 ttm-85 -81.54 -40.34 23.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 61.22 110.897 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -84.56 -70.26 0.59 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 43.44 111.042 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 608' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -71.12 125.43 26.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.277 -0.419 . . . . 74.42 110.836 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -69.49 -34.16 73.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.107 -0.497 . . . . 63.15 110.881 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -91.48 68.06 5.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 63.13 110.873 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 611' ' ' ALA . . . . . 0.45 ' HB3' ' HA ' ' A' ' 605' ' ' MET . . . -134.85 97.43 3.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 71.14 111.085 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -123.85 -50.84 1.82 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 75.22 110.884 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 613' ' ' HIS . . . . . . . . . . . . . 10.8 t60 -135.78 25.99 3.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 74.45 110.847 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 614' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -94.09 155.94 16.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 73.51 110.843 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 615' ' ' THR . . . . . 0.796 HG23 HG12 ' A' ' 617' ' ' VAL . 4.7 t -74.93 161.64 29.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.167 -0.47 . . . . 64.3 111.166 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 616' ' ' TYR . . . . . 0.444 ' HB2' HD21 ' A' ' 619' ' ' LEU . 21.0 p90 -98.65 23.75 8.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 74.43 110.996 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 617' ' ' VAL . . . . . 0.796 HG12 HG23 ' A' ' 615' ' ' THR . 14.5 p -71.67 -33.63 49.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.107 -0.497 . . . . 72.33 111.102 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 618' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.02 -51.08 69.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 75.31 110.845 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 619' ' ' LEU . . . . . 0.444 HD21 ' HB2' ' A' ' 616' ' ' TYR . 1.3 pp -68.88 -23.29 64.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.174 -0.466 . . . . 62.54 110.895 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 620' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.11 -39.52 82.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.452 . . . . 72.51 110.935 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -71.55 -49.75 37.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 74.3 110.911 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 1.4 tppp? -58.93 -27.78 65.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 71.44 110.936 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 623' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -74.32 -54.45 7.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 61.32 110.928 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.09 -40.67 46.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.258 -0.428 . . . . 74.02 110.877 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 9.4 t -75.71 -37.66 59.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 73.23 111.119 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 626' ' ' LEU . . . . . . . . . . . . . 1.6 mt -56.53 -55.97 27.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.43 . . . . 61.4 110.916 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 627' ' ' VAL . . . . . 0.692 ' O ' HD13 ' A' ' 632' ' ' ILE . 14.2 t -60.81 -55.69 22.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 73.22 111.114 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 628' ' ' HIS . . . . . 0.457 ' HA ' ' HB ' ' A' ' 632' ' ' ILE . 1.2 m80 -54.07 -28.69 40.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 73.31 110.831 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 629' ' ' THR . . . . . 0.493 HG21 HG21 ' A' ' 642' ' ' VAL . 21.5 m -79.8 -29.27 40.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 72.23 111.14 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 630' ' ' ALA . . . . . 0.638 ' HA ' HD13 ' A' ' 647' ' ' LEU . . . -52.85 -49.82 64.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 62.41 111.074 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 631' ' ' SER . . . . . 0.7 ' C ' HD12 ' A' ' 632' ' ' ILE . 0.4 OUTLIER 168.26 66.85 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 63.33 110.779 -179.809 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 632' ' ' ILE . . . . . 0.7 HD12 ' C ' ' A' ' 631' ' ' SER . 2.4 mp -128.84 -74.51 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.096 -0.502 . . . . 60.52 111.169 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 633' ' ' ALA . . . . . 0.704 ' HB3' ' HB2' ' A' ' 636' ' ' GLN . . . -102.91 145.11 29.97 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.617 0.722 . . . . 64.32 111.05 179.823 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 634' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.71 -48.31 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.683 2.255 . . . . 61.23 112.367 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 635' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -73.92 -14.16 61.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 74.35 110.864 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 636' ' ' GLN . . . . . 0.704 ' HB2' ' HB3' ' A' ' 633' ' ' ALA . 11.2 mm100 -81.27 -0.17 39.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 71.41 110.875 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 637' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.93 114.41 13.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 64.33 110.925 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 638' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -54.58 136.04 45.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 61.14 110.814 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 639' ' ' GLY . . . . . . . . . . . . . . . -51.94 -62.08 5.94 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.702 -0.761 . . . . 51.54 112.537 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 640' ' ' GLU . . . . . . . . . . . . . 11.0 mp0 -57.43 160.76 6.66 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.641 0.734 . . . . 63.54 110.873 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.63 121.31 8.03 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.758 2.305 . . . . 72.14 112.375 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 642' ' ' VAL . . . . . 0.493 HG21 HG21 ' A' ' 629' ' ' THR . 4.8 t -101.83 132.55 21.52 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.64 0.733 . . . . 53.2 111.137 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 643' ' ' PRO . . . . . 0.762 ' HG3' HG13 ' A' ' 582' ' ' VAL . 53.5 Cg_endo -69.78 128.51 16.11 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.652 2.235 . . . . 74.05 112.324 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -64.54 -23.04 67.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 73.12 110.933 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -59.29 -45.88 90.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 74.54 110.907 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 646' ' ' LEU . . . . . . . . . . . . . 28.5 mt -73.26 -53.09 11.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 61.54 110.881 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 647' ' ' LEU . . . . . 0.638 HD13 ' HA ' ' A' ' 630' ' ' ALA . 42.3 mt -53.22 -52.23 59.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.141 -0.481 . . . . 72.21 110.893 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 38.7 t0 -56.45 -40.86 75.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 64.23 110.944 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -67.37 -36.12 80.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.107 -0.497 . . . . 74.21 110.913 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 650' ' ' VAL . . . . . 0.689 HG13 ' CE1' ' A' ' 654' ' ' HIS . 25.1 t -64.89 -55.03 22.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 73.11 111.147 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 651' ' ' LEU . . . . . 0.45 ' CD1' ' HB1' ' A' ' 630' ' ' ALA . 30.8 mt -62.79 -24.3 67.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 75.34 110.944 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -68.75 -52.66 28.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 72.23 111.017 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -76.22 -50.4 14.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 34.22 111.092 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 654' ' ' HIS . . . . . 0.689 ' CE1' HG13 ' A' ' 650' ' ' VAL . 11.8 m170 -52.64 -31.32 36.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.435 . . . . 72.21 110.879 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -76.01 -46.86 27.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 73.11 111.056 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 93.8 t80 -64.86 -38.13 89.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 74.51 110.932 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 657' ' ' TRP . . . . . . . . . . . . . 19.5 m95 -70.11 -39.29 75.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.128 -0.487 . . . . 71.34 110.938 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 2.0 t -57.02 -50.62 72.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.2 -0.454 . . . . 73.2 110.885 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 659' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -64.57 -23.13 67.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.15 -0.477 . . . . 73.44 110.946 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -126.78 53.35 1.69 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.144 -0.48 . . . . 74.51 110.877 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 61.0 tp60 -106.9 -74.91 0.64 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.268 -0.424 . . . . 74.22 110.985 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 662' ' ' GLY . . . . . . . . . . . . . . . 158.08 -27.25 0.44 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.764 -0.731 . . . . 73.42 112.498 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 15.0 pttt -53.64 172.24 0.07 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.731 0.3 . . . . 64.11 110.859 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -65.25 105.65 1.16 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.259 -0.428 . . . . 65.1 110.876 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 665' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -176.38 173.51 2.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.482 . . . . 72.51 110.912 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 666' ' ' VAL . . . . . . . . . . . . . 91.1 t -72.01 91.84 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 64.23 111.112 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -136.04 157.51 75.67 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.591 0.71 . . . . 63.21 110.928 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 668' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.67 -171.01 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.687 2.258 . . . . 74.0 112.384 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 669' ' ' LEU . . . . . 0.551 ' H ' HD23 ' A' ' 669' ' ' LEU . 1.2 pt? -110.12 153.48 24.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 74.31 110.939 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 670' ' ' LYS . . . . . . . . . . . . . 58.2 tttt -101.24 132.45 46.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.273 -0.422 . . . . 72.13 110.878 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 671' ' ' ILE . . . . . 0.622 ' C ' HD13 ' A' ' 672' ' ' LEU . 32.3 mm -98.51 145.56 9.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 72.45 111.099 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 672' ' ' LEU . . . . . 0.622 HD13 ' C ' ' A' ' 671' ' ' ILE . 0.0 OUTLIER -156.41 177.23 11.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.117 -0.492 . . . . 73.35 110.982 179.932 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 673' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -147.0 145.6 29.78 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.206 -0.452 . . . . 71.23 110.856 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -115.11 173.16 6.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 71.42 111.077 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -119.22 77.84 1.24 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.448 . . . . 62.12 110.929 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . -98.52 132.68 43.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 74.43 110.998 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.36 178.13 7.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 74.35 110.925 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 678' ' ' LYS . . . . . . . . . . . . . 1.5 tmtm? -113.81 132.26 55.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 72.3 110.869 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 679' ' ' VAL . . . . . . . . . . . . . 44.1 t -61.5 100.83 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 73.14 111.107 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 680' ' ' GLY . . . . . . . . . . . . . . . -111.81 140.41 16.14 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.744 -0.741 . . . . 72.21 112.428 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 681' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-O 120.777 0.322 . . . . 62.02 111.065 179.991 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 561' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 N--CA 1.465 -0.153 0 CA-C-O 120.838 0.266 . . . . 72.43 112.355 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 562' ' ' VAL . . . . . . . . . . . . . 64.2 t -105.56 83.48 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 64.43 111.145 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 563' ' ' ASN . . . . . . . . . . . . . 15.6 p-10 -85.36 151.54 23.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 73.31 110.873 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -157.21 107.55 2.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 53.34 110.904 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 565' ' ' LYS . . . . . . . . . . . . . 43.2 pttt -136.92 111.39 8.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 62.22 110.916 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 1.3 p -124.1 129.01 50.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 60.2 110.86 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 567' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.03 110.38 16.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 70.23 110.911 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 2.8 mpp_? -114.22 26.95 9.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 74.3 110.857 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 75.8 m -102.73 111.64 24.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 72.24 110.89 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 570' ' ' GLU . . . . . 0.611 ' C ' HD13 ' A' ' 571' ' ' LEU . 2.2 pp20? -171.42 147.88 2.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.08 -0.509 . . . . 70.43 110.911 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 571' ' ' LEU . . . . . 0.611 HD13 ' C ' ' A' ' 570' ' ' GLU . 0.0 OUTLIER -156.42 168.24 27.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 72.5 110.942 -179.893 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 20.2 t -170.61 109.21 0.34 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 72.12 110.851 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 573' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -160.51 106.8 1.51 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 73.33 110.912 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 574' ' ' ARG . . . . . 0.442 ' HB3' HG23 ' A' ' 576' ' ' ILE . 4.1 tpt180 -175.87 159.69 2.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 75.52 110.872 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 20.4 ptt180 -86.21 54.88 3.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 73.14 110.873 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 576' ' ' ILE . . . . . 0.442 HG23 ' HB3' ' A' ' 574' ' ' ARG . 44.4 pt -77.83 170.26 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 62.12 111.14 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 5.0 ptm180 -127.23 50.78 1.96 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 74.15 110.834 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 578' ' ' ARG . . . . . . . . . . . . . 29.9 mtt-85 -113.97 160.1 33.58 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.661 0.743 . . . . 62.25 110.849 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -170.37 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.735 2.29 . . . . 75.44 112.327 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 580' ' ' PHE . . . . . . . . . . . . . 7.7 p90 -63.79 144.13 57.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 72.34 110.892 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 6.5 m -106.67 -177.88 3.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 75.13 110.898 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 582' ' ' VAL . . . . . 0.699 HG13 ' HG3' ' A' ' 643' ' ' PRO . 99.0 t -51.22 -38.52 19.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 75.23 111.103 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -69.55 -36.96 76.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.489 . . . . 64.33 111.096 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 584' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -71.42 -51.18 25.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.263 -0.426 . . . . 52.23 110.903 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 585' ' ' VAL . . . . . . . . . . . . . 70.3 t -53.96 -34.17 25.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 71.41 111.095 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -52.01 -38.05 55.47 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.165 -0.47 . . . . 73.3 110.852 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 587' ' ' ALA . . . . . 0.775 ' HB2' HD12 ' A' ' 671' ' ' ILE . . . -62.67 -32.4 73.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 72.41 111.151 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 588' ' ' LEU . . . . . 0.431 HD21 ' HB2' ' A' ' 619' ' ' LEU . 1.3 tm? -71.52 -55.53 7.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 75.14 110.853 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 589' ' ' VAL . . . . . 0.477 HG13 ' N ' ' A' ' 590' ' ' GLU . 5.7 p -63.31 -46.36 95.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 73.24 111.136 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 590' ' ' GLU . . . . . 0.477 ' N ' HG13 ' A' ' 589' ' ' VAL . 61.9 mt-10 -52.59 -48.14 66.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 64.51 110.882 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 591' ' ' ALA . . . . . 0.582 ' HB3' HG13 ' A' ' 603' ' ' VAL . . . -67.42 -35.29 78.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 61.05 111.066 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 592' ' ' VAL . . . . . 0.407 ' O ' ' CA ' ' A' ' 596' ' ' GLY . 12.3 t -70.3 -27.42 31.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 73.14 111.122 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 593' ' ' GLU . . . . . 0.478 ' HG2' ' HB2' ' A' ' 653' ' ' ALA . 1.6 mt-10 -75.02 -36.09 61.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 71.15 110.906 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -86.09 -48.7 8.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 65.03 110.875 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 595' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -80.39 -24.52 39.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 75.34 110.961 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 596' ' ' GLY . . . . . 0.407 ' CA ' ' O ' ' A' ' 592' ' ' VAL . . . 88.71 -162.27 31.46 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.722 -0.751 . . . . 44.14 112.48 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 13.8 p -107.23 26.71 9.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.85 0.357 . . . . 43.33 111.164 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 598' ' ' GLY . . . . . . . . . . . . . . . -131.04 0.05 5.23 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.841 -0.695 . . . . 42.32 112.542 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 599' ' ' ARG . . . . . 0.62 ' O ' HG23 ' A' ' 603' ' ' VAL . 54.2 mtm-85 -125.43 80.31 1.88 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.859 0.361 . . . . 73.01 110.863 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 600' ' ' TRP . . . . . 0.491 ' O ' HD21 ' A' ' 619' ' ' LEU . 9.4 m0 -67.89 -50.35 56.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 74.12 111.002 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 601' ' ' ARG . . . . . . . . . . . . . 30.3 mmm-85 -53.1 -48.43 67.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 75.52 110.871 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 602' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -61.53 -38.7 88.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 72.42 110.904 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 603' ' ' VAL . . . . . 0.698 HG11 HD13 ' A' ' 619' ' ' LEU . 45.8 t -66.58 -31.53 53.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 72.11 111.134 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 32.0 tptt -64.75 -47.05 79.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 62.45 110.839 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 605' ' ' MET . . . . . . . . . . . . . 9.8 ptm -72.82 -31.52 64.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 74.43 110.867 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 606' ' ' ARG . . . . . . . . . . . . . 7.3 tpm_? -73.78 -40.9 63.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 64.31 110.886 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -90.01 -70.34 0.67 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 75.41 111.173 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 608' ' ' PHE . . . . . . . . . . . . . 43.5 m-85 -71.2 125.51 27.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 73.1 110.792 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -70.12 -33.05 71.35 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.182 -0.463 . . . . 61.11 110.882 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -100.94 63.21 1.01 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 60.11 110.927 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 611' ' ' ALA . . . . . . . . . . . . . . . -103.49 54.66 0.75 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 61.35 111.033 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -86.42 -72.12 0.52 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.196 -0.456 . . . . 73.33 110.862 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 613' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -115.21 25.85 10.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 70.44 110.916 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 614' ' ' ARG . . . . . . . . . . . . . 10.4 mmt180 -87.69 156.39 19.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 71.33 110.934 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 615' ' ' THR . . . . . 0.533 ' OG1' HG12 ' A' ' 617' ' ' VAL . 15.1 t -74.33 163.66 27.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 53.13 111.165 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 616' ' ' TYR . . . . . . . . . . . . . 17.4 p90 -107.29 -28.76 9.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.331 -0.395 . . . . 71.53 110.916 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 617' ' ' VAL . . . . . 0.533 HG12 ' OG1' ' A' ' 615' ' ' THR . 10.7 p -51.37 -33.3 14.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.094 -0.503 . . . . 72.24 111.173 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 618' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.2 -50.56 69.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.486 . . . . 72.35 110.837 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 619' ' ' LEU . . . . . 0.698 HD13 HG11 ' A' ' 603' ' ' VAL . 0.8 OUTLIER -69.26 -25.92 64.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 72.34 110.922 -179.926 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 620' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.73 -43.39 72.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 73.52 110.836 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -71.71 -30.01 65.17 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.313 -0.403 . . . . 74.53 110.899 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.88 -45.27 86.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 72.34 110.836 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 623' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -67.11 -46.91 72.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.277 -0.419 . . . . 72.43 110.949 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 21.0 tttt -50.8 -49.93 57.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 73.22 110.872 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 13.8 t -71.29 -28.63 64.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 61.42 111.122 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 626' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.85 -55.8 28.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 75.22 110.932 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 627' ' ' VAL . . . . . 0.736 HG23 HD12 ' A' ' 651' ' ' LEU . 4.8 p -61.63 -42.04 92.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 63.14 111.079 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 628' ' ' HIS . . . . . 0.418 ' HA ' ' HB ' ' A' ' 632' ' ' ILE . 5.1 m-70 -62.15 -26.77 68.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 71.02 110.891 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 629' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -79.44 -28.85 41.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 35.32 111.144 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 630' ' ' ALA . . . . . 0.779 ' HA ' HD13 ' A' ' 647' ' ' LEU . . . -52.67 -48.72 66.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 73.11 111.133 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 631' ' ' SER . . . . . 0.736 ' C ' HD12 ' A' ' 632' ' ' ILE . 14.6 t 176.29 66.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 74.11 110.861 -179.823 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 632' ' ' ILE . . . . . 0.736 HD12 ' C ' ' A' ' 631' ' ' SER . 2.7 mp -135.04 -72.68 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.083 -0.508 . . . . 73.23 111.103 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 633' ' ' ALA . . . . . 0.571 ' HB3' ' CG ' ' A' ' 636' ' ' GLN . . . -103.01 139.13 19.83 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.528 0.68 . . . . 71.24 111.105 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 634' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.63 -41.38 4.49 Favored 'Trans proline' 0 N--CA 1.465 -0.184 0 C-N-CA 122.69 2.26 . . . . 71.11 112.445 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 635' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -73.89 -13.12 60.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 54.43 110.901 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 636' ' ' GLN . . . . . 0.571 ' CG ' ' HB3' ' A' ' 633' ' ' ALA . 11.7 mm100 -80.28 -34.0 37.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 71.3 110.879 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 637' ' ' ARG . . . . . . . . . . . . . 16.1 ttp85 -84.57 112.7 20.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.425 . . . . 75.33 110.923 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 638' ' ' ARG . . . . . . . . . . . . . 11.7 tpt180 178.74 147.32 0.18 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 72.51 110.911 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 639' ' ' GLY . . . . . . . . . . . . . . . 99.99 85.0 1.83 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.708 -0.758 . . . . 73.12 112.518 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 640' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 62.11 161.21 0.12 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.729 0.776 . . . . 73.23 110.845 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 129.33 17.4 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.709 2.273 . . . . 63.51 112.371 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 642' ' ' VAL . . . . . 0.466 ' CG1' HD11 ' A' ' 647' ' ' LEU . 3.1 t -90.28 132.58 35.32 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.619 0.723 . . . . 51.31 111.124 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 643' ' ' PRO . . . . . 0.699 ' HG3' HG13 ' A' ' 582' ' ' VAL . 53.5 Cg_endo -69.87 128.86 16.53 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.67 2.247 . . . . 72.44 112.296 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 20.5 tt0 -68.82 -24.46 64.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 50.34 110.903 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -62.64 -47.7 82.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 75.51 110.873 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 646' ' ' LEU . . . . . 0.72 ' O ' HG23 ' A' ' 650' ' ' VAL . 12.1 mt -71.0 -51.6 24.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 71.51 110.976 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 647' ' ' LEU . . . . . 0.779 HD13 ' HA ' ' A' ' 630' ' ' ALA . 96.5 mt -55.37 -37.1 67.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 75.43 110.942 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -61.93 -49.46 76.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 72.53 110.845 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 11.6 mmp_? -68.64 -31.76 71.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 60.44 110.866 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 650' ' ' VAL . . . . . 0.72 HG23 ' O ' ' A' ' 646' ' ' LEU . 77.5 t -61.48 -48.83 87.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 74.14 111.15 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 651' ' ' LEU . . . . . 0.736 HD12 HG23 ' A' ' 627' ' ' VAL . 7.9 mp -71.02 -26.58 63.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.104 -0.498 . . . . 45.52 110.846 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -68.72 -45.9 70.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 74.1 111.086 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 653' ' ' ALA . . . . . 0.478 ' HB2' ' HG2' ' A' ' 593' ' ' GLU . . . -75.83 -45.98 32.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 63.4 111.068 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 654' ' ' HIS . . . . . . . . . . . . . 26.3 t-80 -53.82 -43.61 69.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.446 . . . . 53.33 110.841 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -77.43 -46.94 21.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 74.25 111.077 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 81.3 t80 -54.22 -49.73 68.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 72.55 110.984 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 657' ' ' TRP . . . . . . . . . . . . . 76.6 m95 -70.25 -32.36 70.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 73.13 110.976 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 30.5 t -69.34 -35.2 75.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 73.02 110.908 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 659' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -85.19 -46.62 10.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 72.34 110.946 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -141.89 77.35 1.58 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 63.11 110.929 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -54.28 101.37 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.447 . . . . 72.01 110.911 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 662' ' ' GLY . . . . . . . . . . . . . . . -146.89 143.19 11.1 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.735 -0.745 . . . . 73.11 112.479 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 31.3 mtmt -51.86 139.61 21.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.695 0.284 . . . . 74.53 110.933 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 46.5 tp60 -130.08 165.08 22.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 74.32 110.925 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 665' ' ' HIS . . . . . . . . . . . . . 78.0 m-70 -119.47 132.92 55.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 74.31 110.847 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 666' ' ' VAL . . . . . . . . . . . . . 19.3 m -148.73 -173.91 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 70.3 111.104 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -104.06 136.31 19.21 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.713 0.768 . . . . 74.01 110.852 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 668' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -171.09 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.664 2.243 . . . . 73.3 112.35 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 669' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -173.47 113.88 0.22 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 53.44 110.871 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 670' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.34 170.03 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 25.44 110.912 179.799 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 671' ' ' ILE . . . . . 0.775 HD12 ' HB2' ' A' ' 587' ' ' ALA . 15.9 tt -155.69 145.27 12.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 72.43 111.067 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 14.7 tp -125.37 162.55 24.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.472 . . . . 74.0 110.959 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 673' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -129.01 126.8 40.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 63.0 110.901 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -118.01 -29.46 5.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 71.3 111.112 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 43.2 tttp -54.45 118.51 4.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.472 . . . . 75.42 110.921 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . -100.37 -63.97 1.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 63.45 111.096 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 2.2 pp0? -124.8 170.26 11.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 75.32 110.914 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 678' ' ' LYS . . . . . . . . . . . . . 24.5 tttp -111.2 172.29 6.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 63.11 110.935 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 679' ' ' VAL . . . . . . . . . . . . . 12.2 p -100.18 -31.18 3.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 71.25 111.166 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 680' ' ' GLY . . . . . . . . . . . . . . . 66.17 49.66 56.29 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.712 -0.756 . . . . 64.34 112.495 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 681' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-O 120.792 0.33 . . . . 73.22 111.09 179.992 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 581' ' ' SER . . . . . 0.782 ' O ' HG12 ' A' ' 585' ' ' VAL . 1.4 m . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.855 0.36 . . . . 70.409999999999997 110.894 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 582' ' ' VAL . . . . . . . . . . . . . 15.2 m -51.49 -38.72 21.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 72.519999999999996 111.13 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -69.58 -38.23 77.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 75.129999999999995 111.127 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 584' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -71.31 -55.25 8.41 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.157 -0.474 . . . . 70.010000000000005 110.9 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 585' ' ' VAL . . . . . 0.782 HG12 ' O ' ' A' ' 581' ' ' SER . 2.9 p -60.23 -33.31 53.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.15 -0.477 . . . . 73.540000000000006 111.076 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -50.91 -30.46 14.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 61.119999999999997 110.845 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 587' ' ' ALA . . . . . . . . . . . . . . . -78.85 -37.46 40.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 44.240000000000002 111.075 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 588' ' ' LEU . . . . . 0.457 ' O ' HG23 ' A' ' 592' ' ' VAL . 0.2 OUTLIER -56.54 -49.6 74.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 73.430000000000007 110.882 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 589' ' ' VAL . . . . . 0.512 HG22 HG22 ' A' ' 650' ' ' VAL . 25.4 t -69.37 -55.03 16.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 75.120000000000005 111.12 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 75.1 mt-10 -50.74 -43.0 57.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.223 -0.444 . . . . 74.349999999999994 110.896 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 591' ' ' ALA . . . . . 0.651 ' HB3' HG13 ' A' ' 603' ' ' VAL . . . -68.33 -40.11 81.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.47 . . . . 31.129999999999999 111.124 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 592' ' ' VAL . . . . . 0.465 HG11 ' CZ3' ' A' ' 623' ' ' TRP . 24.3 t -69.57 -26.78 31.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.259 -0.428 . . . . 73.340000000000003 111.127 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -73.91 -36.2 64.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 62.32 110.814 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 68.2 m80 -86.28 -47.61 9.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.188 -0.46 . . . . 72.209999999999994 110.855 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 595' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -80.07 -24.12 40.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.426 . . . . 75.450000000000003 110.908 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 596' ' ' GLY . . . . . . . . . . . . . . . 82.41 -175.31 53.57 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.717 -0.754 . . . . 72.549999999999997 112.461 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 7.2 p -93.57 24.91 3.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.815 0.34 . . . . 75.209999999999994 111.18 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 598' ' ' GLY . . . . . . . . . . . . . . . -122.91 -11.58 5.28 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.675 -0.774 . . . . 52.439999999999998 112.48 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 599' ' ' ARG . . . . . 0.513 ' O ' HG23 ' A' ' 603' ' ' VAL . 39.4 mtt-85 -125.61 76.87 1.61 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.783 0.325 . . . . 64.310000000000002 110.892 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 600' ' ' TRP . . . . . . . . . . . . . 4.6 m0 -69.42 -42.8 74.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 72.409999999999997 110.889 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 601' ' ' ARG . . . . . . . . . . . . . 9.9 ptm180 -52.89 -44.04 66.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.284 -0.416 . . . . 70.140000000000001 110.898 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 602' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -67.57 -38.38 83.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 62.409999999999997 110.87 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 603' ' ' VAL . . . . . 0.651 HG13 ' HB3' ' A' ' 591' ' ' ALA . 55.8 t -58.98 -38.88 76.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 71.129999999999995 111.197 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 28.7 tptt -72.06 -36.51 69.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 73.200000000000003 110.864 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 605' ' ' MET . . . . . . . . . . . . . 23.6 mtt -72.82 -34.86 67.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.274 -0.421 . . . . 61.119999999999997 110.925 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 606' ' ' ARG . . . . . . . . . . . . . 39.0 ttm-85 -81.09 -40.16 24.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.268 -0.423 . . . . 73.099999999999994 110.97 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -79.5 -67.13 0.79 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 71.540000000000006 111.074 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 608' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.191 -0.459 . . . . 61.399999999999999 110.88 -179.889 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 616' ' ' TYR . . . . . . . . . . . . . 22.5 p90 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.903 0.382 . . . . 73.420000000000002 110.881 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 617' ' ' VAL . . . . . . . . . . . . . 11.1 p -70.18 -33.68 55.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 71.219999999999999 111.145 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 618' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.98 -50.59 60.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 75.349999999999994 110.903 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 619' ' ' LEU . . . . . 0.599 HD13 HG11 ' A' ' 603' ' ' VAL . 1.1 pp -69.95 -25.77 63.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 74.019999999999996 110.95 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 620' ' ' LYS . . . . . . . . . . . . . 37.9 tptt -70.24 -37.0 74.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 74.0 110.934 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -71.71 -44.3 64.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 63.109999999999999 110.83 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.14 -39.6 82.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 75.099999999999994 110.941 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 623' ' ' TRP . . . . . 0.465 ' CZ3' HG11 ' A' ' 592' ' ' VAL . 15.3 t-105 -69.86 -46.27 65.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 75.030000000000001 110.93 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.65 -48.5 49.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.265 -0.425 . . . . 71.140000000000001 110.901 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 11.2 t -72.58 -28.2 62.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.25 -0.432 . . . . 74.329999999999998 111.19 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 626' ' ' LEU . . . . . 0.679 HD22 HG21 ' A' ' 650' ' ' VAL . 0.4 OUTLIER -63.86 -55.58 21.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 65.25 110.887 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 627' ' ' VAL . . . . . 0.649 ' O ' HD13 ' A' ' 632' ' ' ILE . 4.7 p -59.28 -44.97 93.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 74.209999999999994 111.165 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 628' ' ' HIS . . . . . 0.492 ' CD2' HG21 ' A' ' 632' ' ' ILE . 10.5 m170 -60.5 -27.36 67.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 73.430000000000007 110.799 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 629' ' ' THR . . . . . . . . . . . . . 10.7 m -76.06 -29.43 58.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 71.150000000000006 111.107 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 630' ' ' ALA . . . . . 0.653 ' HA ' HD13 ' A' ' 647' ' ' LEU . . . -53.13 -49.29 66.85 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.253 -0.43 . . . . 74.230000000000004 111.143 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 631' ' ' SER . . . . . 0.727 ' C ' HD12 ' A' ' 632' ' ' ILE . 0.4 OUTLIER 170.28 68.79 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 70.420000000000002 110.831 -179.841 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 632' ' ' ILE . . . . . 0.727 HD12 ' C ' ' A' ' 631' ' ' SER . 2.5 mp -130.57 -75.84 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 73.439999999999998 111.116 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 633' ' ' ALA . . . . . 0.473 ' N ' HG22 ' A' ' 632' ' ' ILE . . . . . . . . 0 C--N 1.33 -0.266 0 CA-C-O 121.561 0.696 . . . . 63.039999999999999 111.152 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.172 0 CA-C-O 120.795 0.248 . . . . 73.439999999999998 112.374 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 642' ' ' VAL . . . . . 0.718 HG21 HD11 ' A' ' 647' ' ' LEU . 13.6 m -121.01 140.11 30.38 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.618 0.723 . . . . 71.319999999999993 111.081 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 128.88 16.7 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.617 2.211 . . . . 50.409999999999997 112.389 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -63.19 -16.83 61.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 74.430000000000007 110.897 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -70.23 -39.19 75.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.247 -0.433 . . . . 61.240000000000002 110.865 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 646' ' ' LEU . . . . . 0.66 ' O ' HG23 ' A' ' 650' ' ' VAL . 53.4 mt -75.19 -52.17 11.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 72.439999999999998 110.892 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 647' ' ' LEU . . . . . 0.718 HD11 HG21 ' A' ' 642' ' ' VAL . 47.3 mt -51.54 -34.54 36.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 72.099999999999994 110.969 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.96 -46.71 56.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 62.340000000000003 110.83 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 36.7 mmt-85 -65.27 -35.66 81.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 74.5 110.884 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 650' ' ' VAL . . . . . 0.679 HG21 HD22 ' A' ' 626' ' ' LEU . 97.0 t -64.07 -51.88 63.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 72.209999999999994 111.116 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 651' ' ' LEU . . . . . 0.7 HD21 HD11 ' A' ' 632' ' ' ILE . 12.7 mt -61.69 -26.54 68.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 72.310000000000002 110.887 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -66.17 -49.32 67.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 54.539999999999999 111.153 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -74.12 -43.81 56.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 73.530000000000001 111.152 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 654' ' ' HIS . . . . . 0.531 ' CG ' HG21 ' A' ' 627' ' ' VAL . 26.8 t-80 -57.52 -42.91 83.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 64.230000000000004 110.84 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -76.94 -46.82 22.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 64.349999999999994 111.101 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -56.48 -49.61 74.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.275 -0.42 . . . . 74.219999999999999 110.963 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 657' ' ' TRP . . . . . . . . . . . . . 72.1 m95 -70.58 -30.34 67.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.115 -0.493 . . . . 75.540000000000006 110.968 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 9.0 t -59.61 -36.41 76.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.224 -0.444 . . . . 74.310000000000002 110.86 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 659' ' ' GLN . . . . . . . . . . . . . 42.7 tt0 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 72.140000000000001 110.977 -179.969 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 9.3 m . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.979 0.419 . . . . 71.219999999999999 110.839 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 582' ' ' VAL . . . . . . . . . . . . . 92.2 t -54.46 -38.14 40.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 75.200000000000003 111.167 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -69.31 -47.57 64.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 52.439999999999998 111.102 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 584' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -63.2 -54.8 31.83 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.242 -0.436 . . . . 72.219999999999999 110.893 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 585' ' ' VAL . . . . . 0.604 ' O ' HG12 ' A' ' 589' ' ' VAL . 59.7 t -57.53 -34.31 46.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 75.0 111.084 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 586' ' ' GLU . . . . . 0.45 ' HG2' HD21 ' A' ' 646' ' ' LEU . 7.2 mt-10 -59.96 -42.39 93.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 74.219999999999999 110.878 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 587' ' ' ALA . . . . . . . . . . . . . . . -69.05 -33.93 74.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 54.229999999999997 111.169 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 588' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.42 -55.13 12.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 53.140000000000001 110.948 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 589' ' ' VAL . . . . . 0.973 HG11 HD22 ' A' ' 646' ' ' LEU . 4.7 p -62.33 -47.63 92.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 75.109999999999999 111.124 179.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 590' ' ' GLU . . . . . 0.49 ' N ' HG13 ' A' ' 589' ' ' VAL . 95.6 mt-10 -59.18 -29.07 67.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 72.329999999999998 110.831 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 591' ' ' ALA . . . . . 0.62 ' HB3' HG13 ' A' ' 603' ' ' VAL . . . -74.44 -43.53 55.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 63.240000000000002 111.03 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 592' ' ' VAL . . . . . 0.444 HG23 ' HA ' ' A' ' 597' ' ' THR . 7.3 p -76.28 -25.92 16.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.279 -0.419 . . . . 72.530000000000001 111.181 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 593' ' ' GLU . . . . . 0.526 ' OE1' ' HB2' ' A' ' 653' ' ' ALA . 0.2 OUTLIER -73.02 -41.64 64.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.131 -0.486 . . . . 73.109999999999999 110.875 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 14.4 t60 -84.36 -46.86 11.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 72.340000000000003 110.869 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 595' ' ' LEU . . . . . 0.583 HD11 ' CB ' ' A' ' 606' ' ' ARG . 12.5 mt -79.74 -17.57 53.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 71.349999999999994 110.869 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 596' ' ' GLY . . . . . . . . . . . . . . . 85.12 164.61 38.93 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.797 -0.716 . . . . 74.329999999999998 112.49 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 597' ' ' THR . . . . . 0.444 ' HA ' HG23 ' A' ' 592' ' ' VAL . 0.7 OUTLIER -74.47 -5.73 44.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.839 0.352 . . . . 62.299999999999997 111.119 -179.88 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 598' ' ' GLY . . . . . . . . . . . . . . . -101.34 20.1 48.39 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.782 -0.723 . . . . 71.209999999999994 112.476 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 599' ' ' ARG . . . . . 0.736 ' O ' HG23 ' A' ' 603' ' ' VAL . 8.0 mtp180 -139.75 64.05 1.47 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.824 0.345 . . . . 73.450000000000003 110.885 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 600' ' ' TRP . . . . . . . . . . . . . 16.5 m0 -60.72 -50.26 74.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 72.219999999999999 110.876 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 601' ' ' ARG . . . . . . . . . . . . . 25.8 mmm-85 -53.08 -43.28 66.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 72.310000000000002 110.873 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 602' ' ' ASP . . . . . 0.548 ' C ' HD13 ' A' ' 595' ' ' LEU . 1.9 m-20 -67.83 -31.05 70.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 73.209999999999994 110.943 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 603' ' ' VAL . . . . . 0.736 HG23 ' O ' ' A' ' 599' ' ' ARG . 70.5 t -66.47 -34.64 71.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 75.25 111.148 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 16.4 tptp -71.97 -44.64 63.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 71.450000000000003 110.87 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 605' ' ' MET . . . . . . . . . . . . . 23.0 mmm -72.92 -31.54 64.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.214 -0.448 . . . . 55.43 110.845 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 606' ' ' ARG . . . . . 0.583 ' CB ' HD11 ' A' ' 595' ' ' LEU . 7.3 ttm-85 -77.71 -40.64 40.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 75.340000000000003 110.833 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -86.92 -70.84 0.59 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 74.400000000000006 111.068 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 608' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 75.420000000000002 110.882 -179.869 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 616' ' ' TYR . . . . . . . . . . . . . 15.8 p90 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.906 0.384 . . . . 60.340000000000003 110.912 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 617' ' ' VAL . . . . . . . . . . . . . 12.0 p -71.75 -33.6 49.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 63.530000000000001 111.096 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 618' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.69 -50.66 71.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.271 -0.422 . . . . 73.030000000000001 110.877 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 619' ' ' LEU . . . . . 0.487 HD13 ' CG1' ' A' ' 603' ' ' VAL . 1.1 pp -66.89 -28.22 68.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 74.129999999999995 110.993 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 620' ' ' LYS . . . . . . . . . . . . . 39.3 mtpt -68.06 -35.08 77.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 75.209999999999994 110.922 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -71.6 -49.8 36.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 73.239999999999995 110.871 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 18.3 mtmt -55.03 -41.76 71.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 72.129999999999995 110.876 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 623' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -68.65 -49.61 57.75 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.244 -0.435 . . . . 73.319999999999993 110.933 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -52.26 -53.81 39.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.264 -0.426 . . . . 73.040000000000006 110.88 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 14.8 t -62.04 -29.23 70.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 61.420000000000002 111.154 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 626' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.92 -53.96 45.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 72.25 110.928 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 627' ' ' VAL . . . . . 0.597 ' O ' HD13 ' A' ' 632' ' ' ILE . 55.0 t -59.08 -54.62 31.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 71.219999999999999 111.154 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 628' ' ' HIS . . . . . 0.534 ' HA ' HD13 ' A' ' 632' ' ' ILE . 0.3 OUTLIER -53.09 -29.03 28.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 75.340000000000003 110.886 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 629' ' ' THR . . . . . . . . . . . . . 24.1 m -74.62 -30.06 61.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 73.409999999999997 111.186 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 630' ' ' ALA . . . . . 0.675 ' HA ' HD13 ' A' ' 647' ' ' LEU . . . -54.04 -50.13 67.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 72.340000000000003 111.019 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 631' ' ' SER . . . . . 0.711 ' C ' HD12 ' A' ' 632' ' ' ILE . 11.5 t 173.2 69.06 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 71.230000000000004 110.915 -179.758 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 632' ' ' ILE . . . . . 0.711 HD12 ' C ' ' A' ' 631' ' ' SER . 2.6 mp -129.73 -75.95 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 74.409999999999997 111.084 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 633' ' ' ALA . . . . . 0.464 ' N ' HG22 ' A' ' 632' ' ' ILE . . . . . . . . 0 C--N 1.33 -0.282 0 CA-C-O 121.557 0.694 . . . . 75.209999999999994 111.117 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--O 1.232 0.19 0 CA-C-O 120.875 0.281 . . . . 73.510000000000005 112.243 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 642' ' ' VAL . . . . . 0.73 HG21 HD11 ' A' ' 647' ' ' LEU . 19.8 m -100.34 139.67 20.85 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-O 121.625 0.726 . . . . 65.230000000000004 111.138 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.91 129.47 17.49 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.617 2.212 . . . . 73.439999999999998 112.322 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 11.9 tm0? -61.43 -18.39 58.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.469 . . . . 74.049999999999997 110.932 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -65.45 -40.65 93.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 74.219999999999999 110.913 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 646' ' ' LEU . . . . . 0.973 HD22 HG11 ' A' ' 589' ' ' VAL . 62.5 mt -75.37 -53.08 9.32 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.192 -0.458 . . . . 62.520000000000003 110.892 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 647' ' ' LEU . . . . . 0.73 HD11 HG21 ' A' ' 642' ' ' VAL . 52.2 mt -53.32 -42.85 67.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 63.5 110.912 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -72.56 -30.21 64.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 73.349999999999994 110.853 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 3.1 mmt-85 -71.39 -48.77 47.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 63.020000000000003 110.847 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 650' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -62.42 -33.2 58.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 62.530000000000001 111.142 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 1.1 mp -71.38 -36.28 71.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 63.109999999999999 110.941 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -62.4 -46.1 90.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 71.409999999999997 111.167 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 653' ' ' ALA . . . . . 0.526 ' HB2' ' OE1' ' A' ' 593' ' ' GLU . . . -75.61 -48.98 19.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 73.219999999999999 111.083 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 654' ' ' HIS . . . . . . . . . . . . . 37.6 t-80 -53.31 -41.09 65.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 73.230000000000004 110.906 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -77.2 -46.85 21.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 72.129999999999995 111.07 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 76.3 t80 -55.26 -49.56 71.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 74.200000000000003 110.976 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 657' ' ' TRP . . . . . . . . . . . . . 60.8 m95 -70.44 -36.35 73.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.491 . . . . 75.129999999999995 110.961 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 1.8 t -53.86 -34.94 60.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 71.400000000000006 110.867 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 659' ' ' GLN . . . . . . . . . . . . . 36.5 mm-40 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.089 -0.505 . . . . 74.420000000000002 110.955 -179.973 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 20.3 m . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.87 0.367 . . . . 44.329999999999998 110.888 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 582' ' ' VAL . . . . . . . . . . . . . 97.9 t -51.77 -29.62 10.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 71.109999999999999 111.167 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -69.15 -45.29 70.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 75.230000000000004 111.107 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 584' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -68.22 -53.91 21.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 62.240000000000002 110.828 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 585' ' ' VAL . . . . . 0.795 HG13 HD11 ' A' ' 626' ' ' LEU . 38.4 t -54.31 -34.45 27.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.477 . . . . 64.409999999999997 111.134 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 586' ' ' GLU . . . . . 0.574 ' HG3' HD11 ' A' ' 646' ' ' LEU . 18.6 mt-10 -62.0 -51.69 67.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 70.200000000000003 110.894 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 587' ' ' ALA . . . . . . . . . . . . . . . -65.13 -40.89 95.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 71.120000000000005 111.146 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 588' ' ' LEU . . . . . 0.447 ' O ' HG23 ' A' ' 592' ' ' VAL . 0.2 OUTLIER -58.32 -54.24 49.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 75.420000000000002 110.913 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 589' ' ' VAL . . . . . 0.517 HG21 ' HB3' ' A' ' 646' ' ' LEU . 58.3 t -65.92 -54.32 28.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.137 -0.483 . . . . 65.109999999999999 111.101 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -50.61 -47.38 58.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.133 -0.485 . . . . 61.219999999999999 110.905 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 591' ' ' ALA . . . . . 0.635 ' HB3' HG13 ' A' ' 603' ' ' VAL . . . -66.12 -38.04 87.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.088 -0.505 . . . . 45.409999999999997 111.116 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 592' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 588' ' ' LEU . 13.0 t -69.56 -26.99 32.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 74.030000000000001 111.123 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.7 -36.53 65.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.451 . . . . 75.319999999999993 110.953 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -85.63 -47.53 9.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 63.310000000000002 110.885 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 595' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -79.84 -24.25 41.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.208 -0.451 . . . . 75.430000000000007 110.931 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 596' ' ' GLY . . . . . . . . . . . . . . . 83.05 -174.48 52.67 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.699 -0.762 . . . . 52.030000000000001 112.502 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 1.9 p -93.64 23.4 4.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.837 0.351 . . . . 63.32 111.131 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 598' ' ' GLY . . . . . . . . . . . . . . . -122.11 -13.67 4.83 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.736 -0.745 . . . . 74.019999999999996 112.474 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 599' ' ' ARG . . . . . 0.587 ' O ' HG23 ' A' ' 603' ' ' VAL . 18.4 mtt180 -119.75 78.13 1.3 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.84 0.352 . . . . 73.409999999999997 110.882 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 600' ' ' TRP . . . . . . . . . . . . . 2.7 m0 -68.71 -50.16 53.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 72.010000000000005 110.911 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 601' ' ' ARG . . . . . . . . . . . . . 90.9 mtt180 -52.86 -40.98 63.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 71.319999999999993 110.868 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 602' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -68.07 -30.41 69.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 60.119999999999997 110.872 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 603' ' ' VAL . . . . . 0.635 HG13 ' HB3' ' A' ' 591' ' ' ALA . 52.6 t -72.8 -32.54 40.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 74.109999999999999 111.143 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 6.2 ttpm? -71.4 -41.96 68.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 75.409999999999997 110.875 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 605' ' ' MET . . . . . . . . . . . . . 19.9 ptp -72.87 -31.57 64.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 65.109999999999999 110.908 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 606' ' ' ARG . . . . . . . . . . . . . 2.9 ttt85 -80.63 -40.63 25.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 63.5 110.857 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -80.25 -68.95 0.63 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 61.439999999999998 111.107 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 608' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 65.409999999999997 110.81 -179.886 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 616' ' ' TYR . . . . . . . . . . . . . 24.6 p90 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.897 0.379 . . . . 73.049999999999997 110.924 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 617' ' ' VAL . . . . . . . . . . . . . 10.1 p -71.45 -33.62 50.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.097 -0.502 . . . . 74.439999999999998 111.111 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 618' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -51.5 -50.74 59.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 70.010000000000005 110.924 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 619' ' ' LEU . . . . . . . . . . . . . 1.2 pp -60.58 -26.13 66.73 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.207 -0.451 . . . . 62.409999999999997 110.842 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 620' ' ' LYS . . . . . . . . . . . . . 9.6 ttmt -71.0 -34.22 71.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 64.310000000000002 110.93 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -71.23 -41.02 70.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 72.340000000000003 110.867 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 9.6 mmtt -66.4 -33.64 76.16 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.232 -0.44 . . . . 64.129999999999995 110.858 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 623' ' ' TRP . . . . . . . . . . . . . 1.1 t90 -69.18 -52.1 31.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.22 -0.446 . . . . 73.420000000000002 110.976 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.75 -54.94 19.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.284 -0.416 . . . . 71.109999999999999 110.903 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 7.2 t -59.86 -32.22 70.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.273 -0.421 . . . . 71.129999999999995 111.176 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 626' ' ' LEU . . . . . 0.795 HD11 HG13 ' A' ' 585' ' ' VAL . 0.3 OUTLIER -60.74 -53.67 54.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 44.219999999999999 110.935 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 627' ' ' VAL . . . . . 0.595 ' O ' HD13 ' A' ' 632' ' ' ILE . 76.4 t -54.43 -52.13 42.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 75.299999999999997 111.101 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 628' ' ' HIS . . . . . 0.515 ' CE1' HG21 ' A' ' 632' ' ' ILE . 1.6 m-70 -52.35 -34.66 48.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 75.400000000000006 110.851 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 629' ' ' THR . . . . . . . . . . . . . 19.7 m -71.06 -29.43 65.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 55.109999999999999 111.145 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 630' ' ' ALA . . . . . 0.649 ' HA ' HD13 ' A' ' 647' ' ' LEU . . . -54.4 -49.94 68.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.249 -0.432 . . . . 75.129999999999995 111.085 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 631' ' ' SER . . . . . 0.727 ' C ' HD12 ' A' ' 632' ' ' ILE . 11.6 t 173.61 68.76 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.216 -0.447 . . . . 62.43 110.888 -179.748 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 632' ' ' ILE . . . . . 0.727 HD12 ' C ' ' A' ' 631' ' ' SER . 2.2 mp -128.52 -74.33 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 75.439999999999998 111.123 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 633' ' ' ALA . . . . . 0.484 ' N ' HG22 ' A' ' 632' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-O 121.577 0.703 . . . . 72.25 111.106 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.141 0 CA-C-O 120.814 0.256 . . . . 63.25 112.306 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 642' ' ' VAL . . . . . 0.496 HG23 ' HD2' ' A' ' 643' ' ' PRO . 4.4 p -91.98 134.41 28.81 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.587 0.708 . . . . 75.25 111.177 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 643' ' ' PRO . . . . . 0.496 ' HD2' HG23 ' A' ' 642' ' ' VAL . 54.5 Cg_endo -69.8 128.87 16.61 Favored 'Trans proline' 0 C--N 1.34 0.131 0 C-N-CA 122.739 2.293 . . . . 73.5 112.332 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -67.36 -20.63 65.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 74.129999999999995 110.915 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -65.38 -42.82 92.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 71.129999999999995 110.921 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 646' ' ' LEU . . . . . 0.574 HD11 ' HG3' ' A' ' 586' ' ' GLU . 26.9 mt -75.39 -40.17 58.24 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.187 -0.461 . . . . 74.219999999999999 110.903 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 647' ' ' LEU . . . . . 0.649 HD13 ' HA ' ' A' ' 630' ' ' ALA . 50.6 mt -68.07 -37.95 81.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 74.319999999999993 110.935 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 39.5 t0 -73.07 -30.69 63.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.187 -0.461 . . . . 75.219999999999999 110.897 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 11.0 mmp_? -74.96 -49.19 20.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.168 -0.469 . . . . 73.329999999999998 110.875 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 650' ' ' VAL . . . . . . . . . . . . . 1.4 p -60.34 -33.13 52.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 55.329999999999998 111.1 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 651' ' ' LEU . . . . . 0.516 ' CD1' ' HB1' ' A' ' 630' ' ' ALA . 15.4 mt -70.98 -43.06 68.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.455 . . . . 72.400000000000006 110.853 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -61.63 -42.14 98.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 32.119999999999997 111.118 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -75.81 -45.54 35.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 64.319999999999993 111.106 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 654' ' ' HIS . . . . . . . . . . . . . 46.3 t60 -54.7 -47.83 73.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 72.340000000000003 110.863 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -67.1 -46.68 73.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 73.340000000000003 111.05 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -56.87 -49.51 75.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 70.439999999999998 110.87 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 657' ' ' TRP . . . . . . . . . . . . . 61.6 m95 -70.39 -38.16 74.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 72.319999999999993 110.939 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 2.9 m -53.81 -33.48 56.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.267 -0.424 . . . . 53.439999999999998 110.845 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 659' ' ' GLN . . . . . . . . . . . . . 43.0 mm-40 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 72.439999999999998 110.87 -179.96 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 581' ' ' SER . . . . . 0.699 ' O ' HG23 ' A' ' 585' ' ' VAL . 3.0 m . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.901 0.381 . . . . 63.119999999999997 110.835 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 582' ' ' VAL . . . . . . . . . . . . . 15.6 m -52.69 -40.88 36.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.086 -0.506 . . . . 61.409999999999997 111.179 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -69.95 -33.93 72.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 60.25 111.079 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 584' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -74.41 -38.18 63.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 53.130000000000003 110.868 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 585' ' ' VAL . . . . . 0.699 HG23 ' O ' ' A' ' 581' ' ' SER . 81.6 t -53.65 -33.17 22.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.114 -0.493 . . . . 75.319999999999993 111.178 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 586' ' ' GLU . . . . . 0.459 ' HA ' HD22 ' A' ' 646' ' ' LEU . 9.9 pt-20 -51.14 -31.43 19.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.108 -0.496 . . . . 74.209999999999994 110.875 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 587' ' ' ALA . . . . . . . . . . . . . . . -61.07 -43.41 98.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 74.0 111.099 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 588' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.5 -44.08 88.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 70.329999999999998 110.973 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 589' ' ' VAL . . . . . 0.528 HG21 ' HB3' ' A' ' 646' ' ' LEU . 60.7 t -66.75 -56.09 15.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 44.409999999999997 111.15 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -54.94 -33.07 61.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 74.439999999999998 110.91 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 591' ' ' ALA . . . . . 0.45 ' HB2' ' HG3' ' A' ' 606' ' ' ARG . . . -69.8 -46.61 65.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 74.420000000000002 111.026 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 592' ' ' VAL . . . . . 0.462 HG12 ' O ' ' A' ' 589' ' ' VAL . 13.0 p -74.58 -25.72 19.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 65.230000000000004 111.155 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 593' ' ' GLU . . . . . 0.438 ' HG2' ' HB2' ' A' ' 653' ' ' ALA . 2.1 mt-10 -72.89 -41.23 64.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.099 -0.501 . . . . 74.349999999999994 110.847 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -84.28 -46.49 11.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 71.430000000000007 110.871 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 595' ' ' LEU . . . . . 0.619 HD22 ' HB3' ' A' ' 602' ' ' ASP . 11.4 mt -79.56 -16.93 55.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 64.019999999999996 110.927 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 596' ' ' GLY . . . . . . . . . . . . . . . 88.7 174.12 46.98 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.771 -0.728 . . . . 71.040000000000006 112.531 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 3.8 p -90.85 29.5 1.34 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.834 0.35 . . . . 71.420000000000002 111.17 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 598' ' ' GLY . . . . . . . . . . . . . . . -133.75 2.78 4.52 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.731 -0.747 . . . . 54.409999999999997 112.482 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 599' ' ' ARG . . . . . 0.664 ' O ' HG23 ' A' ' 603' ' ' VAL . 56.3 mtt85 -122.18 74.5 1.16 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.804 0.335 . . . . 72.349999999999994 110.923 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 600' ' ' TRP . . . . . . . . . . . . . 26.9 m0 -62.33 -50.1 72.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 75.209999999999994 110.911 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 601' ' ' ARG . . . . . . . . . . . . . 33.4 mtt85 -52.71 -48.72 66.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 54.210000000000001 110.811 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 602' ' ' ASP . . . . . 0.619 ' HB3' HD22 ' A' ' 595' ' ' LEU . 1.8 m-20 -63.08 -35.98 82.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.266 -0.425 . . . . 63.109999999999999 110.888 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 603' ' ' VAL . . . . . 0.664 HG23 ' O ' ' A' ' 599' ' ' ARG . 50.1 t -64.31 -32.21 56.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 74.430000000000007 111.1 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 11.8 ttpt -69.1 -48.17 63.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 72.299999999999997 110.946 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 605' ' ' MET . . . . . . . . . . . . . 37.6 mtp -73.13 -31.12 64.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 74.510000000000005 110.901 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 606' ' ' ARG . . . . . 0.556 ' CB ' HD11 ' A' ' 595' ' ' LEU . 0.2 OUTLIER -76.27 -36.57 58.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 74.150000000000006 110.895 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -88.61 -67.86 0.81 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 73.310000000000002 111.077 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 608' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 75.129999999999995 110.821 -179.923 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 616' ' ' TYR . . . . . . . . . . . . . 15.3 p90 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.945 0.403 . . . . 73.040000000000006 110.935 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 617' ' ' VAL . . . . . . . . . . . . . 13.8 p -60.26 -33.11 52.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.092 -0.504 . . . . 71.219999999999999 111.119 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 618' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.13 -50.57 72.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 74.420000000000002 110.882 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 619' ' ' LEU . . . . . 0.654 HD13 ' CG1' ' A' ' 603' ' ' VAL . 0.6 OUTLIER -61.38 -25.27 67.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 72.219999999999999 110.903 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 620' ' ' LYS . . . . . . . . . . . . . 22.6 ttpt -74.65 -33.81 62.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 74.230000000000004 110.936 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -71.65 -36.02 70.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 73.420000000000002 110.869 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 5.2 mttm -71.1 -41.14 70.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.45 . . . . 64.409999999999997 110.89 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 623' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -70.53 -50.23 39.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 73.109999999999999 110.854 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 17.0 tttt -50.73 -54.91 19.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 64.329999999999998 110.879 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 13.7 t -61.98 -31.0 71.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 64.450000000000003 111.173 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 626' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.68 -53.73 54.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 75.439999999999998 110.892 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 627' ' ' VAL . . . . . 0.587 ' O ' HD13 ' A' ' 632' ' ' ILE . 77.6 t -58.49 -54.95 26.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 65.310000000000002 111.159 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 628' ' ' HIS . . . . . 0.542 ' HA ' HD13 ' A' ' 632' ' ' ILE . 49.9 m170 -53.01 -29.54 30.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 71.209999999999994 110.89 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 629' ' ' THR . . . . . . . . . . . . . 23.7 m -74.35 -29.63 61.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 62.350000000000001 111.185 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 630' ' ' ALA . . . . . 0.668 ' HA ' HD13 ' A' ' 647' ' ' LEU . . . -54.16 -49.88 68.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 74.409999999999997 111.144 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 631' ' ' SER . . . . . 0.697 ' C ' HD12 ' A' ' 632' ' ' ILE . 11.8 t 173.26 68.52 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 65.129999999999995 110.852 -179.791 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 632' ' ' ILE . . . . . 0.697 HD12 ' C ' ' A' ' 631' ' ' SER . 2.8 mp -130.28 -76.43 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.106 -0.497 . . . . 52.130000000000003 111.11 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 633' ' ' ALA . . . . . 0.456 ' N ' HG22 ' A' ' 632' ' ' ILE . . . . . . . . 0 C--N 1.328 -0.329 0 CA-C-O 121.613 0.721 . . . . 74.040000000000006 111.151 179.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 N--CA 1.465 -0.193 0 CA-C-O 120.766 0.236 . . . . 61.340000000000003 112.333 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 642' ' ' VAL . . . . . 0.504 HG23 ' HD2' ' A' ' 643' ' ' PRO . 3.9 p -105.32 134.44 19.67 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.659 0.742 . . . . 62.149999999999999 111.151 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 643' ' ' PRO . . . . . 0.504 ' HD2' HG23 ' A' ' 642' ' ' VAL . 53.5 Cg_endo -69.76 128.62 16.3 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.742 2.295 . . . . 74.140000000000001 112.309 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -68.04 -25.62 65.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 55.119999999999997 110.912 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -62.93 -41.33 99.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 73.549999999999997 110.915 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 646' ' ' LEU . . . . . 0.528 ' HB3' HG21 ' A' ' 589' ' ' VAL . 58.2 mt -74.91 -34.81 62.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.494 . . . . 73.040000000000006 110.917 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 647' ' ' LEU . . . . . 0.668 HD13 ' HA ' ' A' ' 630' ' ' ALA . 53.5 mt -71.73 -40.67 69.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 71.5 110.9 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.44 -30.23 64.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 63.439999999999998 110.827 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -74.47 -49.03 23.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 72.519999999999996 110.896 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 650' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -59.33 -33.61 51.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 71.319999999999993 111.12 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 651' ' ' LEU . . . . . 0.404 ' HA ' HD12 ' A' ' 651' ' ' LEU . 0.9 OUTLIER -71.53 -41.99 68.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 72.430000000000007 110.892 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -54.55 -48.17 72.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 71.409999999999997 111.101 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 653' ' ' ALA . . . . . 0.438 ' HB2' ' HG2' ' A' ' 593' ' ' GLU . . . -75.06 -46.32 35.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 61.240000000000002 111.091 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 654' ' ' HIS . . . . . . . . . . . . . 52.2 t-80 -54.04 -41.51 68.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 64.150000000000006 110.861 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -76.04 -46.87 27.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 14.199999999999999 111.125 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 65.4 t80 -55.59 -49.43 72.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 73.349999999999994 110.918 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 657' ' ' TRP . . . . . . . . . . . . . 64.1 m95 -70.26 -36.7 74.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.152 -0.477 . . . . 55.329999999999998 110.916 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 16.4 t -54.09 -34.79 61.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.435 . . . . 71.010000000000005 110.889 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 659' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.495 . . . . 64.030000000000001 110.931 -179.974 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 581' ' ' SER . . . . . 0.416 ' O ' HG23 ' A' ' 585' ' ' VAL . 18.0 m . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.9 0.381 . . . . 41.140000000000001 110.857 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 582' ' ' VAL . . . . . . . . . . . . . 99.0 t -51.67 -37.65 20.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 61.340000000000003 111.102 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -69.61 -48.14 61.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 63.350000000000001 111.086 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 584' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -63.55 -54.77 30.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 74.219999999999999 110.852 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 585' ' ' VAL . . . . . 0.807 HG12 HD13 ' A' ' 646' ' ' LEU . 60.7 t -54.05 -33.84 25.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 75.019999999999996 111.086 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 586' ' ' GLU . . . . . 0.553 ' HG3' HD11 ' A' ' 646' ' ' LEU . 19.6 mt-10 -63.03 -52.12 64.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 70.329999999999998 110.93 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 587' ' ' ALA . . . . . 0.65 ' HB1' ' HA ' ' A' ' 607' ' ' ALA . . . -64.12 -31.42 72.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 54.539999999999999 111.083 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 588' ' ' LEU . . . . . 0.455 HD13 ' C ' ' A' ' 588' ' ' LEU . 2.4 tm? -66.41 -54.47 23.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 71.340000000000003 110.877 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 589' ' ' VAL . . . . . 0.599 HG21 ' HB3' ' A' ' 646' ' ' LEU . 47.9 t -60.75 -54.45 35.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 60.420000000000002 111.119 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -51.79 -37.1 50.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.153 -0.476 . . . . 75.420000000000002 110.927 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 591' ' ' ALA . . . . . 0.508 ' HB2' ' HG3' ' A' ' 606' ' ' ARG . . . -72.66 -40.22 66.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.067 -0.515 . . . . 44.43 111.082 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 592' ' ' VAL . . . . . . . . . . . . . 37.4 t -73.84 -26.07 21.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 75.140000000000001 111.176 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.02 -39.47 63.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 73.310000000000002 110.863 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 31.3 m170 -85.79 -47.26 9.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 71.319999999999993 110.891 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 595' ' ' LEU . . . . . 0.505 HD22 ' CB ' ' A' ' 602' ' ' ASP . 14.5 mt -79.56 -23.45 42.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 70.510000000000005 110.895 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 596' ' ' GLY . . . . . . . . . . . . . . . 84.22 -174.84 51.05 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.707 -0.758 . . . . 72.109999999999999 112.448 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 36.1 p -94.83 28.28 2.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.838 0.351 . . . . 60.32 111.133 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 598' ' ' GLY . . . . . . . . . . . . . . . -121.72 -24.83 2.25 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.737 -0.744 . . . . 44.200000000000003 112.558 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 599' ' ' ARG . . . . . 0.471 ' O ' HG23 ' A' ' 603' ' ' VAL . 43.0 mtt85 -105.68 71.74 0.93 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.855 0.359 . . . . 74.129999999999995 110.873 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 600' ' ' TRP . . . . . . . . . . . . . 5.1 m0 -59.8 -49.77 76.43 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.15 -0.477 . . . . 75.430000000000007 110.904 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 601' ' ' ARG . . . . . . . . . . . . . 73.8 mtm180 -52.42 -45.63 66.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 71.230000000000004 110.892 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 602' ' ' ASP . . . . . 0.505 ' CB ' HD22 ' A' ' 595' ' ' LEU . 17.7 m-20 -63.43 -35.15 79.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 64.120000000000005 110.829 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 603' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 599' ' ' ARG . 55.5 t -64.73 -31.81 55.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 52.549999999999997 111.14 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 27.2 ttpt -69.52 -49.3 55.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.489 . . . . 75.439999999999998 110.857 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 605' ' ' MET . . . . . . . . . . . . . 6.8 ptm -72.91 -31.47 64.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.296 -0.411 . . . . 74.299999999999997 110.922 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 606' ' ' ARG . . . . . 0.508 ' HG3' ' HB2' ' A' ' 591' ' ' ALA . 19.0 tpp180 -75.09 -40.5 60.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 72.230000000000004 110.952 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 607' ' ' ALA . . . . . 0.65 ' HA ' ' HB1' ' A' ' 587' ' ' ALA . . . -84.88 -68.8 0.7 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.108 -0.496 . . . . 44.109999999999999 111.142 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 608' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 73.010000000000005 110.92 -179.95 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 616' ' ' TYR . . . . . . . . . . . . . 7.4 p90 . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.951 0.405 . . . . 73.239999999999995 110.996 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 617' ' ' VAL . . . . . 0.438 HG22 ' OD2' ' A' ' 621' ' ' ASP . 12.3 p -72.41 -32.67 42.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.081 -0.509 . . . . 75.140000000000001 111.117 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 618' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.67 -50.59 23.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 52.43 110.843 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 619' ' ' LEU . . . . . 0.423 ' C ' HD12 ' A' ' 619' ' ' LEU . 2.5 pp -63.14 -39.58 95.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 73.349999999999994 110.894 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 620' ' ' LYS . . . . . . . . . . . . . 11.6 ptmm? -72.13 -32.59 67.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 75.230000000000004 110.884 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 621' ' ' ASP . . . . . 0.438 ' OD2' HG22 ' A' ' 617' ' ' VAL . 16.1 m-20 -71.65 -35.27 70.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.431 . . . . 74.150000000000006 110.829 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 17.4 ttmt -69.65 -38.67 77.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.274 -0.421 . . . . 63.119999999999997 110.902 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 623' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -63.97 -51.64 63.39 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.21 -0.45 . . . . 75.519999999999996 110.874 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.12 -55.42 20.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 45.439999999999998 110.869 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 11.5 t -61.68 -30.26 70.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 72.340000000000003 111.063 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 626' ' ' LEU . . . . . 0.722 HD11 HG13 ' A' ' 585' ' ' VAL . 0.3 OUTLIER -60.14 -53.85 52.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.249 -0.432 . . . . 75.510000000000005 110.95 179.935 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 627' ' ' VAL . . . . . 0.637 ' O ' HD13 ' A' ' 632' ' ' ILE . 79.4 t -56.82 -51.85 62.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 72.129999999999995 111.077 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 628' ' ' HIS . . . . . 0.432 ' HA ' ' HB ' ' A' ' 632' ' ' ILE . 12.8 m-70 -53.76 -28.19 33.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 71.439999999999998 110.836 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 629' ' ' THR . . . . . . . . . . . . . 21.3 m -79.28 -29.59 42.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 70.319999999999993 111.136 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 630' ' ' ALA . . . . . 0.672 ' HA ' HD13 ' A' ' 647' ' ' LEU . . . -55.24 -49.41 72.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 71.430000000000007 111.063 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 631' ' ' SER . . . . . 0.682 ' C ' HD12 ' A' ' 632' ' ' ILE . 10.8 t 173.32 70.64 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 61.310000000000002 110.903 -179.768 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 632' ' ' ILE . . . . . 0.682 HD12 ' C ' ' A' ' 631' ' ' SER . 1.8 mp -124.96 -65.46 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.135 -0.484 . . . . 62.409999999999997 111.162 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 633' ' ' ALA . . . . . 0.449 ' N ' HG22 ' A' ' 632' ' ' ILE . . . . . . . . 0 C--N 1.328 -0.339 0 CA-C-O 121.556 0.694 . . . . 74.010000000000005 111.109 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo . . . . . 0 C--O 1.231 0.142 0 CA-C-O 120.849 0.27 . . . . 73.120000000000005 112.353 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 642' ' ' VAL . . . . . 0.51 HG21 HD11 ' A' ' 647' ' ' LEU . 1.7 p -134.35 130.93 20.31 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.654 0.74 . . . . 62.119999999999997 111.121 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 643' ' ' PRO . . . . . 0.451 ' HG2' HD12 ' A' ' 646' ' ' LEU . 54.3 Cg_endo -69.78 128.54 16.16 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.693 2.262 . . . . 73.420000000000002 112.358 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -70.52 -21.71 62.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 74.200000000000003 110.866 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -68.18 -38.11 81.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 70.200000000000003 110.846 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 646' ' ' LEU . . . . . 0.807 HD13 HG12 ' A' ' 585' ' ' VAL . 50.2 mt -75.41 -42.05 54.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 73.219999999999999 110.976 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 647' ' ' LEU . . . . . 0.672 HD13 ' HA ' ' A' ' 630' ' ' ALA . 53.5 mt -65.3 -40.89 94.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 73.150000000000006 110.928 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -72.44 -33.02 66.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 73.409999999999997 110.882 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 5.8 mtp85 -74.52 -48.81 24.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 72.099999999999994 110.81 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 650' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -58.08 -33.66 47.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 74.299999999999997 111.151 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 651' ' ' LEU . . . . . 0.496 ' CD1' HG13 ' A' ' 627' ' ' VAL . 0.8 OUTLIER -71.5 -42.77 67.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 74.230000000000004 110.889 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -54.6 -51.25 65.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.429 . . . . 54.420000000000002 111.169 179.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -71.84 -41.27 68.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 73.019999999999996 111.097 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 654' ' ' HIS . . . . . . . . . . . . . 31.1 t-80 -53.24 -44.99 68.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 75.540000000000006 110.876 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -67.28 -47.33 70.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 73.439999999999998 111.098 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 73.9 t80 -55.15 -49.99 70.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 73.200000000000003 110.906 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 657' ' ' TRP . . . . . . . . . . . . . 55.4 m95 -71.12 -36.68 72.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 72.319999999999993 110.937 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 7.6 t -53.67 -32.12 50.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 60.240000000000002 110.855 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 659' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 75.340000000000003 110.973 179.996 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 16.8 m . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.92 0.391 . . . . 73.129999999999995 110.875 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 582' ' ' VAL . . . . . 0.623 HG13 ' HG3' ' A' ' 643' ' ' PRO . 85.1 t -54.43 -36.84 35.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.149 -0.478 . . . . 54.549999999999997 111.135 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -68.72 -36.82 78.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 52.520000000000003 111.09 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 584' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -75.29 -41.24 57.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 72.439999999999998 110.9 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 585' ' ' VAL . . . . . . . . . . . . . 92.3 t -66.28 -37.09 78.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.107 -0.497 . . . . 71.140000000000001 111.12 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -51.49 -30.71 20.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.456 . . . . 74.129999999999995 110.878 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 587' ' ' ALA . . . . . . . . . . . . . . . -64.78 -46.12 83.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 72.299999999999997 111.062 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 588' ' ' LEU . . . . . 0.414 HD21 ' HB2' ' A' ' 619' ' ' LEU . 0.1 OUTLIER -59.06 -55.33 36.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.456 . . . . 73.519999999999996 110.977 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 589' ' ' VAL . . . . . 0.727 HG11 HD22 ' A' ' 646' ' ' LEU . 3.6 p -60.02 -50.55 79.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 73.239999999999995 111.092 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 590' ' ' GLU . . . . . 0.516 ' N ' HG13 ' A' ' 589' ' ' VAL . 19.0 mm-40 -60.08 -29.69 68.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 74.109999999999999 110.903 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 591' ' ' ALA . . . . . 0.46 ' CB ' HG13 ' A' ' 603' ' ' VAL . . . -74.8 -43.86 52.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 64.349999999999994 111.045 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 592' ' ' VAL . . . . . . . . . . . . . 12.8 p -75.52 -25.81 17.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 64.340000000000003 111.152 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 593' ' ' GLU . . . . . 0.42 ' HG2' ' HB2' ' A' ' 653' ' ' ALA . 2.2 mt-10 -73.71 -36.61 65.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 72.129999999999995 110.911 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 46.7 m170 -84.15 -47.26 11.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.469 . . . . 72.25 110.91 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 595' ' ' LEU . . . . . 0.402 HD13 ' HA ' ' A' ' 595' ' ' LEU . 4.1 mm? -80.29 -23.43 40.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 73.319999999999993 110.948 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 596' ' ' GLY . . . . . . . . . . . . . . . 94.16 175.07 39.22 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.746 -0.74 . . . . 71.109999999999999 112.476 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 597' ' ' THR . . . . . 0.475 HG21 ' CD2' ' A' ' 654' ' ' HIS . 0.4 OUTLIER -88.91 17.22 5.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.797 0.332 . . . . 43.43 111.13 -179.895 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 598' ' ' GLY . . . . . . . . . . . . . . . -125.24 15.22 7.3 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.802 -0.713 . . . . 73.129999999999995 112.504 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 599' ' ' ARG . . . . . 0.645 ' O ' HG23 ' A' ' 603' ' ' VAL . 40.4 mtt85 -140.75 79.26 1.69 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.843 0.354 . . . . 73.549999999999997 110.898 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 600' ' ' TRP . . . . . . . . . . . . . 10.9 m0 -69.32 -46.08 67.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 74.430000000000007 110.99 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 601' ' ' ARG . . . . . . . . . . . . . 46.7 ttm-85 -53.06 -48.97 67.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 73.450000000000003 110.884 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 602' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -64.41 -38.65 91.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.214 -0.448 . . . . 74.25 110.88 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 603' ' ' VAL . . . . . 0.645 HG23 ' O ' ' A' ' 599' ' ' ARG . 25.1 t -57.5 -36.74 54.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.177 -0.465 . . . . 54.229999999999997 111.131 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 3.7 ttpm? -72.19 -39.29 68.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 64.0 110.883 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 605' ' ' MET . . . . . . . . . . . . . 45.8 mmm -69.9 -31.57 69.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 73.030000000000001 110.919 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 606' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.39 -40.57 17.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 64.040000000000006 110.893 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -80.79 -69.36 0.61 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 75.150000000000006 111.111 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 608' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 71.120000000000005 110.869 -179.909 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 616' ' ' TYR . . . . . . . . . . . . . 35.9 p90 . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.931 0.396 . . . . 74.400000000000006 110.896 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 617' ' ' VAL . . . . . . . . . . . . . 7.9 p -70.85 -36.43 64.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 62.229999999999997 111.176 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 618' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.69 -50.82 72.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.086 -0.506 . . . . 72.099999999999994 110.856 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 619' ' ' LEU . . . . . 0.414 ' HB2' HD21 ' A' ' 588' ' ' LEU . 0.8 OUTLIER -73.07 -19.86 61.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.271 -0.422 . . . . 54.25 110.882 -179.88 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 620' ' ' LYS . . . . . . . . . . . . . 4.6 tmmm? -68.02 -50.08 57.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 71.319999999999993 110.867 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 -71.89 -32.85 67.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 75.409999999999997 110.845 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 1.1 tppp? -65.73 -40.39 92.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 53.210000000000001 110.948 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 623' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -72.44 -44.48 62.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 75.120000000000005 110.948 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -51.05 -45.87 61.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.267 -0.424 . . . . 72.439999999999998 110.912 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 8.8 t -74.74 -37.48 62.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 42.109999999999999 111.142 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 626' ' ' LEU . . . . . 0.712 HD22 HG21 ' A' ' 650' ' ' VAL . 0.5 OUTLIER -54.96 -54.86 37.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.267 -0.424 . . . . 73.430000000000007 110.85 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 627' ' ' VAL . . . . . 0.634 ' O ' HD13 ' A' ' 632' ' ' ILE . 91.2 t -61.92 -54.68 31.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 72.040000000000006 111.089 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 628' ' ' HIS . . . . . 0.455 ' HA ' ' HB ' ' A' ' 632' ' ' ILE . 11.6 m170 -53.75 -26.53 23.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 73.450000000000003 110.884 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 629' ' ' THR . . . . . . . . . . . . . 36.3 m -78.36 -30.05 47.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 60.119999999999997 111.141 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 630' ' ' ALA . . . . . 0.597 ' HA ' HD13 ' A' ' 647' ' ' LEU . . . -52.81 -49.7 65.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 73.310000000000002 111.059 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 631' ' ' SER . . . . . 0.685 ' C ' HD12 ' A' ' 632' ' ' ILE . 0.4 OUTLIER 169.41 67.53 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 64.420000000000002 110.845 -179.77 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 632' ' ' ILE . . . . . 0.685 HD12 ' C ' ' A' ' 631' ' ' SER . 2.6 mp -128.19 -75.44 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.087 -0.506 . . . . 72.310000000000002 111.099 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 633' ' ' ALA . . . . . 0.453 ' N ' HG22 ' A' ' 632' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 121.594 0.711 . . . . 63.509999999999998 111.117 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--O 1.232 0.183 0 CA-C-O 120.834 0.264 . . . . 73.299999999999997 112.354 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 642' ' ' VAL . . . . . 0.804 HG21 HD11 ' A' ' 647' ' ' LEU . 5.8 m -106.5 139.44 20.34 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.674 0.75 . . . . 73.340000000000003 111.067 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 643' ' ' PRO . . . . . 0.623 ' HG3' HG13 ' A' ' 582' ' ' VAL . 53.7 Cg_endo -69.68 128.98 16.88 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.697 2.264 . . . . 70.530000000000001 112.378 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -65.63 -17.78 64.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 74.420000000000002 110.951 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -67.53 -42.98 81.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 71.409999999999997 110.83 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 646' ' ' LEU . . . . . 0.727 HD22 HG11 ' A' ' 589' ' ' VAL . 65.1 mt -71.98 -53.45 12.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.141 -0.481 . . . . 73.450000000000003 110.922 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 647' ' ' LEU . . . . . 0.804 HD11 HG21 ' A' ' 642' ' ' VAL . 45.9 mt -51.73 -51.78 53.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 74.109999999999999 110.931 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -56.9 -41.17 77.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 73.430000000000007 110.804 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 1.4 mmm180 -65.71 -40.48 92.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 64.010000000000005 110.858 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 650' ' ' VAL . . . . . 0.712 HG21 HD22 ' A' ' 626' ' ' LEU . 92.7 t -61.53 -55.11 26.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 62.310000000000002 111.09 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 651' ' ' LEU . . . . . 0.451 ' CD1' ' HB1' ' A' ' 630' ' ' ALA . 24.5 mt -63.2 -25.52 68.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 63.329999999999998 110.951 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -64.51 -51.37 63.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 53.409999999999997 111.152 179.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 653' ' ' ALA . . . . . 0.42 ' HB2' ' HG2' ' A' ' 593' ' ' GLU . . . -75.82 -49.48 17.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 63.119999999999997 111.134 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 654' ' ' HIS . . . . . 0.475 ' CD2' HG21 ' A' ' 597' ' ' THR . 19.7 m80 -53.26 -31.14 42.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.279 -0.419 . . . . 75.140000000000001 110.869 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -77.15 -46.9 21.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 32.329999999999998 111.075 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 77.2 t80 -63.27 -47.11 83.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 75.430000000000007 110.9 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 657' ' ' TRP . . . . . . . . . . . . . 33.1 m95 -65.41 -39.07 91.71 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.15 -0.477 . . . . 74.430000000000007 110.841 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 3.6 m -61.13 -33.07 72.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.285 -0.416 . . . . 72.219999999999999 110.938 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 659' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 75.540000000000006 110.911 -179.946 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 47.1 m . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.943 0.402 . . . . 73.030000000000001 110.857 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 582' ' ' VAL . . . . . . . . . . . . . 27.7 m -54.46 -32.15 24.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.087 -0.506 . . . . 64.230000000000004 111.125 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -64.78 -46.92 80.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 73.319999999999993 111.101 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 584' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -73.57 -44.19 57.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 61.32 110.89 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 585' ' ' VAL . . . . . 0.712 HG13 HD11 ' A' ' 626' ' ' LEU . 93.5 t -62.43 -35.4 69.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 73.319999999999993 111.139 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -58.07 -34.2 69.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.483 . . . . 73.120000000000005 110.844 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 587' ' ' ALA . . . . . . . . . . . . . . . -70.68 -45.42 65.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 42.140000000000001 111.1 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 588' ' ' LEU . . . . . 0.44 HD13 ' C ' ' A' ' 588' ' ' LEU . 2.3 tm? -55.84 -55.13 36.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 71.209999999999994 110.972 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 589' ' ' VAL . . . . . 0.657 HG22 HD13 ' A' ' 626' ' ' LEU . 36.9 t -61.49 -54.31 36.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 75.420000000000002 111.144 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -50.91 -44.22 60.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 74.450000000000003 110.874 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 591' ' ' ALA . . . . . 0.563 ' CB ' HG13 ' A' ' 603' ' ' VAL . . . -66.36 -39.94 89.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 61.240000000000002 111.105 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 592' ' ' VAL . . . . . . . . . . . . . 17.9 t -69.52 -26.47 31.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 64.329999999999998 111.094 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 593' ' ' GLU . . . . . 0.499 ' HG2' ' HB2' ' A' ' 653' ' ' ALA . 1.2 mt-10 -74.42 -36.81 63.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 73.010000000000005 110.886 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 -85.86 -48.61 8.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 60.420000000000002 110.839 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 595' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -79.93 -24.0 41.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 62.140000000000001 110.869 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 596' ' ' GLY . . . . . . . . . . . . . . . 88.2 -166.47 35.12 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.744 -0.741 . . . . 75.140000000000001 112.482 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 69.9 p -102.08 21.84 14.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.792 0.329 . . . . 75.530000000000001 111.095 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 598' ' ' GLY . . . . . . . . . . . . . . . -125.9 -8.99 4.94 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.765 -0.731 . . . . 34.140000000000001 112.523 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 599' ' ' ARG . . . . . 0.653 ' O ' HG23 ' A' ' 603' ' ' VAL . 56.8 mtt85 -116.49 76.86 1.05 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.824 0.345 . . . . 62.439999999999998 110.815 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 600' ' ' TRP . . . . . 0.787 ' HB3' HD11 ' A' ' 619' ' ' LEU . 7.5 m0 -68.73 -49.91 54.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 74.099999999999994 110.909 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 601' ' ' ARG . . . . . . . . . . . . . 74.5 mtm-85 -54.46 -46.43 73.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.278 -0.419 . . . . 62.200000000000003 110.882 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 602' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -63.33 -30.58 71.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 73.5 110.889 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 603' ' ' VAL . . . . . 0.653 HG23 ' O ' ' A' ' 599' ' ' ARG . 38.8 t -71.32 -34.69 54.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 73.319999999999993 111.112 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 33.2 tptt -71.09 -44.13 66.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 73.200000000000003 110.942 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 605' ' ' MET . . . . . . . . . . . . . 28.2 ptm -72.86 -31.72 64.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 74.400000000000006 110.893 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 606' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.95 -42.61 26.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.445 . . . . 74.420000000000002 110.873 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -77.11 -68.41 0.61 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 75.409999999999997 111.119 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 608' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 71.329999999999998 110.866 -179.878 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 616' ' ' TYR . . . . . 0.532 ' HA ' HD21 ' A' ' 619' ' ' LEU . 26.1 p90 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.951 0.405 . . . . 74.549999999999997 110.958 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 617' ' ' VAL . . . . . . . . . . . . . 9.5 p -72.02 -32.35 43.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 73.209999999999994 111.124 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 618' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.51 -51.54 34.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 71.219999999999999 110.89 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 619' ' ' LEU . . . . . 0.787 HD11 ' HB3' ' A' ' 600' ' ' TRP . 1.2 pp -65.25 -52.35 54.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 74.400000000000006 110.927 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 620' ' ' LYS . . . . . 0.503 ' N ' HD12 ' A' ' 619' ' ' LEU . 17.4 pttt -56.16 -33.11 64.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 73.109999999999999 110.893 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -64.96 -44.82 88.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 50.009999999999998 110.873 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 5.8 mptt -67.72 -28.25 67.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 75.150000000000006 110.871 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 623' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -73.33 -53.61 10.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.292 -0.413 . . . . 73.430000000000007 110.88 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -51.66 -42.73 62.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 73.519999999999996 110.918 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 12.6 t -72.45 -29.3 63.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.247 -0.433 . . . . 73.430000000000007 111.119 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 626' ' ' LEU . . . . . 0.712 HD11 HG13 ' A' ' 585' ' ' VAL . 0.6 OUTLIER -68.45 -55.53 11.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.218 -0.446 . . . . 75.439999999999998 110.882 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 627' ' ' VAL . . . . . 0.693 HG21 ' CG ' ' A' ' 654' ' ' HIS . 4.2 p -56.6 -45.0 82.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 75.420000000000002 111.096 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 628' ' ' HIS . . . . . 0.461 ' HA ' HD13 ' A' ' 632' ' ' ILE . 14.6 m170 -58.01 -38.04 75.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 64.319999999999993 110.817 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 629' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -69.25 -28.7 66.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 70.239999999999995 111.14 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 630' ' ' ALA . . . . . 0.773 ' HA ' HD13 ' A' ' 647' ' ' LEU . . . -53.7 -47.9 70.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 75.219999999999999 111.135 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 631' ' ' SER . . . . . 0.743 ' C ' HD12 ' A' ' 632' ' ' ILE . 0.5 OUTLIER 173.88 68.01 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.269 -0.423 . . . . 72.209999999999994 110.853 -179.763 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 632' ' ' ILE . . . . . 0.743 HD12 ' C ' ' A' ' 631' ' ' SER . 2.5 mp -134.11 -72.86 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 74.310000000000002 111.15 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 633' ' ' ALA . . . . . 0.445 ' N ' HG22 ' A' ' 632' ' ' ILE . . . . . . . . 0 C--N 1.33 -0.269 0 CA-C-O 121.695 0.76 . . . . 74.209999999999994 111.08 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 N--CA 1.466 -0.124 0 CA-C-O 120.8 0.25 . . . . 74.400000000000006 112.324 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 642' ' ' VAL . . . . . 0.67 ' CG2' HD11 ' A' ' 647' ' ' LEU . 17.0 m -101.0 140.15 21.07 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.568 0.699 . . . . 74.120000000000005 111.163 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 133.8 26.55 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.725 2.283 . . . . 62.25 112.328 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -62.08 -20.32 63.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 73.099999999999994 110.933 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -63.37 -41.53 98.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 72.430000000000007 110.922 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 646' ' ' LEU . . . . . 0.672 HD13 HG12 ' A' ' 585' ' ' VAL . 83.7 mt -75.56 -41.88 53.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 74.0 110.903 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 647' ' ' LEU . . . . . 0.773 HD13 ' HA ' ' A' ' 630' ' ' ALA . 54.9 mt -66.82 -33.38 75.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 61.350000000000001 110.88 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -72.54 -42.01 65.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.221 -0.445 . . . . 54.210000000000001 110.81 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 53.1 mtt180 -73.97 -48.14 32.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 70.209999999999994 110.921 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 650' ' ' VAL . . . . . 0.422 HG12 ' HA ' ' A' ' 647' ' ' LEU . 5.5 p -56.72 -34.78 43.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 75.409999999999997 111.135 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 651' ' ' LEU . . . . . 0.555 HD23 HG23 ' A' ' 627' ' ' VAL . 19.8 mt -71.53 -42.49 67.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 74.450000000000003 110.946 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -60.06 -49.47 77.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 43.109999999999999 111.152 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 653' ' ' ALA . . . . . 0.499 ' HB2' ' HG2' ' A' ' 593' ' ' GLU . . . -68.25 -48.27 65.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 74.319999999999993 111.128 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 654' ' ' HIS . . . . . 0.693 ' CG ' HG21 ' A' ' 627' ' ' VAL . 53.2 t60 -56.56 -43.52 80.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.248 -0.433 . . . . 73.319999999999993 110.828 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -74.2 -46.8 39.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 73.120000000000005 111.091 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 67.7 t80 -56.86 -49.49 75.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 75.109999999999999 110.901 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 657' ' ' TRP . . . . . . . . . . . . . 65.9 m95 -70.49 -31.13 68.12 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.154 -0.476 . . . . 74.230000000000004 110.85 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 2.2 t -59.33 -35.79 74.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.303 -0.408 . . . . 73.420000000000002 110.86 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 659' ' ' GLN . . . . . . . . . . . . . 20.1 tt0 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.489 . . . . 74.239999999999995 110.9 179.994 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 581' ' ' SER . . . . . 0.544 ' O ' HG23 ' A' ' 585' ' ' VAL . 1.3 m . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.906 0.384 . . . . 71.510000000000005 110.858 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 582' ' ' VAL . . . . . 0.532 HG12 ' HD3' ' A' ' 643' ' ' PRO . 32.0 m -55.19 -32.44 28.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.479 . . . . 71.310000000000002 111.169 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -69.3 -41.43 76.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 74.510000000000005 111.134 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 584' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -74.99 -41.25 59.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 64.25 110.84 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 585' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 581' ' ' SER . 97.9 t -61.29 -35.64 67.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.127 -0.488 . . . . 71.129999999999995 111.123 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -51.42 -30.64 19.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 74.140000000000001 110.886 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 587' ' ' ALA . . . . . 0.592 ' HB1' ' HA ' ' A' ' 607' ' ' ALA . . . -67.4 -47.36 70.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 74.019999999999996 111.103 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 588' ' ' LEU . . . . . 0.532 ' O ' HD13 ' A' ' 588' ' ' LEU . 0.5 OUTLIER -56.35 -47.14 79.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.216 -0.447 . . . . 34.020000000000003 110.956 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 589' ' ' VAL . . . . . 0.641 HG22 HD13 ' A' ' 626' ' ' LEU . 21.7 t -67.84 -56.77 11.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 55.140000000000001 111.099 179.802 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -55.0 -27.55 45.07 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.169 -0.469 . . . . 74.049999999999997 110.92 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 591' ' ' ALA . . . . . 0.41 ' HB2' ' HG3' ' A' ' 606' ' ' ARG . . . -75.69 -46.4 31.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 75.010000000000005 111.096 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 592' ' ' VAL . . . . . 0.441 HG23 ' HA ' ' A' ' 597' ' ' THR . 14.9 p -74.72 -25.63 19.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 75.25 111.101 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 593' ' ' GLU . . . . . 0.425 ' OE1' ' HB2' ' A' ' 653' ' ' ALA . 0.7 OUTLIER -72.96 -42.43 63.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 64.439999999999998 110.831 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -84.58 -47.2 10.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 74.329999999999998 110.803 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 595' ' ' LEU . . . . . 0.7 HD22 ' HB3' ' A' ' 602' ' ' ASP . 8.5 mt -79.88 -13.81 59.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 74.409999999999997 110.881 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 596' ' ' GLY . . . . . . . . . . . . . . . 85.41 173.46 49.67 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.736 -0.745 . . . . 70.310000000000002 112.509 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 597' ' ' THR . . . . . 0.441 ' HA ' HG23 ' A' ' 592' ' ' VAL . 0.2 OUTLIER -88.12 11.71 15.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.821 0.343 . . . . 70.140000000000001 111.153 -179.888 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 598' ' ' GLY . . . . . . . . . . . . . . . -120.08 14.33 10.35 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.721 -0.752 . . . . 74.230000000000004 112.491 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 599' ' ' ARG . . . . . 0.651 ' O ' HG23 ' A' ' 603' ' ' VAL . 56.2 mtt85 -127.88 69.63 1.33 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.853 0.358 . . . . 64.230000000000004 110.827 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 600' ' ' TRP . . . . . 0.508 ' HB3' HD21 ' A' ' 619' ' ' LEU . 12.8 m0 -59.89 -50.34 74.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 71.530000000000001 110.875 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 601' ' ' ARG . . . . . . . . . . . . . 30.1 mtm180 -52.46 -47.87 66.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.426 . . . . 65.439999999999998 110.85 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 602' ' ' ASP . . . . . 0.7 ' HB3' HD22 ' A' ' 595' ' ' LEU . 1.7 m-20 -65.31 -37.11 86.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 73.109999999999999 110.892 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 603' ' ' VAL . . . . . 0.686 HG11 HD13 ' A' ' 619' ' ' LEU . 53.8 t -65.15 -31.96 56.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 63.140000000000001 111.179 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 604' ' ' LYS . . . . . 0.5 ' HG3' HD23 ' A' ' 619' ' ' LEU . 5.9 mtmt -68.4 -49.51 59.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 71.430000000000007 110.856 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 605' ' ' MET . . . . . . . . . . . . . 22.7 mmm -73.5 -31.52 63.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 64.239999999999995 110.898 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 606' ' ' ARG . . . . . 0.659 ' CB ' HD11 ' A' ' 595' ' ' LEU . 18.9 tpp180 -73.07 -40.96 64.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 53.399999999999999 110.853 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 607' ' ' ALA . . . . . 0.592 ' HA ' ' HB1' ' A' ' 587' ' ' ALA . . . -90.74 -70.13 0.69 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 54.539999999999999 111.061 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 608' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 74.239999999999995 110.892 -179.94 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 616' ' ' TYR . . . . . . . . . . . . . 11.6 p90 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.973 0.416 . . . . 72.530000000000001 110.961 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 617' ' ' VAL . . . . . . . . . . . . . 14.3 p -71.25 -33.15 49.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.108 -0.496 . . . . 54.229999999999997 111.174 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 618' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -52.01 -50.74 60.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.457 . . . . 72.109999999999999 110.817 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 619' ' ' LEU . . . . . 0.686 HD13 HG11 ' A' ' 603' ' ' VAL . 1.2 pp -71.0 -31.16 67.61 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.168 -0.469 . . . . 73.420000000000002 110.927 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 620' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.65 -37.62 88.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 74.049999999999997 110.882 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -71.75 -45.77 60.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 63.539999999999999 110.899 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 43.1 tttt -55.0 -42.62 72.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 65.439999999999998 110.897 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 623' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -73.32 -44.2 59.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.295 -0.411 . . . . 73.400000000000006 110.904 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.51 -45.22 81.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.291 -0.413 . . . . 75.109999999999999 110.942 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 14.5 t -72.31 -28.99 63.43 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.191 -0.459 . . . . 75.430000000000007 111.182 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 626' ' ' LEU . . . . . 0.641 HD13 HG22 ' A' ' 589' ' ' VAL . 0.4 OUTLIER -64.13 -55.5 21.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 72.400000000000006 110.92 179.901 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 627' ' ' VAL . . . . . 0.824 HG23 HD12 ' A' ' 651' ' ' LEU . 4.2 p -59.67 -45.07 94.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 74.230000000000004 111.153 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 628' ' ' HIS . . . . . 0.429 ' N ' HG13 ' A' ' 627' ' ' VAL . 0.3 OUTLIER -61.33 -26.58 67.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 74.010000000000005 110.872 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 629' ' ' THR . . . . . . . . . . . . . 3.0 m -78.5 -29.3 46.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 70.519999999999996 111.132 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 630' ' ' ALA . . . . . 0.751 ' HA ' HD13 ' A' ' 647' ' ' LEU . . . -53.95 -49.59 68.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 54.539999999999999 111.038 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 631' ' ' SER . . . . . 0.748 ' C ' HD12 ' A' ' 632' ' ' ILE . 10.8 t 172.58 69.67 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 71.120000000000005 110.889 -179.806 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 632' ' ' ILE . . . . . 0.748 HD12 ' C ' ' A' ' 631' ' ' SER . 2.0 mp -129.77 -73.28 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 64.450000000000003 111.11 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 633' ' ' ALA . . . . . 0.513 ' N ' HG22 ' A' ' 632' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.325 0 CA-C-O 121.538 0.685 . . . . 74.319999999999993 111.093 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--O 1.231 0.15 0 CA-C-O 120.855 0.273 . . . . 55.119999999999997 112.339 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 642' ' ' VAL . . . . . 0.639 HG21 HD11 ' A' ' 647' ' ' LEU . 2.1 p -126.84 131.2 23.78 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.545 0.688 . . . . 75.340000000000003 111.114 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 643' ' ' PRO . . . . . 0.532 ' HD3' HG12 ' A' ' 582' ' ' VAL . 53.8 Cg_endo -69.79 128.71 16.39 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.649 2.233 . . . . 75.400000000000006 112.34 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -71.0 -19.51 62.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 42.399999999999999 110.87 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -70.12 -38.54 75.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 72.450000000000003 110.816 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 646' ' ' LEU . . . . . 0.468 HD13 HG12 ' A' ' 585' ' ' VAL . 44.5 mt -75.48 -43.44 49.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 62.310000000000002 110.889 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 647' ' ' LEU . . . . . 0.751 HD13 ' HA ' ' A' ' 630' ' ' ALA . 63.4 mt -65.28 -41.49 94.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 74.230000000000004 110.907 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -71.86 -35.18 69.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.22 -0.445 . . . . 71.439999999999998 110.846 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 12.5 mmt85 -72.9 -48.8 34.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 74.530000000000001 110.896 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 650' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -56.98 -33.41 42.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 65.540000000000006 111.136 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 651' ' ' LEU . . . . . 0.824 HD12 HG23 ' A' ' 627' ' ' VAL . 3.6 mp -72.2 -40.69 67.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 73.140000000000001 110.877 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -54.45 -51.59 64.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 73.540000000000006 111.057 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 653' ' ' ALA . . . . . 0.425 ' HB2' ' OE1' ' A' ' 593' ' ' GLU . . . -72.18 -47.09 53.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.275 -0.42 . . . . 44.420000000000002 111.082 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 654' ' ' HIS . . . . . . . . . . . . . 63.6 t60 -53.82 -43.36 69.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 64.239999999999995 110.803 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -77.39 -47.08 20.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 45.539999999999999 111.096 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 71.5 t80 -53.99 -50.3 66.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 72.219999999999999 110.949 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 657' ' ' TRP . . . . . . . . . . . . . 68.3 m95 -71.06 -33.29 70.12 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.104 -0.498 . . . . 73.109999999999999 110.905 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 2.3 t -56.91 -32.56 66.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 64.340000000000003 110.888 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 659' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 75.510000000000005 110.878 -179.941 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 581' ' ' SER . . . . . 0.554 ' O ' HG23 ' A' ' 585' ' ' VAL . 1.5 m . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.866 0.365 . . . . 63.229999999999997 110.943 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 582' ' ' VAL . . . . . 0.454 HG12 ' OE1' ' A' ' 586' ' ' GLU . 93.2 t -53.08 -39.14 31.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 75.319999999999993 111.159 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -69.42 -47.11 65.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.12 -0.491 . . . . 71.209999999999994 111.07 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 584' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -60.39 -54.89 40.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.453 . . . . 73.109999999999999 110.877 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 585' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 581' ' ' SER . 21.5 t -58.05 -34.2 48.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 53.32 111.171 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 586' ' ' GLU . . . . . 0.591 ' HG3' HD11 ' A' ' 646' ' ' LEU . 2.4 mt-10 -61.16 -51.51 68.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 62.530000000000001 110.899 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 587' ' ' ALA . . . . . . . . . . . . . . . -65.16 -29.5 70.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.48 . . . . 71.439999999999998 111.083 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 588' ' ' LEU . . . . . 0.642 HD21 ' HA ' ' A' ' 619' ' ' LEU . 0.2 OUTLIER -68.06 -55.07 13.86 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.234 -0.439 . . . . 74.25 110.898 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 589' ' ' VAL . . . . . 0.515 HG12 ' O ' ' A' ' 585' ' ' VAL . 7.4 p -69.01 -44.18 81.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 75.299999999999997 111.166 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 590' ' ' GLU . . . . . 0.454 ' N ' HG13 ' A' ' 589' ' ' VAL . 59.3 mt-10 -51.36 -48.04 62.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.455 . . . . 71.420000000000002 110.934 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 591' ' ' ALA . . . . . 0.495 ' HB3' HG13 ' A' ' 603' ' ' VAL . . . -67.89 -35.92 79.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.089 -0.505 . . . . 75.540000000000006 111.079 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 592' ' ' VAL . . . . . . . . . . . . . 15.3 t -69.88 -27.23 32.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 75.400000000000006 111.151 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 593' ' ' GLU . . . . . 0.476 ' OE2' ' HB2' ' A' ' 653' ' ' ALA . 1.0 OUTLIER -74.54 -36.45 63.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 64.430000000000007 110.877 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -85.91 -48.04 9.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 74.409999999999997 110.816 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 595' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -80.11 -24.4 40.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.261 -0.427 . . . . 62.240000000000002 110.897 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 596' ' ' GLY . . . . . . . . . . . . . . . 86.22 -171.41 44.16 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.652 -0.785 . . . . 64.010000000000005 112.397 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 5.4 p -98.77 32.47 2.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.801 0.334 . . . . 42.329999999999998 111.172 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 598' ' ' GLY . . . . . . . . . . . . . . . -134.27 4.19 4.48 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.696 -0.764 . . . . 55.43 112.531 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 599' ' ' ARG . . . . . 0.651 ' O ' HG23 ' A' ' 603' ' ' VAL . 42.1 mtt85 -133.84 84.29 2.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.856 0.36 . . . . 71.109999999999999 110.864 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 600' ' ' TRP . . . . . 0.563 ' HB3' HD11 ' A' ' 619' ' ' LEU . 9.7 m0 -69.62 -50.84 40.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 75.239999999999995 110.979 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 601' ' ' ARG . . . . . . . . . . . . . 24.3 ptt180 -53.4 -47.68 69.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 75.340000000000003 110.873 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 602' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -60.98 -39.5 89.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.293 -0.412 . . . . 73.340000000000003 110.882 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 603' ' ' VAL . . . . . 0.651 HG23 ' O ' ' A' ' 599' ' ' ARG . 32.9 t -59.1 -33.23 49.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 44.439999999999998 111.092 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 14.0 tptp -69.44 -45.35 69.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 62.240000000000002 110.977 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 605' ' ' MET . . . . . . . . . . . . . 29.3 mtt -72.38 -31.52 65.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 63.43 110.827 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 606' ' ' ARG . . . . . . . . . . . . . 17.7 tpp180 -78.23 -40.47 37.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.202 -0.454 . . . . 75.109999999999999 110.859 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -80.34 -70.49 0.52 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 52.43 111.076 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 608' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 72.329999999999998 110.914 -179.914 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 616' ' ' TYR . . . . . . . . . . . . . 10.4 p90 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.962 0.41 . . . . 75.450000000000003 110.936 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 617' ' ' VAL . . . . . . . . . . . . . 10.1 p -70.84 -33.79 53.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 74.010000000000005 111.185 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 618' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.14 -51.87 67.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 74.310000000000002 110.816 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 619' ' ' LEU . . . . . 0.642 ' HA ' HD21 ' A' ' 588' ' ' LEU . 1.8 pp -74.7 -27.73 60.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.256 -0.429 . . . . 51.539999999999999 110.943 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 620' ' ' LYS . . . . . . . . . . . . . 21.3 ttpp -70.07 -35.95 74.59 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.205 -0.452 . . . . 73.409999999999997 110.854 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -71.5 -47.05 57.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 71.540000000000006 110.881 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.59 -30.37 71.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 73.5 110.904 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 623' ' ' TRP . . . . . . . . . . . . . 1.5 t90 -71.36 -55.03 8.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 71.349999999999994 110.969 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 4.7 tmtt? -50.62 -49.06 57.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 62.210000000000001 110.89 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 11.3 t -64.42 -30.96 71.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 61.350000000000001 111.08 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 626' ' ' LEU . . . . . 0.489 HD11 ' CG1' ' A' ' 585' ' ' VAL . 0.5 OUTLIER -62.85 -53.81 48.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.264 -0.425 . . . . 75.530000000000001 110.965 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 627' ' ' VAL . . . . . 0.573 ' O ' HD13 ' A' ' 632' ' ' ILE . 76.9 t -55.51 -53.95 30.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.102 -0.499 . . . . 75.409999999999997 111.133 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 628' ' ' HIS . . . . . 0.536 ' HA ' HD13 ' A' ' 632' ' ' ILE . 10.6 m80 -52.4 -35.77 52.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.168 -0.469 . . . . 74.319999999999993 110.868 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 629' ' ' THR . . . . . . . . . . . . . 26.4 m -67.66 -29.98 69.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 74.319999999999993 111.151 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 630' ' ' ALA . . . . . 0.668 ' HA ' HD13 ' A' ' 647' ' ' LEU . . . -53.69 -48.9 69.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 62.030000000000001 111.052 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 631' ' ' SER . . . . . 0.683 ' C ' HD12 ' A' ' 632' ' ' ILE . 1.1 p 168.66 67.27 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.244 -0.435 . . . . 72.030000000000001 110.893 -179.735 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 632' ' ' ILE . . . . . 0.683 HD12 ' C ' ' A' ' 631' ' ' SER . 2.3 mp -125.24 -77.04 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 64.430000000000007 111.133 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 633' ' ' ALA . . . . . 0.497 ' N ' HG22 ' A' ' 632' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-O 121.582 0.706 . . . . 62.210000000000001 111.073 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 N--CA 1.465 -0.158 0 CA-C-O 120.831 0.263 . . . . 73.200000000000003 112.368 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 642' ' ' VAL . . . . . . . . . . . . . 11.8 t -108.39 133.23 20.65 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.54 0.685 . . . . 72.129999999999995 111.165 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 128.7 16.41 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.696 2.264 . . . . 43.119999999999997 112.369 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -63.14 -19.7 64.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.25 -0.432 . . . . 50.350000000000001 110.874 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -62.78 -44.43 96.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 55.020000000000003 110.878 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 646' ' ' LEU . . . . . 0.591 HD11 ' HG3' ' A' ' 586' ' ' GLU . 43.7 mt -75.21 -44.89 43.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 75.430000000000007 110.937 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 647' ' ' LEU . . . . . 0.668 HD13 ' HA ' ' A' ' 630' ' ' ALA . 45.2 mt -62.13 -38.13 87.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 71.439999999999998 110.922 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -73.25 -30.77 63.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 73.430000000000007 110.863 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 14.1 mtt180 -73.64 -48.97 28.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 72.010000000000005 110.904 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 650' ' ' VAL . . . . . . . . . . . . . 1.4 p -61.5 -33.07 55.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 72.239999999999995 111.131 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 651' ' ' LEU . . . . . 0.531 ' CD1' ' HB1' ' A' ' 630' ' ' ALA . 15.4 mt -71.16 -39.74 71.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 72.209999999999994 110.898 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -68.52 -42.62 78.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 53.43 111.082 179.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 653' ' ' ALA . . . . . 0.476 ' HB2' ' OE2' ' A' ' 593' ' ' GLU . . . -71.61 -49.57 38.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.255 -0.429 . . . . 32.219999999999999 111.148 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 654' ' ' HIS . . . . . . . . . . . . . 17.3 t-80 -55.42 -45.19 76.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.283 -0.417 . . . . 75.129999999999995 110.828 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -71.25 -46.87 60.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.431 . . . . 43.340000000000003 111.065 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 75.6 t80 -56.46 -49.29 75.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 74.109999999999999 110.994 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 657' ' ' TRP . . . . . . . . . . . . . 68.0 m95 -70.15 -35.94 74.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.113 -0.494 . . . . 75.319999999999993 110.965 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 12.4 t -54.05 -37.12 63.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 70.319999999999993 110.841 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 659' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.076 -0.511 . . . . 65.409999999999997 110.876 -179.962 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 581' ' ' SER . . . . . 0.429 ' O ' HG23 ' A' ' 585' ' ' VAL . 74.1 m . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.936 0.398 . . . . 71.540000000000006 110.818 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 582' ' ' VAL . . . . . . . . . . . . . 29.3 m -53.41 -34.31 22.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 75.319999999999993 111.116 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -64.0 -46.11 86.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 73.329999999999998 111.106 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 584' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -71.22 -47.97 54.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.177 -0.465 . . . . 73.420000000000002 110.872 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 585' ' ' VAL . . . . . 0.439 ' CG1' HD11 ' A' ' 626' ' ' LEU . 98.4 t -54.52 -34.71 29.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 71.239999999999995 111.155 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -53.25 -48.73 67.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 72.120000000000005 110.872 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 587' ' ' ALA . . . . . 0.76 ' HB1' ' HA ' ' A' ' 607' ' ' ALA . . . -58.78 -43.54 90.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 64.340000000000003 111.102 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 588' ' ' LEU . . . . . 0.569 ' O ' HD13 ' A' ' 588' ' ' LEU . 2.1 tm? -55.53 -46.83 77.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 73.439999999999998 110.917 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 589' ' ' VAL . . . . . 0.444 ' HA ' HG12 ' A' ' 592' ' ' VAL . 29.0 t -71.64 -55.87 12.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 72.310000000000002 111.119 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -53.0 -30.53 35.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 73.409999999999997 110.861 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 591' ' ' ALA . . . . . 0.473 ' HB2' ' HG3' ' A' ' 606' ' ' ARG . . . -76.11 -48.78 19.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.131 -0.486 . . . . 44.100000000000001 111.116 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 592' ' ' VAL . . . . . 0.735 HG11 ' CE3' ' A' ' 623' ' ' TRP . 9.3 p -74.13 -22.26 18.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 72.319999999999993 111.149 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -72.33 -42.76 65.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 72.409999999999997 110.883 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 4.7 t-80 -82.54 -44.78 15.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 70.310000000000002 110.828 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 595' ' ' LEU . . . . . 0.482 HD13 ' HB3' ' A' ' 602' ' ' ASP . 8.3 mt -79.85 -18.05 51.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 75.140000000000001 110.927 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 596' ' ' GLY . . . . . . . . . . . . . . . 85.42 -179.77 50.55 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.819 -0.705 . . . . 62.539999999999999 112.509 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 2.6 p -92.72 27.9 2.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.844 0.354 . . . . 73.239999999999995 111.129 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 598' ' ' GLY . . . . . . . . . . . . . . . -126.21 -5.43 6.16 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.777 -0.725 . . . . 54.43 112.499 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 599' ' ' ARG . . . . . 0.685 ' O ' HG23 ' A' ' 603' ' ' VAL . 0.0 OUTLIER -123.33 79.78 1.71 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.762 0.315 . . . . 53.539999999999999 110.889 -179.815 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 600' ' ' TRP . . . . . 0.635 ' HB3' HD11 ' A' ' 619' ' ' LEU . 5.0 m0 -69.68 -43.04 73.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.243 -0.435 . . . . 75.109999999999999 110.884 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 601' ' ' ARG . . . . . . . . . . . . . 18.6 ttm180 -52.76 -49.09 66.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.274 -0.421 . . . . 71.409999999999997 110.914 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 602' ' ' ASP . . . . . 0.482 ' HB3' HD13 ' A' ' 595' ' ' LEU . 7.8 m-20 -66.78 -31.51 72.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 72.109999999999999 110.847 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 603' ' ' VAL . . . . . 0.685 HG23 ' O ' ' A' ' 599' ' ' ARG . 40.2 t -65.85 -35.79 75.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 72.409999999999997 111.078 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 16.8 tptp -69.07 -46.33 68.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 70.200000000000003 110.911 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 605' ' ' MET . . . . . . . . . . . . . 11.8 mmm -72.48 -31.46 65.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 73.340000000000003 110.932 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 606' ' ' ARG . . . . . 0.473 ' HG3' ' HB2' ' A' ' 591' ' ' ALA . 18.5 tpp180 -77.09 -40.34 46.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 72.120000000000005 110.825 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 607' ' ' ALA . . . . . 0.76 ' HA ' ' HB1' ' A' ' 587' ' ' ALA . . . -80.81 -66.86 0.83 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.286 -0.415 . . . . 62.119999999999997 111.125 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 608' ' ' PHE . . . . . . . . . . . . . 69.2 m-85 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 74.140000000000001 110.909 179.957 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 616' ' ' TYR . . . . . . . . . . . . . 15.7 p90 . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.945 0.402 . . . . 74.129999999999995 110.92 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 617' ' ' VAL . . . . . . . . . . . . . 10.5 p -69.01 -33.38 58.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.082 -0.508 . . . . 50.210000000000001 111.138 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 618' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.07 -51.18 67.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 74.510000000000005 110.835 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 619' ' ' LEU . . . . . 0.635 HD11 ' HB3' ' A' ' 600' ' ' TRP . 3.6 pp -73.07 -37.87 66.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 75.519999999999996 110.933 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 620' ' ' LYS . . . . . 0.513 ' N ' HD12 ' A' ' 619' ' ' LEU . 0.6 OUTLIER -66.63 -33.6 76.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 60.43 110.894 179.832 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -68.35 -49.3 61.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 74.230000000000004 110.842 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.63 -43.97 80.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 72.530000000000001 110.835 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 623' ' ' TRP . . . . . 0.735 ' CE3' HG11 ' A' ' 592' ' ' VAL . 14.6 t-105 -64.34 -45.18 88.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 71.409999999999997 110.903 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -49.33 -51.49 34.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 73.200000000000003 110.896 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 11.2 t -72.22 -27.32 62.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.246 -0.434 . . . . 70.439999999999998 111.191 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 626' ' ' LEU . . . . . 0.752 HD22 HG21 ' A' ' 650' ' ' VAL . 0.4 OUTLIER -63.05 -55.58 24.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 74.230000000000004 110.925 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 627' ' ' VAL . . . . . 0.648 ' O ' HD13 ' A' ' 632' ' ' ILE . 4.1 p -59.92 -44.7 95.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 70.439999999999998 111.103 179.804 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 628' ' ' HIS . . . . . 0.426 ' N ' HG13 ' A' ' 627' ' ' VAL . 3.3 m170 -60.19 -26.84 66.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 54.520000000000003 110.851 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 629' ' ' THR . . . . . . . . . . . . . 17.4 m -77.46 -29.45 52.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.173 -0.467 . . . . 75.099999999999994 111.206 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 630' ' ' ALA . . . . . 0.591 ' HA ' HD13 ' A' ' 647' ' ' LEU . . . -53.13 -48.27 68.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 64.340000000000003 111.075 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 631' ' ' SER . . . . . 0.732 ' C ' HD12 ' A' ' 632' ' ' ILE . 0.4 OUTLIER 172.66 67.66 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 52.43 110.858 -179.799 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 632' ' ' ILE . . . . . 0.732 HD12 ' C ' ' A' ' 631' ' ' SER . 2.3 mp -130.75 -73.7 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 71.329999999999998 111.106 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 633' ' ' ALA . . . . . 0.479 ' N ' HG22 ' A' ' 632' ' ' ILE . . . . . . . . 0 C--N 1.328 -0.351 0 CA-C-O 121.546 0.688 . . . . 55.399999999999999 111.135 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.231 0.17 0 CA-C-O 120.857 0.274 . . . . 71.140000000000001 112.319 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 642' ' ' VAL . . . . . 0.648 HG21 HD11 ' A' ' 647' ' ' LEU . 12.1 m -95.43 139.19 21.87 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.571 0.701 . . . . 70.530000000000001 111.115 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 128.78 16.59 Favored 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.713 2.275 . . . . 55.530000000000001 112.428 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -62.18 -18.57 61.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 61.439999999999998 110.868 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -65.58 -42.48 91.7 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.22 -0.446 . . . . 64.129999999999995 110.904 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 646' ' ' LEU . . . . . 0.652 ' O ' HG23 ' A' ' 650' ' ' VAL . 38.6 mt -74.31 -48.82 25.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 73.209999999999994 110.835 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 647' ' ' LEU . . . . . 0.648 HD11 HG21 ' A' ' 642' ' ' VAL . 55.9 mt -54.09 -41.31 68.11 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.219 -0.446 . . . . 52.229999999999997 110.967 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -64.55 -49.64 70.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 70.299999999999997 110.821 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 649' ' ' ARG . . . . . 0.421 ' O ' ' HB3' ' A' ' 652' ' ' ALA . 3.4 mmm180 -62.55 -39.77 94.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 72.310000000000002 110.863 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 650' ' ' VAL . . . . . 0.752 HG21 HD22 ' A' ' 626' ' ' LEU . 75.2 t -58.78 -51.37 72.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 63.229999999999997 111.106 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 651' ' ' LEU . . . . . 0.541 HD23 HG23 ' A' ' 627' ' ' VAL . 14.4 mt -61.37 -25.35 67.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 64.530000000000001 110.895 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 652' ' ' ALA . . . . . 0.421 ' HB3' ' O ' ' A' ' 649' ' ' ARG . . . -64.99 -51.76 59.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 72.530000000000001 111.092 179.796 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 653' ' ' ALA . . . . . 0.476 ' HB3' ' CH2' ' A' ' 623' ' ' TRP . . . -72.07 -44.54 63.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 63.450000000000003 111.091 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 654' ' ' HIS . . . . . 0.547 ' CG ' HG21 ' A' ' 627' ' ' VAL . 13.7 t-80 -54.12 -44.69 71.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.311 -0.404 . . . . 63.210000000000001 110.879 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -77.51 -47.11 20.4 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.155 -0.475 . . . . 60.020000000000003 111.069 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -54.03 -50.38 66.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 74.430000000000007 110.883 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 657' ' ' TRP . . . . . . . . . . . . . 69.2 m95 -71.05 -32.75 69.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.165 -0.471 . . . . 65.230000000000004 110.919 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 2.4 t -56.57 -35.26 67.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.271 -0.422 . . . . 75.310000000000002 110.873 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 659' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 72.299999999999997 110.904 -179.935 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 41.2 m . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.863 0.363 . . . . 64.239999999999995 110.878 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 582' ' ' VAL . . . . . . . . . . . . . 14.0 m -51.77 -37.57 20.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 73.310000000000002 111.141 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -69.03 -43.68 74.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 62.439999999999998 111.088 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 584' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -65.82 -55.24 18.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 74.109999999999999 110.843 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 585' ' ' VAL . . . . . 0.628 HG22 ' HE3' ' A' ' 622' ' ' LYS . 80.6 t -54.68 -34.03 28.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.475 . . . . 72.439999999999998 111.149 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 586' ' ' GLU . . . . . 0.525 ' HG2' HD21 ' A' ' 646' ' ' LEU . 34.0 mt-10 -56.3 -38.93 71.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 72.510000000000005 110.889 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 587' ' ' ALA . . . . . . . . . . . . . . . -68.16 -34.12 75.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.108 -0.496 . . . . 61.420000000000002 111.054 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 588' ' ' LEU . . . . . 0.445 HD13 ' C ' ' A' ' 588' ' ' LEU . 2.2 tm? -68.68 -55.0 12.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 74.340000000000003 110.832 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 589' ' ' VAL . . . . . 1.016 HG11 HD22 ' A' ' 646' ' ' LEU . 4.2 p -62.71 -48.27 88.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 55.119999999999997 111.141 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 590' ' ' GLU . . . . . 0.495 ' N ' HG13 ' A' ' 589' ' ' VAL . 63.0 mt-10 -58.66 -30.27 67.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 45.530000000000001 110.896 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -73.87 -43.91 57.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 75.140000000000001 111.037 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 592' ' ' VAL . . . . . 0.43 HG12 ' HA ' ' A' ' 589' ' ' VAL . 7.2 p -75.94 -25.85 17.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 74.019999999999996 111.097 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.32 -41.96 65.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 75.349999999999994 110.898 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 64.4 t-80 -84.54 -46.63 11.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 75.099999999999994 110.898 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 595' ' ' LEU . . . . . 0.659 HD22 ' HB3' ' A' ' 602' ' ' ASP . 9.6 mt -79.49 -15.97 56.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 74.349999999999994 110.909 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 596' ' ' GLY . . . . . . . . . . . . . . . 79.15 165.31 29.45 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.772 -0.728 . . . . 73.430000000000007 112.452 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 16.9 p -72.94 -7.0 49.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.824 0.345 . . . . 74.349999999999994 111.086 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 598' ' ' GLY . . . . . . . . . . . . . . . -98.62 18.18 57.3 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.748 -0.739 . . . . 64.530000000000001 112.449 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 599' ' ' ARG . . . . . 0.657 ' O ' HG23 ' A' ' 603' ' ' VAL . 38.5 mtt85 -137.87 64.76 1.5 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.801 0.334 . . . . 75.400000000000006 110.873 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 600' ' ' TRP . . . . . . . . . . . . . 21.4 m0 -59.85 -50.77 72.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.163 -0.471 . . . . 65.230000000000004 110.891 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 601' ' ' ARG . . . . . . . . . . . . . 15.4 ptt180 -53.29 -46.74 69.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 64.510000000000005 110.849 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 602' ' ' ASP . . . . . 0.659 ' HB3' HD22 ' A' ' 595' ' ' LEU . 2.2 m-20 -63.25 -34.53 77.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 73.200000000000003 110.871 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 603' ' ' VAL . . . . . 0.766 HG11 HD13 ' A' ' 619' ' ' LEU . 66.9 t -65.34 -31.94 56.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 74.5 111.153 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.92 -49.33 59.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 75.510000000000005 110.865 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 605' ' ' MET . . . . . . . . . . . . . 19.0 ptp -73.32 -31.31 63.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.275 -0.421 . . . . 74.439999999999998 110.854 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 606' ' ' ARG . . . . . 0.657 ' CB ' HD11 ' A' ' 595' ' ' LEU . 18.7 tpp85 -71.82 -41.01 68.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 75.340000000000003 110.878 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -92.02 -69.91 0.72 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 54.130000000000003 111.106 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 608' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 75.420000000000002 110.869 -179.949 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 616' ' ' TYR . . . . . . . . . . . . . 14.0 p90 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.92 0.391 . . . . 72.349999999999994 110.926 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 617' ' ' VAL . . . . . . . . . . . . . 12.7 p -51.35 -32.88 13.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 55.229999999999997 111.149 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 618' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.16 -50.93 71.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 64.120000000000005 110.842 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 619' ' ' LEU . . . . . 0.766 HD13 HG11 ' A' ' 603' ' ' VAL . 0.9 OUTLIER -75.15 -28.67 60.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.16 -0.473 . . . . 61.020000000000003 110.884 -179.91 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 620' ' ' LYS . . . . . . . . . . . . . 3.7 ttpm? -70.6 -35.39 72.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.247 -0.433 . . . . 70.400000000000006 110.865 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -71.86 -48.81 43.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 74.439999999999998 110.82 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 622' ' ' LYS . . . . . 0.628 ' HE3' HG22 ' A' ' 585' ' ' VAL . 1.0 OUTLIER -55.14 -44.03 74.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 45.130000000000003 110.865 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 623' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -67.88 -47.59 68.45 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.275 -0.42 . . . . 74.430000000000007 110.905 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 6.6 tttp -56.34 -55.28 35.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 73.340000000000003 110.889 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 12.8 t -60.73 -30.9 70.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 71.409999999999997 111.168 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 626' ' ' LEU . . . . . 0.523 HD11 HG13 ' A' ' 585' ' ' VAL . 3.4 mt -65.0 -47.28 78.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 74.200000000000003 110.952 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 627' ' ' VAL . . . . . 0.69 ' O ' HD13 ' A' ' 632' ' ' ILE . 87.7 t -58.63 -55.06 25.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.244 -0.434 . . . . 55.130000000000003 111.15 179.803 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 628' ' ' HIS . . . . . 0.423 ' HA ' ' HB ' ' A' ' 632' ' ' ILE . 23.4 m80 -52.81 -33.91 51.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 70.129999999999995 110.844 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 629' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -79.31 -28.81 42.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 71.340000000000003 111.225 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 630' ' ' ALA . . . . . 0.645 ' HA ' HD13 ' A' ' 647' ' ' LEU . . . -51.81 -49.66 62.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 73.409999999999997 111.052 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 631' ' ' SER . . . . . 0.732 ' C ' HD12 ' A' ' 632' ' ' ILE . 13.1 t 173.66 67.12 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 32.43 110.881 -179.816 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 632' ' ' ILE . . . . . 0.732 HD12 ' C ' ' A' ' 631' ' ' SER . 2.7 mp -135.35 -74.39 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.063 -0.517 . . . . 70.109999999999999 111.127 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 633' ' ' ALA . . . . . 0.471 ' N ' HG22 ' A' ' 632' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 121.558 0.694 . . . . 41.530000000000001 111.126 179.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.138 0 CA-C-O 120.804 0.252 . . . . 71.439999999999998 112.419 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 642' ' ' VAL . . . . . 0.81 HG21 HD11 ' A' ' 647' ' ' LEU . 4.5 m -114.45 139.66 24.19 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.508 0.67 . . . . 73.129999999999995 111.191 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 128.5 16.11 Favored 'Trans proline' 0 C--N 1.34 0.131 0 C-N-CA 122.694 2.263 . . . . 75.109999999999999 112.31 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -66.4 -17.93 65.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.443 . . . . 74.200000000000003 110.863 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -69.02 -40.18 78.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 72.420000000000002 110.857 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 646' ' ' LEU . . . . . 1.016 HD22 HG11 ' A' ' 589' ' ' VAL . 44.0 mt -73.44 -53.84 9.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 75.120000000000005 110.923 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 647' ' ' LEU . . . . . 0.81 HD11 HG21 ' A' ' 642' ' ' VAL . 40.9 mt -53.2 -32.59 48.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.249 -0.432 . . . . 73.310000000000002 110.865 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -69.95 -46.75 64.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 63.310000000000002 110.894 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 20.2 mmt180 -65.82 -40.67 92.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 63.5 110.839 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 650' ' ' VAL . . . . . 0.652 ' CG1' HG22 ' A' ' 627' ' ' VAL . 70.0 t -57.56 -48.24 83.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 71.299999999999997 111.126 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 651' ' ' LEU . . . . . 0.439 HD11 ' HB3' ' A' ' 631' ' ' SER . 22.0 mt -65.74 -28.75 69.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 72.129999999999995 110.93 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -67.59 -48.8 65.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 40.409999999999997 111.106 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -73.25 -44.83 58.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.261 -0.427 . . . . 60.43 111.068 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 654' ' ' HIS . . . . . . . . . . . . . 62.6 t60 -53.08 -47.6 68.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.258 -0.428 . . . . 73.420000000000002 110.856 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -70.17 -45.24 67.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 53.229999999999997 111.125 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 72.5 t80 -55.7 -50.07 71.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 65.319999999999993 110.878 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 657' ' ' TRP . . . . . . . . . . . . . 58.5 m95 -70.24 -37.19 74.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.071 -0.513 . . . . 75.049999999999997 110.924 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 2.8 t -56.05 -32.46 64.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 71.450000000000003 110.843 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 659' ' ' GLN . . . . . . . . . . . . . 40.7 tt0 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 72.329999999999998 110.973 179.989 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 581' ' ' SER . . . . . 0.752 ' O ' HG12 ' A' ' 585' ' ' VAL . 14.8 m . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.889 0.376 . . . . 73.219999999999999 110.878 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 582' ' ' VAL . . . . . 0.617 HG13 ' HG3' ' A' ' 643' ' ' PRO . 87.9 t -51.5 -38.92 21.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.12 -0.491 . . . . 73.540000000000006 111.065 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -72.06 -32.6 67.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 74.519999999999996 111.108 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 584' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -75.28 -56.39 4.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 72.519999999999996 110.922 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 585' ' ' VAL . . . . . 0.752 HG12 ' O ' ' A' ' 581' ' ' SER . 2.3 p -54.16 -32.85 23.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 71.430000000000007 111.138 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -50.08 -30.45 10.97 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.189 -0.46 . . . . 64.420000000000002 110.848 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 587' ' ' ALA . . . . . 0.47 ' HB1' ' HA ' ' A' ' 607' ' ' ALA . . . -75.54 -40.52 56.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 64.510000000000005 111.099 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 588' ' ' LEU . . . . . 0.488 ' O ' HG23 ' A' ' 592' ' ' VAL . 2.3 tm? -53.3 -54.78 31.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.278 -0.419 . . . . 72.230000000000004 110.959 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 589' ' ' VAL . . . . . 0.491 HG23 ' CZ3' ' A' ' 623' ' ' TRP . 7.6 p -67.48 -44.11 86.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.172 -0.467 . . . . 62.329999999999998 111.119 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 590' ' ' GLU . . . . . 0.451 ' N ' HG13 ' A' ' 589' ' ' VAL . 6.2 mm-40 -53.77 -47.2 70.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 62.530000000000001 110.881 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 591' ' ' ALA . . . . . 0.623 ' HB3' HG13 ' A' ' 603' ' ' VAL . . . -66.24 -35.87 81.55 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.183 -0.462 . . . . 60.130000000000003 111.126 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 592' ' ' VAL . . . . . 0.492 HG11 ' CE3' ' A' ' 623' ' ' TRP . 65.1 t -74.32 -24.84 19.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 74.209999999999994 111.092 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -72.6 -41.28 65.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 71.209999999999994 110.954 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 14.7 t-160 -86.79 -46.16 10.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 64.340000000000003 110.896 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 595' ' ' LEU . . . . . 0.535 HD13 ' HB2' ' A' ' 602' ' ' ASP . 23.7 mt -78.67 -23.8 45.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.433 . . . . 64.430000000000007 110.976 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 596' ' ' GLY . . . . . . . . . . . . . . . 83.38 -174.67 52.25 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.782 -0.723 . . . . 61.140000000000001 112.468 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 71.5 p -93.7 28.77 2.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.852 0.358 . . . . 70.219999999999999 111.167 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 598' ' ' GLY . . . . . . . . . . . . . . . -123.94 -9.77 5.56 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.663 -0.779 . . . . 73.120000000000005 112.467 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 599' ' ' ARG . . . . . 0.724 ' O ' HG23 ' A' ' 603' ' ' VAL . 30.6 mtp180 -121.4 78.57 1.44 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.791 0.329 . . . . 73.140000000000001 110.867 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 600' ' ' TRP . . . . . 0.487 ' HB3' HD11 ' A' ' 619' ' ' LEU . 2.8 m0 -67.75 -50.16 58.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.196 -0.456 . . . . 52.149999999999999 110.898 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 601' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -53.41 -44.95 69.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.426 . . . . 63.140000000000001 110.835 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 602' ' ' ASP . . . . . 0.535 ' HB2' HD13 ' A' ' 595' ' ' LEU . 1.8 m-20 -64.47 -34.55 78.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 61.210000000000001 110.919 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 603' ' ' VAL . . . . . 0.724 HG23 ' O ' ' A' ' 599' ' ' ARG . 51.9 t -64.19 -33.74 64.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 74.129999999999995 111.128 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.45 -49.35 55.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.198 -0.456 . . . . 72.129999999999995 110.921 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 605' ' ' MET . . . . . . . . . . . . . 5.1 ptm -70.87 -31.44 68.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 73.510000000000005 110.816 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 606' ' ' ARG . . . . . . . . . . . . . 5.2 ttt-85 -76.58 -40.61 49.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 72.340000000000003 110.838 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 607' ' ' ALA . . . . . 0.47 ' HA ' ' HB1' ' A' ' 587' ' ' ALA . . . -82.37 -66.91 0.83 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.276 -0.42 . . . . 71.340000000000003 111.113 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 608' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 74.420000000000002 110.815 -179.856 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 616' ' ' TYR . . . . . . . . . . . . . 24.5 p90 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.921 0.391 . . . . 75.209999999999994 110.905 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 617' ' ' VAL . . . . . . . . . . . . . 8.5 p -72.02 -33.36 47.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.092 -0.504 . . . . 72.420000000000002 111.104 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 618' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.3 -51.5 63.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 73.099999999999994 110.854 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 619' ' ' LEU . . . . . 0.487 HD11 ' HB3' ' A' ' 600' ' ' TRP . 3.9 pp -70.96 -40.98 71.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 72.319999999999993 110.886 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 620' ' ' LYS . . . . . 0.435 ' N ' HD12 ' A' ' 619' ' ' LEU . 16.2 ttmm -59.86 -54.25 48.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 72.239999999999995 110.894 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -54.76 -41.89 71.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 53.450000000000003 110.907 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.98 -40.67 70.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 72.409999999999997 110.905 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 623' ' ' TRP . . . . . 0.693 ' CZ3' HG23 ' A' ' 650' ' ' VAL . 15.5 t-105 -67.65 -46.48 72.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 74.109999999999999 110.931 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -51.89 -55.1 22.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 70.219999999999999 110.887 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 10.6 t -62.29 -29.04 70.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 72.430000000000007 111.179 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 626' ' ' LEU . . . . . 0.595 ' HB3' HG21 ' A' ' 650' ' ' VAL . 0.4 OUTLIER -64.84 -52.23 57.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.21 -0.45 . . . . 64.200000000000003 110.878 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 627' ' ' VAL . . . . . 0.63 HG22 HG22 ' A' ' 650' ' ' VAL . 91.5 t -60.16 -54.28 37.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 33.009999999999998 111.11 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 628' ' ' HIS . . . . . 0.42 ' HA ' HD13 ' A' ' 632' ' ' ILE . 46.3 m80 -53.39 -27.75 25.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 75.239999999999995 110.9 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 629' ' ' THR . . . . . . . . . . . . . 4.1 m -75.94 -30.8 58.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 53.43 111.1 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 630' ' ' ALA . . . . . 0.657 ' HA ' HD13 ' A' ' 647' ' ' LEU . . . -53.52 -49.07 68.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 63.009999999999998 111.111 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 631' ' ' SER . . . . . 0.593 ' C ' HD12 ' A' ' 632' ' ' ILE . 0.4 OUTLIER 167.79 68.54 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 51.350000000000001 110.862 -179.833 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 632' ' ' ILE . . . . . 0.6 HD13 ' O ' ' A' ' 627' ' ' VAL . 1.8 mp -118.56 -74.03 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.486 . . . . 74.019999999999996 111.106 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 633' ' ' ALA . . . . . 0.562 ' N ' HG22 ' A' ' 632' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-O 121.622 0.725 . . . . 45.130000000000003 111.074 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo . . . . . 0 N--CA 1.465 -0.194 0 CA-C-O 120.808 0.253 . . . . 70.409999999999997 112.327 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 642' ' ' VAL . . . . . 0.688 HG21 HD11 ' A' ' 647' ' ' LEU . 1.6 m -133.92 140.93 37.91 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.666 0.746 . . . . 71.340000000000003 111.108 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 643' ' ' PRO . . . . . 0.617 ' HG3' HG13 ' A' ' 582' ' ' VAL . 53.9 Cg_endo -69.77 127.27 14.34 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.686 2.257 . . . . 73.120000000000005 112.312 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 28.4 tp60 -73.27 -23.06 60.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 74.219999999999999 110.923 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -71.03 -35.48 72.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 64.319999999999993 110.835 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 646' ' ' LEU . . . . . 0.42 HD12 ' CG ' ' A' ' 643' ' ' PRO . 17.9 mt -75.48 -47.21 28.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 71.299999999999997 110.886 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 647' ' ' LEU . . . . . 0.688 HD11 HG21 ' A' ' 642' ' ' VAL . 39.1 mt -61.35 -35.14 76.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 73.400000000000006 110.864 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.36 -43.79 55.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 74.340000000000003 110.88 179.774 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 6.2 mmm180 -66.96 -49.46 65.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.167 -0.469 . . . . 71.450000000000003 110.854 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 650' ' ' VAL . . . . . 0.693 HG23 ' CZ3' ' A' ' 623' ' ' TRP . 2.6 p -56.48 -34.51 41.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 63.229999999999997 111.092 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 651' ' ' LEU . . . . . 0.476 HD23 HG13 ' A' ' 627' ' ' VAL . 15.8 mt -72.27 -32.42 66.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.151 -0.477 . . . . 43.340000000000003 110.85 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -63.08 -51.85 64.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 63.210000000000001 111.071 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 653' ' ' ALA . . . . . 0.624 ' HB3' ' HH2' ' A' ' 623' ' ' TRP . . . -68.18 -50.9 51.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 72.140000000000001 111.001 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 654' ' ' HIS . . . . . 0.403 ' CG ' HG11 ' A' ' 627' ' ' VAL . 29.0 t60 -54.68 -34.44 62.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.294 -0.412 . . . . 73.430000000000007 110.811 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -77.81 -46.95 20.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 64.439999999999998 111.128 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 75.0 t80 -60.48 -48.22 82.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 64.25 110.951 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 657' ' ' TRP . . . . . . . . . . . . . 41.0 m95 -67.72 -34.23 76.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.092 -0.504 . . . . 60.130000000000003 110.944 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 3.3 t -60.89 -35.78 77.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 72.299999999999997 110.92 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 659' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 61.340000000000003 110.918 -179.942 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 581' ' ' SER . . . . . 0.617 ' O ' HG23 ' A' ' 585' ' ' VAL . 30.0 m . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.934 0.397 . . . . 64.420000000000002 110.887 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 582' ' ' VAL . . . . . . . . . . . . . 27.1 m -56.66 -33.81 41.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.137 -0.483 . . . . 65.230000000000004 111.13 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -69.16 -43.45 74.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.463 . . . . 70.109999999999999 111.134 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 584' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -71.14 -46.82 60.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 73.120000000000005 110.824 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 585' ' ' VAL . . . . . 0.617 HG23 ' O ' ' A' ' 581' ' ' SER . 95.5 t -54.29 -34.99 28.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 62.119999999999997 111.148 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -52.38 -50.91 61.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 60.020000000000003 110.876 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 587' ' ' ALA . . . . . 0.711 ' HB1' ' HA ' ' A' ' 607' ' ' ALA . . . -58.85 -40.36 84.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.117 -0.492 . . . . 74.230000000000004 111.123 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 588' ' ' LEU . . . . . 0.476 ' O ' HD13 ' A' ' 588' ' ' LEU . 0.2 OUTLIER -55.91 -47.44 77.46 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.197 -0.456 . . . . 54.509999999999998 110.925 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 589' ' ' VAL . . . . . 0.506 HG22 HD13 ' A' ' 626' ' ' LEU . 41.1 t -70.78 -54.08 19.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 75.129999999999995 111.094 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 73.3 mt-10 -51.18 -47.65 62.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.468 . . . . 72.0 110.912 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -61.22 -39.68 91.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 75.340000000000003 111.154 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 592' ' ' VAL . . . . . 0.409 HG23 ' O ' ' A' ' 588' ' ' LEU . 41.5 t -74.02 -25.97 20.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 72.530000000000001 111.096 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -73.85 -39.05 64.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 61.009999999999998 110.895 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -86.33 -47.46 9.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 71.519999999999996 110.813 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 595' ' ' LEU . . . . . 0.527 HD22 ' HB3' ' A' ' 602' ' ' ASP . 17.3 mt -79.45 -23.58 43.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 72.439999999999998 110.855 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 596' ' ' GLY . . . . . . . . . . . . . . . 85.95 -176.1 48.85 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.702 -0.761 . . . . 65.340000000000003 112.476 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 5.9 p -94.83 26.21 3.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.846 0.355 . . . . 73.230000000000004 111.096 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 598' ' ' GLY . . . . . . . . . . . . . . . -125.9 6.06 7.85 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.729 -0.748 . . . . 54.350000000000001 112.502 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 599' ' ' ARG . . . . . 0.629 ' O ' HG23 ' A' ' 603' ' ' VAL . 42.6 mtt180 -133.06 83.71 2.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.826 0.346 . . . . 75.239999999999995 110.875 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 600' ' ' TRP . . . . . . . . . . . . . 10.1 m0 -69.56 -50.51 44.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 73.120000000000005 110.909 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 601' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.49 -47.68 69.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.296 -0.411 . . . . 74.099999999999994 110.843 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 602' ' ' ASP . . . . . 0.527 ' HB3' HD22 ' A' ' 595' ' ' LEU . 1.8 m-20 -60.5 -39.39 87.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 62.420000000000002 110.885 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 603' ' ' VAL . . . . . 0.897 HG11 HD13 ' A' ' 619' ' ' LEU . 40.3 t -61.61 -31.49 50.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 74.319999999999993 111.154 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 13.7 tttp -68.45 -49.65 58.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 75.239999999999995 110.876 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 605' ' ' MET . . . . . . . . . . . . . 17.9 ptm -72.91 -31.31 64.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 51.530000000000001 110.891 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 606' ' ' ARG . . . . . 0.461 ' CB ' HD11 ' A' ' 595' ' ' LEU . 7.3 tpm_? -75.08 -41.1 59.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 64.0 110.902 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 607' ' ' ALA . . . . . 0.711 ' HA ' ' HB1' ' A' ' 587' ' ' ALA . . . -82.27 -60.39 2.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 73.439999999999998 111.115 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 608' ' ' PHE . . . . . . . . . . . . . 49.6 m-85 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.274 -0.421 . . . . 63.100000000000001 110.849 -179.939 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 616' ' ' TYR . . . . . . . . . . . . . 53.4 p90 . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.913 0.387 . . . . 74.409999999999997 110.891 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 617' ' ' VAL . . . . . . . . . . . . . 14.8 p -71.76 -33.04 47.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 70.109999999999999 111.138 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 618' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.04 -50.7 60.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 71.409999999999997 110.875 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 619' ' ' LEU . . . . . 0.897 HD13 HG11 ' A' ' 603' ' ' VAL . 1.3 pp -54.19 -32.9 56.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.191 -0.458 . . . . 72.510000000000005 110.899 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 620' ' ' LYS . . . . . . . . . . . . . 1.5 ttpp -63.01 -54.79 32.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 72.549999999999997 110.862 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -54.76 -30.83 57.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.282 -0.417 . . . . 64.129999999999995 110.916 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 622' ' ' LYS . . . . . 0.484 ' HZ1' HG22 ' A' ' 585' ' ' VAL . 0.1 OUTLIER -67.05 -41.3 86.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 65.140000000000001 110.924 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 623' ' ' TRP . . . . . 0.419 ' CZ2' HG13 ' A' ' 650' ' ' VAL . 35.2 t-105 -67.2 -49.92 62.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.468 . . . . 74.239999999999995 110.936 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -48.3 -55.92 9.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 34.32 110.879 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 10.2 t -62.07 -28.74 69.82 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.22 -0.445 . . . . 74.409999999999997 111.188 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 626' ' ' LEU . . . . . 0.58 HD11 ' CG1' ' A' ' 585' ' ' VAL . 0.5 OUTLIER -65.08 -47.66 76.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 53.020000000000003 110.909 179.952 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 627' ' ' VAL . . . . . 0.582 ' O ' HD13 ' A' ' 632' ' ' ILE . 74.8 t -58.14 -54.95 25.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 64.409999999999997 111.123 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 628' ' ' HIS . . . . . 0.528 ' HA ' HD13 ' A' ' 632' ' ' ILE . 3.6 m80 -53.04 -31.3 40.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 62.450000000000003 110.859 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 629' ' ' THR . . . . . 0.409 ' CG2' HG21 ' A' ' 642' ' ' VAL . 51.7 m -72.42 -29.93 64.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 53.100000000000001 111.123 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 630' ' ' ALA . . . . . 0.612 ' CA ' HD22 ' A' ' 647' ' ' LEU . . . -53.92 -50.19 66.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.424 . . . . 73.439999999999998 111.032 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 631' ' ' SER . . . . . 0.709 ' C ' HD12 ' A' ' 632' ' ' ILE . 11.5 t 172.41 68.09 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.266 -0.425 . . . . 65.129999999999995 110.842 -179.786 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 632' ' ' ILE . . . . . 0.709 HD12 ' C ' ' A' ' 631' ' ' SER . 2.3 mp -127.02 -75.85 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.101 -0.499 . . . . 54.140000000000001 111.059 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 633' ' ' ALA . . . . . 0.468 ' N ' HG22 ' A' ' 632' ' ' ILE . . . . . . . . 0 C--N 1.328 -0.327 0 CA-C-O 121.604 0.716 . . . . 51.140000000000001 111.116 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 N--CA 1.465 -0.161 0 CA-C-O 120.82 0.259 . . . . 74.319999999999993 112.307 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 642' ' ' VAL . . . . . 0.409 HG21 ' CG2' ' A' ' 629' ' ' THR . 3.5 t -92.38 132.42 32.02 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.649 0.738 . . . . 74.319999999999993 111.13 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 128.6 16.29 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.62 2.213 . . . . 72.109999999999999 112.376 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -64.79 -20.24 66.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 74.040000000000006 110.919 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -60.45 -45.44 93.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.136 -0.484 . . . . 60.420000000000002 110.915 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 646' ' ' LEU . . . . . . . . . . . . . 25.6 mt -75.49 -53.28 8.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 72.219999999999999 110.871 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 647' ' ' LEU . . . . . 0.612 HD22 ' CA ' ' A' ' 630' ' ' ALA . 91.9 mt -52.25 -34.7 47.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 71.239999999999995 110.907 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -71.12 -45.94 62.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 74.239999999999995 110.913 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 83.5 mtt180 -65.57 -36.6 84.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.106 -0.497 . . . . 72.420000000000002 110.859 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 650' ' ' VAL . . . . . 0.549 ' CG1' HG22 ' A' ' 627' ' ' VAL . 43.0 t -64.09 -49.85 79.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.491 . . . . 71.0 111.167 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 651' ' ' LEU . . . . . 0.477 HD13 ' CB ' ' A' ' 630' ' ' ALA . 1.0 OUTLIER -62.66 -29.53 70.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.11 -0.495 . . . . 52.329999999999998 110.823 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -64.48 -50.46 67.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.267 -0.424 . . . . 62.409999999999997 111.121 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -75.68 -42.17 51.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 53.219999999999999 111.073 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 654' ' ' HIS . . . . . . . . . . . . . 62.9 t60 -54.54 -46.98 73.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 73.200000000000003 110.873 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -73.11 -46.9 48.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 75.030000000000001 111.112 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -54.25 -50.08 68.03 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.203 -0.453 . . . . 74.019999999999996 110.919 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 657' ' ' TRP . . . . . . . . . . . . . 71.0 m95 -71.05 -36.77 72.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.112 -0.495 . . . . 74.420000000000002 110.942 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 9.5 t -54.11 -31.82 53.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 62.350000000000001 110.855 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 659' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.079 -0.51 . . . . 63.130000000000003 110.958 -179.991 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 581' ' ' SER . . . . . 0.54 ' O ' HG23 ' A' ' 585' ' ' VAL . 1.3 m . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.912 0.387 . . . . 70.209999999999994 110.876 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 582' ' ' VAL . . . . . . . . . . . . . 59.5 t -54.05 -30.77 20.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 64.439999999999998 111.138 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -67.63 -47.47 69.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 70.140000000000001 111.098 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 584' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -71.91 -41.77 67.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 73.349999999999994 110.91 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 585' ' ' VAL . . . . . 0.684 ' O ' HG23 ' A' ' 589' ' ' VAL . 95.2 t -59.89 -35.91 63.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 74.129999999999995 111.179 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 586' ' ' GLU . . . . . 0.563 ' HG3' HD11 ' A' ' 646' ' ' LEU . 35.0 mt-10 -60.45 -48.69 80.67 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.137 -0.483 . . . . 50.450000000000003 110.867 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 587' ' ' ALA . . . . . 0.583 ' HB1' ' HA ' ' A' ' 607' ' ' ALA . . . -60.14 -32.87 71.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 62.229999999999997 111.105 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 588' ' ' LEU . . . . . 0.505 HD13 ' C ' ' A' ' 588' ' ' LEU . 3.3 tm? -70.05 -49.4 51.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 64.120000000000005 110.888 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 589' ' ' VAL . . . . . 0.684 HG23 ' O ' ' A' ' 585' ' ' VAL . 18.4 t -60.85 -57.44 12.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 63.329999999999998 111.122 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -55.77 -30.46 61.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 63.240000000000002 110.917 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -72.76 -45.74 57.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.104 -0.498 . . . . 73.540000000000006 111.102 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 592' ' ' VAL . . . . . 0.428 HG12 ' O ' ' A' ' 589' ' ' VAL . 12.7 p -74.5 -26.2 19.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.455 . . . . 75.510000000000005 111.114 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.35 -41.69 63.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 73.439999999999998 110.945 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 7.7 t-80 -84.97 -47.3 10.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.123 -0.49 . . . . 74.230000000000004 110.864 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 595' ' ' LEU . . . . . 0.577 HD13 ' C ' ' A' ' 602' ' ' ASP . 11.8 mt -79.84 -14.91 58.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.215 -0.448 . . . . 65.409999999999997 110.905 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 596' ' ' GLY . . . . . . . . . . . . . . . 81.16 170.06 42.82 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.806 -0.711 . . . . 65.019999999999996 112.487 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -80.58 0.75 32.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.834 0.349 . . . . 61.439999999999998 111.148 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 598' ' ' GLY . . . . . . . . . . . . . . . -100.16 -14.25 33.97 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.758 -0.734 . . . . 61.130000000000003 112.48 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 599' ' ' ARG . . . . . 0.673 ' O ' HG23 ' A' ' 603' ' ' VAL . 10.7 mtt85 -104.12 70.44 0.98 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.774 0.321 . . . . 61.240000000000002 110.844 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 600' ' ' TRP . . . . . . . . . . . . . 21.8 m0 -62.81 -50.43 71.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.215 -0.448 . . . . 72.140000000000001 110.901 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 601' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -53.73 -47.64 70.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.226 -0.443 . . . . 71.129999999999995 110.879 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 602' ' ' ASP . . . . . 0.577 ' C ' HD13 ' A' ' 595' ' ' LEU . 28.2 m-20 -63.03 -35.73 81.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 61.310000000000002 110.919 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 603' ' ' VAL . . . . . 0.673 HG23 ' O ' ' A' ' 599' ' ' ARG . 52.4 t -65.69 -31.69 54.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.151 -0.477 . . . . 63.049999999999997 111.199 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 1.5 ttpm? -68.19 -49.95 57.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 73.019999999999996 110.868 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 605' ' ' MET . . . . . . . . . . . . . 30.5 mtm -73.19 -30.92 63.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 75.200000000000003 110.915 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 606' ' ' ARG . . . . . 0.569 ' CB ' HD11 ' A' ' 595' ' ' LEU . 7.0 tpm_? -73.71 -41.06 63.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 72.340000000000003 110.869 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 607' ' ' ALA . . . . . 0.583 ' HA ' ' HB1' ' A' ' 587' ' ' ALA . . . -91.02 -70.16 0.7 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.478 . . . . 71.510000000000005 111.073 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 608' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 75.099999999999994 110.905 -179.941 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 616' ' ' TYR . . . . . . . . . . . . . 28.7 p90 . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.983 0.42 . . . . 55.149999999999999 110.945 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 617' ' ' VAL . . . . . . . . . . . . . 11.8 p -72.16 -33.64 47.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.123 -0.489 . . . . 62.210000000000001 111.084 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 618' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.75 -50.77 40.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.277 -0.419 . . . . 75.040000000000006 110.89 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 619' ' ' LEU . . . . . . . . . . . . . 3.1 pp -66.79 -38.23 86.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 74.120000000000005 110.967 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 620' ' ' LYS . . . . . . . . . . . . . 17.7 ttmt -66.46 -44.21 83.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 74.530000000000001 110.958 179.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 52.8 t0 -71.62 -35.06 70.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.16 -0.473 . . . . 60.420000000000002 110.859 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 31.8 mtpt -58.95 -42.62 90.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 62.43 110.921 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 623' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -70.23 -47.71 60.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 74.010000000000005 110.893 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 2.6 tttp -51.67 -46.91 63.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 74.129999999999995 110.874 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 15.1 t -72.43 -28.51 63.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 64.5 111.149 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 626' ' ' LEU . . . . . 0.714 HD22 HG21 ' A' ' 650' ' ' VAL . 0.6 OUTLIER -65.21 -55.22 19.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 73.049999999999997 110.904 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 627' ' ' VAL . . . . . 0.812 HG23 HD12 ' A' ' 651' ' ' LEU . 4.0 p -58.26 -45.11 89.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 71.510000000000005 111.116 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 628' ' ' HIS . . . . . 0.43 ' N ' HG13 ' A' ' 627' ' ' VAL . 0.2 OUTLIER -62.23 -26.69 68.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.187 -0.461 . . . . 73.310000000000002 110.922 179.923 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 629' ' ' THR . . . . . . . . . . . . . 7.5 m -77.17 -29.63 54.56 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.183 -0.462 . . . . 32.32 111.106 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 630' ' ' ALA . . . . . 0.769 ' HA ' HD13 ' A' ' 647' ' ' LEU . . . -53.84 -48.48 69.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.261 -0.427 . . . . 73.349999999999994 111.121 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 631' ' ' SER . . . . . 0.693 ' C ' HD12 ' A' ' 632' ' ' ILE . 0.4 OUTLIER 170.02 68.87 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 73.400000000000006 110.861 -179.824 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 632' ' ' ILE . . . . . 0.693 HD12 ' C ' ' A' ' 631' ' ' SER . 1.8 mp -123.46 -73.35 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.091 -0.504 . . . . 74.340000000000003 111.161 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 633' ' ' ALA . . . . . 0.558 ' N ' HG22 ' A' ' 632' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-O 121.621 0.724 . . . . 42.409999999999997 111.142 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.792 0.247 . . . . 55.329999999999998 112.377 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 642' ' ' VAL . . . . . 0.742 HG21 HD11 ' A' ' 647' ' ' LEU . 1.5 p -134.46 130.96 20.21 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.598 0.713 . . . . 74.420000000000002 111.099 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 643' ' ' PRO . . . . . 0.521 ' CG ' HD12 ' A' ' 646' ' ' LEU . 54.2 Cg_endo -69.79 128.51 16.1 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.691 2.261 . . . . 72.340000000000003 112.343 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -75.97 -22.59 55.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 72.200000000000003 110.932 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 52.0 t0 -70.65 -35.3 72.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 74.530000000000001 110.896 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 646' ' ' LEU . . . . . 0.678 ' O ' HG23 ' A' ' 650' ' ' VAL . 42.6 mt -76.05 -50.26 15.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 53.32 110.911 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 647' ' ' LEU . . . . . 0.769 HD13 ' HA ' ' A' ' 630' ' ' ALA . 50.1 mt -55.46 -43.06 75.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 75.519999999999996 110.942 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -64.47 -47.37 79.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 64.340000000000003 110.845 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 75.1 mtt180 -64.49 -37.5 87.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.212 -0.449 . . . . 70.109999999999999 110.868 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 650' ' ' VAL . . . . . 0.714 HG21 HD22 ' A' ' 626' ' ' LEU . 51.1 t -57.0 -49.99 77.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 50.32 111.187 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 651' ' ' LEU . . . . . 0.812 HD12 HG23 ' A' ' 627' ' ' VAL . 6.0 mp -61.82 -36.87 82.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 62.350000000000001 110.949 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -54.63 -51.09 66.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 65.319999999999993 111.1 179.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -76.01 -44.51 39.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 74.430000000000007 111.093 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 654' ' ' HIS . . . . . . . . . . . . . 63.3 t60 -54.15 -44.38 71.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 73.219999999999999 110.818 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -77.24 -46.79 22.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 45.219999999999999 111.103 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 79.9 t80 -53.82 -50.29 66.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 61.340000000000003 110.887 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 657' ' ' TRP . . . . . . . . . . . . . 69.4 m95 -71.31 -33.73 69.94 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.11 -0.495 . . . . 74.310000000000002 110.952 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -56.91 -31.05 64.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 74.329999999999998 110.887 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 659' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 71.319999999999993 110.849 -179.948 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 581' ' ' SER . . . . . 0.426 ' O ' HG23 ' A' ' 585' ' ' VAL . 12.9 m . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.946 0.403 . . . . 73.239999999999995 110.819 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 582' ' ' VAL . . . . . 0.69 HG13 ' HG3' ' A' ' 643' ' ' PRO . 87.0 t -51.96 -39.01 24.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.082 -0.508 . . . . 72.019999999999996 111.111 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -69.27 -34.9 75.46 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.186 -0.461 . . . . 52.200000000000003 111.064 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 584' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -75.26 -38.5 60.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 65.209999999999994 110.834 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 585' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 581' ' ' SER . 60.5 t -71.95 -34.58 51.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 73.420000000000002 111.131 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -51.22 -30.79 18.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.084 -0.507 . . . . 74.230000000000004 110.911 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 587' ' ' ALA . . . . . . . . . . . . . . . -76.16 -35.48 59.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 62.43 111.122 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 588' ' ' LEU . . . . . 0.524 ' O ' HG23 ' A' ' 592' ' ' VAL . 0.2 OUTLIER -62.88 -48.35 79.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 70.109999999999999 110.891 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 589' ' ' VAL . . . . . 0.596 HG22 HD21 ' A' ' 626' ' ' LEU . 10.4 t -68.35 -55.91 14.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 73.019999999999996 111.133 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -51.04 -43.57 60.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.083 -0.508 . . . . 72.340000000000003 110.903 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 591' ' ' ALA . . . . . 0.633 ' HB3' HG13 ' A' ' 603' ' ' VAL . . . -66.94 -41.86 86.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 63.310000000000002 111.146 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 592' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 588' ' ' LEU . 40.7 t -69.26 -25.22 28.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.262 -0.426 . . . . 75.439999999999998 111.081 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -73.23 -38.41 66.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.492 . . . . 74.319999999999993 110.852 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -86.67 -47.7 8.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 72.140000000000001 110.921 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 595' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -79.37 -24.1 42.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 74.420000000000002 110.899 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 596' ' ' GLY . . . . . 0.403 ' CA ' ' O ' ' A' ' 592' ' ' VAL . . . 87.74 -167.38 36.7 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.75 -0.738 . . . . 55.229999999999997 112.516 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 4.5 p -102.52 34.12 2.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.854 0.359 . . . . 73.549999999999997 111.108 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 598' ' ' GLY . . . . . . . . . . . . . . . -143.8 11.71 2.15 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.748 -0.739 . . . . 73.430000000000007 112.473 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 599' ' ' ARG . . . . . 0.594 ' O ' HG23 ' A' ' 603' ' ' VAL . 70.4 mtt180 -132.06 77.41 1.76 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.801 0.334 . . . . 71.129999999999995 110.842 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 600' ' ' TRP . . . . . 0.67 ' HB3' HD12 ' A' ' 619' ' ' LEU . 11.1 m0 -69.46 -50.25 47.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.485 . . . . 72.040000000000006 110.919 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 601' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.61 -36.55 56.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.43 . . . . 74.040000000000006 110.864 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 602' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -76.86 -48.72 17.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 73.030000000000001 110.904 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 603' ' ' VAL . . . . . 0.633 HG13 ' HB3' ' A' ' 591' ' ' ALA . 52.9 t -58.5 -36.09 57.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.081 -0.509 . . . . 62.119999999999997 111.154 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 604' ' ' LYS . . . . . 0.653 ' HG3' HD21 ' A' ' 619' ' ' LEU . 2.3 ttpm? -71.9 -41.24 68.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 71.230000000000004 110.901 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 605' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -71.28 -32.99 69.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 71.25 110.874 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 606' ' ' ARG . . . . . . . . . . . . . 26.7 ttm-85 -80.94 -40.48 24.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 75.099999999999994 110.847 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -83.81 -70.97 0.53 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 65.120000000000005 111.074 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 608' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 74.329999999999998 110.849 -179.883 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 616' ' ' TYR . . . . . . . . . . . . . 16.8 p90 . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.936 0.398 . . . . 73.420000000000002 110.933 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 617' ' ' VAL . . . . . . . . . . . . . 12.2 p -65.17 -32.55 58.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.084 -0.507 . . . . 73.239999999999995 111.172 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 618' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -51.52 -29.72 17.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 65.340000000000003 110.89 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 619' ' ' LEU . . . . . 0.67 HD12 ' HB3' ' A' ' 600' ' ' TRP . 4.5 mt -77.18 -53.06 8.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 72.239999999999995 110.97 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 620' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.39 -33.09 73.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 72.439999999999998 110.91 179.807 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -68.98 -50.44 49.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 71.340000000000003 110.914 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.5 -33.73 74.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 74.510000000000005 110.917 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 623' ' ' TRP . . . . . 0.729 ' CZ3' HG23 ' A' ' 650' ' ' VAL . 9.1 t-105 -74.19 -54.98 6.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 63.310000000000002 110.912 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 2.6 tmtt? -51.64 -45.48 63.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 73.200000000000003 110.896 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 9.0 t -71.04 -28.99 64.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.25 -0.432 . . . . 63.119999999999997 111.159 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 626' ' ' LEU . . . . . 0.664 ' HG ' HG21 ' A' ' 650' ' ' VAL . 4.7 tp -71.19 -55.07 8.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 71.099999999999994 110.844 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 627' ' ' VAL . . . . . 0.76 HG21 ' CG ' ' A' ' 654' ' ' HIS . 6.3 p -57.43 -43.84 83.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 71.540000000000006 111.106 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 628' ' ' HIS . . . . . 0.488 ' HA ' HD13 ' A' ' 632' ' ' ILE . 0.1 OUTLIER -57.86 -39.32 77.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 73.299999999999997 110.857 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 629' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -66.31 -29.63 69.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 65.519999999999996 111.049 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 630' ' ' ALA . . . . . 0.764 ' HA ' HD13 ' A' ' 647' ' ' LEU . . . -54.26 -49.04 70.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.307 -0.406 . . . . 61.299999999999997 111.093 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 631' ' ' SER . . . . . 0.74 ' C ' HD12 ' A' ' 632' ' ' ILE . 11.5 t 173.54 69.27 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.429 . . . . 73.049999999999997 110.842 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 632' ' ' ILE . . . . . 0.74 HD12 ' C ' ' A' ' 631' ' ' SER . 1.9 mp -129.07 -72.57 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 61.229999999999997 111.086 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 633' ' ' ALA . . . . . 0.525 ' N ' HG22 ' A' ' 632' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 121.596 0.712 . . . . 73.319999999999993 111.084 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo . . . . . 0 N--CA 1.466 -0.144 0 CA-C-O 120.824 0.26 . . . . 73.209999999999994 112.295 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 642' ' ' VAL . . . . . 0.525 HG21 HD11 ' A' ' 647' ' ' LEU . 3.2 p -133.37 134.45 23.94 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.686 0.755 . . . . 71.409999999999997 111.092 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 643' ' ' PRO . . . . . 0.69 ' HG3' HG13 ' A' ' 582' ' ' VAL . 53.7 Cg_endo -69.76 128.74 16.46 Favored 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 122.715 2.277 . . . . 70.409999999999997 112.323 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 44.0 tt0 -70.25 -25.61 63.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.232 -0.44 . . . . 64.019999999999996 110.949 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -64.56 -39.14 93.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.179 -0.464 . . . . 54.329999999999998 110.871 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 646' ' ' LEU . . . . . . . . . . . . . 17.5 mt -75.39 -42.64 53.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 74.340000000000003 110.944 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 647' ' ' LEU . . . . . 0.764 HD13 ' HA ' ' A' ' 630' ' ' ALA . 44.5 mt -67.62 -35.49 79.03 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.174 -0.466 . . . . 73.409999999999997 110.868 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -72.72 -39.8 66.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 72.120000000000005 110.892 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 16.5 mmt180 -74.69 -48.48 25.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 73.409999999999997 110.845 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 650' ' ' VAL . . . . . 0.729 HG23 ' CZ3' ' A' ' 623' ' ' TRP . 9.8 p -55.9 -35.61 41.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.238 -0.437 . . . . 71.319999999999993 111.133 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 651' ' ' LEU . . . . . 0.592 HD11 ' HB1' ' A' ' 630' ' ' ALA . 39.4 mt -72.94 -37.65 67.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 74.230000000000004 110.903 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -57.24 -52.49 65.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 61.530000000000001 111.1 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 653' ' ' ALA . . . . . 0.553 ' HB3' ' HH2' ' A' ' 623' ' ' TRP . . . -70.62 -44.09 67.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.431 . . . . 65.219999999999999 111.084 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 654' ' ' HIS . . . . . 0.76 ' CG ' HG21 ' A' ' 627' ' ' VAL . 36.0 t-80 -56.08 -44.06 78.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 72.120000000000005 110.895 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -77.42 -46.76 21.63 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.16 -0.473 . . . . 64.430000000000007 111.14 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 80.2 t80 -55.56 -50.02 71.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 74.450000000000003 110.938 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 657' ' ' TRP . . . . . . . . . . . . . 69.0 m95 -70.82 -30.92 67.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.136 -0.484 . . . . 71.310000000000002 110.922 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 8.9 t -58.99 -34.61 72.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.244 -0.434 . . . . 75.310000000000002 110.875 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 659' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 72.219999999999999 110.885 -179.951 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 34.7 m . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.887 0.375 . . . . 53.030000000000001 110.839 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 582' ' ' VAL . . . . . 0.59 HG13 ' HG3' ' A' ' 643' ' ' PRO . 85.8 t -51.7 -37.66 20.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.486 . . . . 60.43 111.155 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -69.97 -35.08 74.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 71.219999999999999 111.1 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 584' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -74.71 -52.86 10.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.291 -0.413 . . . . 64.239999999999995 110.893 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 585' ' ' VAL . . . . . 0.639 HG22 ' HE2' ' A' ' 622' ' ' LYS . 88.5 t -53.8 -33.88 24.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 33.439999999999998 111.136 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -60.69 -30.96 70.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 72.409999999999997 110.869 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 587' ' ' ALA . . . . . . . . . . . . . . . -71.25 -47.91 54.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 73.510000000000005 111.128 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 588' ' ' LEU . . . . . 0.632 HD21 ' HA ' ' A' ' 619' ' ' LEU . 0.1 OUTLIER -54.38 -54.88 34.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 71.010000000000005 110.92 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 589' ' ' VAL . . . . . 0.737 HG11 HD22 ' A' ' 646' ' ' LEU . 4.5 p -62.43 -46.47 96.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 61.219999999999999 111.181 179.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 590' ' ' GLU . . . . . 0.469 ' N ' HG13 ' A' ' 589' ' ' VAL . 37.7 mt-10 -51.45 -47.45 63.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.117 -0.492 . . . . 64.420000000000002 110.916 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 591' ' ' ALA . . . . . 0.433 ' HB3' HG13 ' A' ' 603' ' ' VAL . . . -70.13 -35.06 73.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.136 -0.483 . . . . 73.540000000000006 111.165 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 592' ' ' VAL . . . . . 0.413 ' O ' ' CA ' ' A' ' 596' ' ' GLY . 4.3 t -70.53 -27.94 33.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.197 -0.456 . . . . 54.43 111.097 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 593' ' ' GLU . . . . . 0.451 ' OE2' ' HB2' ' A' ' 653' ' ' ALA . 1.2 mm-40 -75.64 -35.31 60.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 63.409999999999997 110.889 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -85.6 -48.01 9.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 63.420000000000002 110.903 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 595' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -82.09 -24.65 35.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 64.329999999999998 110.879 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 596' ' ' GLY . . . . . 0.413 ' CA ' ' O ' ' A' ' 592' ' ' VAL . . . 89.96 -145.37 18.17 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.737 -0.744 . . . . 61.539999999999999 112.537 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 3.2 p -122.61 27.98 7.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.825 0.345 . . . . 75.150000000000006 111.162 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 598' ' ' GLY . . . . . . . . . . . . . . . -131.84 1.8 5.14 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.761 -0.733 . . . . 74.239999999999995 112.455 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 599' ' ' ARG . . . . . 0.623 ' O ' HG23 ' A' ' 603' ' ' VAL . 61.6 mtm-85 -128.09 83.03 2.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.767 0.318 . . . . 74.540000000000006 110.927 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 600' ' ' TRP . . . . . 0.45 ' HB3' HD11 ' A' ' 619' ' ' LEU . 10.8 m0 -69.35 -50.61 44.75 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.234 -0.439 . . . . 74.310000000000002 110.905 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 601' ' ' ARG . . . . . . . . . . . . . 18.5 ptt180 -53.58 -47.82 69.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.436 . . . . 75.019999999999996 110.85 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 602' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -61.62 -36.99 82.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.438 . . . . 55.299999999999997 110.882 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 603' ' ' VAL . . . . . 0.623 HG23 ' O ' ' A' ' 599' ' ' ARG . 24.8 t -62.58 -31.95 53.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.455 . . . . 72.299999999999997 111.094 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.98 -46.77 64.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 64.349999999999994 110.847 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 605' ' ' MET . . . . . . . . . . . . . 3.3 mmt -69.94 -31.36 69.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.426 . . . . 71.049999999999997 110.895 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 606' ' ' ARG . . . . . . . . . . . . . 15.7 tpp180 -78.91 -40.58 31.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 73.200000000000003 110.917 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -79.29 -65.64 0.97 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 71.219999999999999 111.111 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 608' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.275 -0.421 . . . . 73.540000000000006 110.87 -179.901 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 616' ' ' TYR . . . . . . . . . . . . . 24.6 p90 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.94 0.4 . . . . 73.299999999999997 110.958 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 617' ' ' VAL . . . . . . . . . . . . . 9.3 p -69.17 -33.92 60.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.059 -0.518 . . . . 70.5 111.137 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 618' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.67 -51.44 67.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.496 . . . . 71.340000000000003 110.839 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 619' ' ' LEU . . . . . 0.632 ' HA ' HD21 ' A' ' 588' ' ' LEU . 4.5 pp -75.71 -21.54 57.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 73.400000000000006 110.896 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 620' ' ' LYS . . . . . 0.447 ' N ' HD12 ' A' ' 619' ' ' LEU . 13.5 ttmm -74.53 -39.85 62.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.242 -0.435 . . . . 73.109999999999999 110.853 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 49.0 t0 -71.2 -45.89 62.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.262 -0.426 . . . . 64.150000000000006 110.878 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 622' ' ' LYS . . . . . 0.639 ' HE2' HG22 ' A' ' 585' ' ' VAL . 1.0 OUTLIER -63.23 -33.86 76.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 50.210000000000001 110.949 179.952 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 623' ' ' TRP . . . . . 0.45 ' O ' HG23 ' A' ' 627' ' ' VAL . 0.4 OUTLIER -66.64 -45.32 79.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 73.340000000000003 110.894 179.897 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -55.78 -54.44 44.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 64.230000000000004 110.901 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 4.2 t -62.04 -34.3 75.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 74.319999999999993 111.156 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 626' ' ' LEU . . . . . 1.08 HD22 HG21 ' A' ' 650' ' ' VAL . 0.4 OUTLIER -56.1 -53.58 55.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 65.420000000000002 110.904 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 627' ' ' VAL . . . . . 0.638 ' O ' HD13 ' A' ' 632' ' ' ILE . 8.3 t -59.84 -55.41 24.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.283 -0.417 . . . . 73.510000000000005 111.09 179.828 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 628' ' ' HIS . . . . . 0.472 ' HA ' ' HB ' ' A' ' 632' ' ' ILE . 5.8 m-70 -53.51 -27.06 23.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 64.129999999999995 110.863 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 629' ' ' THR . . . . . . . . . . . . . 52.2 m -75.97 -31.24 58.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.256 -0.429 . . . . 73.230000000000004 111.149 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 630' ' ' ALA . . . . . 0.607 ' HA ' HD13 ' A' ' 647' ' ' LEU . . . -53.01 -51.21 62.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 73.109999999999999 111.137 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 631' ' ' SER . . . . . 0.668 ' C ' HD12 ' A' ' 632' ' ' ILE . 10.8 t 169.9 66.66 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 75.549999999999997 110.845 -179.813 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 632' ' ' ILE . . . . . 0.668 HD12 ' C ' ' A' ' 631' ' ' SER . 1.9 mp -120.37 -76.63 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 71.409999999999997 111.147 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 633' ' ' ALA . . . . . 0.522 ' N ' HG22 ' A' ' 632' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-O 121.661 0.743 . . . . 70.409999999999997 111.114 179.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 C--O 1.231 0.153 0 CA-C-O 120.843 0.268 . . . . 72.239999999999995 112.309 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 642' ' ' VAL . . . . . 0.814 HG21 HD11 ' A' ' 647' ' ' LEU . 5.5 m -114.06 139.16 23.33 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.617 0.723 . . . . 74.409999999999997 111.173 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 643' ' ' PRO . . . . . 0.59 ' HG3' HG13 ' A' ' 582' ' ' VAL . 54.2 Cg_endo -69.68 128.24 15.82 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.641 2.228 . . . . 71.219999999999999 112.396 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 11.1 tp60 -65.47 -19.61 66.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.182 -0.463 . . . . 75.099999999999994 110.911 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -69.21 -38.07 78.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 72.319999999999993 110.9 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 646' ' ' LEU . . . . . 0.748 ' O ' HG23 ' A' ' 650' ' ' VAL . 59.6 mt -75.27 -53.79 8.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.49 . . . . 64.019999999999996 110.939 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 647' ' ' LEU . . . . . 0.814 HD11 HG21 ' A' ' 642' ' ' VAL . 34.9 mt -52.46 -43.74 65.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 74.329999999999998 110.929 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -61.65 -48.83 79.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 74.230000000000004 110.805 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -60.79 -44.34 96.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 75.349999999999994 110.848 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 650' ' ' VAL . . . . . 1.08 HG21 HD22 ' A' ' 626' ' ' LEU . 62.1 t -54.63 -48.6 71.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 74.430000000000007 111.107 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 651' ' ' LEU . . . . . 0.54 HD22 ' HB1' ' A' ' 630' ' ' ALA . 1.3 mp -71.43 -25.22 62.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 71.209999999999994 110.95 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -66.95 -49.1 66.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.471 . . . . 75.099999999999994 111.137 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 653' ' ' ALA . . . . . 0.451 ' HB2' ' OE2' ' A' ' 593' ' ' GLU . . . -71.06 -49.31 46.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.441 . . . . 55.439999999999998 111.068 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 654' ' ' HIS . . . . . 0.625 ' CD2' HG22 ' A' ' 627' ' ' VAL . 20.5 m-70 -58.23 -31.42 67.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 72.010000000000005 110.903 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -70.96 -46.88 61.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 74.219999999999999 111.096 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 85.7 t80 -67.98 -44.9 75.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.283 -0.417 . . . . 74.200000000000003 110.93 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 657' ' ' TRP . . . . . . . . . . . . . 20.8 m95 -64.13 -43.9 93.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.09 -0.505 . . . . 73.120000000000005 110.873 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 38.4 m -62.79 -31.84 72.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 44.340000000000003 110.813 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 659' ' ' GLN . . . . . . . . . . . . . 18.8 tp60 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 75.140000000000001 110.899 -179.92 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 581' ' ' SER . . . . . 0.489 ' O ' HG23 ' A' ' 585' ' ' VAL . 50.9 m . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.901 0.382 . . . . 53.439999999999998 110.843 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 582' ' ' VAL . . . . . 0.558 HG13 ' HG3' ' A' ' 643' ' ' PRO . 91.1 t -60.64 -42.49 91.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 70.219999999999999 111.136 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -70.01 -31.64 69.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 71.109999999999999 111.138 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 584' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -75.28 -55.23 5.92 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.228 -0.442 . . . . 73.420000000000002 110.926 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 585' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 581' ' ' SER . 98.2 t -54.75 -34.17 29.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 74.430000000000007 111.143 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -51.35 -31.04 20.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 73.400000000000006 110.861 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 587' ' ' ALA . . . . . 0.643 ' HB1' ' HA ' ' A' ' 607' ' ' ALA . . . -70.18 -37.44 75.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 70.239999999999995 111.104 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 588' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.93 -54.73 41.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 75.230000000000004 110.897 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 589' ' ' VAL . . . . . 0.629 ' CG2' HG23 ' A' ' 650' ' ' VAL . 7.7 p -66.41 -43.67 91.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.128 -0.487 . . . . 73.409999999999997 111.207 179.814 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 590' ' ' GLU . . . . . 0.444 ' N ' HG13 ' A' ' 589' ' ' VAL . 54.6 mt-10 -52.47 -47.77 66.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 73.400000000000006 110.869 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 591' ' ' ALA . . . . . 0.59 ' HB1' ' HA ' ' A' ' 603' ' ' VAL . . . -67.03 -34.67 78.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.481 . . . . 73.209999999999994 111.097 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 592' ' ' VAL . . . . . 0.426 HG11 ' NE2' ' A' ' 654' ' ' HIS . 24.1 t -74.21 -26.29 20.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.452 . . . . 70.310000000000002 111.152 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.54 -40.47 63.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.485 . . . . 74.049999999999997 110.918 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -86.01 -47.09 9.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.071 -0.513 . . . . 74.540000000000006 110.872 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 595' ' ' LEU . . . . . 0.47 HD13 ' HB2' ' A' ' 602' ' ' ASP . 17.3 mt -79.29 -23.85 43.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 62.420000000000002 110.862 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 596' ' ' GLY . . . . . 0.406 ' CA ' ' O ' ' A' ' 592' ' ' VAL . . . 87.87 -151.19 22.84 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.748 -0.739 . . . . 42.009999999999998 112.453 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 6.6 p -116.89 29.51 7.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.783 0.325 . . . . 72.530000000000001 111.113 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 598' ' ' GLY . . . . . . . . . . . . . . . -127.71 -4.0 5.82 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.709 -0.758 . . . . 44.43 112.51 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 599' ' ' ARG . . . . . 0.711 ' O ' HG23 ' A' ' 603' ' ' VAL . 32.1 mtt180 -124.3 79.85 1.78 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.807 0.337 . . . . 64.420000000000002 110.876 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 600' ' ' TRP . . . . . . . . . . . . . 15.7 m0 -67.65 -48.54 66.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.205 -0.452 . . . . 72.109999999999999 110.924 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 601' ' ' ARG . . . . . . . . . . . . . 33.5 mmt180 -52.82 -47.93 67.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.441 . . . . 74.540000000000006 110.868 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 602' ' ' ASP . . . . . 0.47 ' HB2' HD13 ' A' ' 595' ' ' LEU . 2.8 m-20 -62.53 -36.34 82.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 72.409999999999997 110.831 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 603' ' ' VAL . . . . . 0.711 HG23 ' O ' ' A' ' 599' ' ' ARG . 55.2 t -62.95 -31.99 54.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 75.25 111.06 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 14.2 ttmm -70.13 -48.85 55.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 64.530000000000001 110.897 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 605' ' ' MET . . . . . . . . . . . . . 6.0 ptm -71.4 -31.22 67.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 72.329999999999998 110.938 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 606' ' ' ARG . . . . . . . . . . . . . 7.0 tpm_? -77.02 -41.1 44.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 71.420000000000002 110.848 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 607' ' ' ALA . . . . . 0.643 ' HA ' ' HB1' ' A' ' 587' ' ' ALA . . . -85.24 -69.23 0.67 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 74.140000000000001 111.062 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 608' ' ' PHE . . . . . . . . . . . . . 72.0 m-85 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 73.549999999999997 110.904 -179.914 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 616' ' ' TYR . . . . . . . . . . . . . 27.6 p90 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.945 0.402 . . . . 74.099999999999994 110.907 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 617' ' ' VAL . . . . . . . . . . . . . 14.7 p -51.34 -33.11 13.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.061 -0.518 . . . . 75.120000000000005 111.1 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 618' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.32 -51.0 67.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 72.420000000000002 110.797 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 619' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -71.49 -25.07 62.11 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.226 -0.443 . . . . 62.420000000000002 110.904 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 620' ' ' LYS . . . . . . . . . . . . . 21.8 tttt -69.37 -38.92 78.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 72.140000000000001 110.892 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -71.57 -44.45 64.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.446 . . . . 73.450000000000003 110.899 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.16 -31.23 71.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 74.530000000000001 110.881 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 623' ' ' TRP . . . . . 0.468 ' O ' HG23 ' A' ' 627' ' ' VAL . 0.8 OUTLIER -71.57 -53.97 12.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 73.510000000000005 110.903 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 9.6 tmtt? -57.32 -48.91 77.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 75.150000000000006 110.89 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 12.3 t -62.07 -30.93 71.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.295 -0.411 . . . . 75.549999999999997 111.169 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 626' ' ' LEU . . . . . 0.406 HD13 HG21 ' A' ' 650' ' ' VAL . 2.6 mt -64.8 -54.74 26.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 74.239999999999995 110.909 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 627' ' ' VAL . . . . . 0.684 ' O ' HD13 ' A' ' 632' ' ' ILE . 3.9 t -57.37 -55.64 19.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 72.200000000000003 111.084 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 628' ' ' HIS . . . . . 0.467 ' HA ' ' HB ' ' A' ' 632' ' ' ILE . 12.1 m80 -52.94 -30.3 33.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 74.420000000000002 110.824 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 629' ' ' THR . . . . . . . . . . . . . 39.9 m -79.44 -29.75 41.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.25 -0.432 . . . . 74.430000000000007 111.129 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 630' ' ' ALA . . . . . 0.65 ' HA ' HD13 ' A' ' 647' ' ' LEU . . . -54.13 -49.87 68.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.267 -0.424 . . . . 71.310000000000002 111.089 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 631' ' ' SER . . . . . 0.618 ' C ' HD12 ' A' ' 632' ' ' ILE . 0.5 OUTLIER 171.02 67.58 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 74.439999999999998 110.829 -179.775 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 632' ' ' ILE . . . . . 0.684 HD13 ' O ' ' A' ' 627' ' ' VAL . 1.7 mp -118.24 -66.13 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 75.540000000000006 111.137 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 633' ' ' ALA . . . . . 0.473 ' N ' HG22 ' A' ' 632' ' ' ILE . . . . . . . . 0 C--N 1.328 -0.336 0 CA-C-O 121.542 0.687 . . . . 43.049999999999997 111.118 179.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.842 0.267 . . . . 72.239999999999995 112.267 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 642' ' ' VAL . . . . . 0.731 HG21 HD11 ' A' ' 647' ' ' LEU . 2.1 p -134.24 131.46 20.65 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.587 0.708 . . . . 75.439999999999998 111.11 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 643' ' ' PRO . . . . . 0.558 ' HG3' HG13 ' A' ' 582' ' ' VAL . 54.0 Cg_endo -69.73 128.64 16.35 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.657 2.238 . . . . 63.420000000000002 112.366 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -75.65 -19.27 59.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.255 -0.43 . . . . 73.319999999999993 110.893 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -70.7 -38.85 73.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 54.210000000000001 110.861 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 646' ' ' LEU . . . . . . . . . . . . . 13.3 mt -75.51 -46.05 34.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 72.530000000000001 110.903 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 647' ' ' LEU . . . . . 0.731 HD11 HG21 ' A' ' 642' ' ' VAL . 39.4 mt -60.12 -52.1 66.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 74.549999999999997 110.912 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -56.4 -48.7 76.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 50.530000000000001 110.879 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 36.7 mmm-85 -65.24 -28.41 69.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 72.310000000000002 110.872 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 650' ' ' VAL . . . . . 0.629 HG23 ' CG2' ' A' ' 589' ' ' VAL . 0.9 OUTLIER -69.92 -47.01 71.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 74.099999999999994 111.108 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 651' ' ' LEU . . . . . 0.429 ' O ' ' HB2' ' A' ' 655' ' ' ALA . 27.5 mt -72.82 -25.75 61.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.173 -0.467 . . . . 52.329999999999998 110.885 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -67.12 -52.56 40.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 73.319999999999993 111.095 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -68.56 -53.06 25.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 64.5 111.1 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 654' ' ' HIS . . . . . 0.528 ' CE1' HG22 ' A' ' 627' ' ' VAL . 64.0 m170 -54.52 -30.62 54.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 75.540000000000006 110.839 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 655' ' ' ALA . . . . . 0.429 ' HB2' ' O ' ' A' ' 651' ' ' LEU . . . -69.79 -46.99 64.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.259 -0.428 . . . . 74.109999999999999 111.173 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 66.8 t80 -69.16 -48.98 60.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 73.329999999999998 110.963 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 657' ' ' TRP . . . . . . . . . . . . . 21.8 m95 -58.62 -41.23 85.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 74.239999999999995 110.896 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 19.9 t -71.25 -30.66 66.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.436 . . . . 64.140000000000001 110.812 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 659' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 53.32 110.903 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 581' ' ' SER . . . . . 0.744 ' O ' HG12 ' A' ' 585' ' ' VAL . 1.2 m . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.89 0.376 . . . . 73.140000000000001 110.889 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 582' ' ' VAL . . . . . 0.49 HG13 ' HG3' ' A' ' 643' ' ' PRO . 84.8 t -52.94 -37.77 26.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.48 . . . . 71.109999999999999 111.132 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -71.99 -33.7 68.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 64.409999999999997 111.125 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 584' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -74.78 -56.08 5.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 75.129999999999995 110.887 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 585' ' ' VAL . . . . . 0.744 HG12 ' O ' ' A' ' 581' ' ' SER . 2.6 p -54.2 -32.49 23.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 43.340000000000003 111.16 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -49.94 -30.36 10.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.483 . . . . 71.0 110.902 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 587' ' ' ALA . . . . . 0.573 ' HB1' ' HA ' ' A' ' 607' ' ' ALA . . . -76.45 -40.64 49.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 71.230000000000004 111.117 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 588' ' ' LEU . . . . . 0.482 ' O ' HD13 ' A' ' 588' ' ' LEU . 1.6 tm? -56.5 -50.66 71.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 74.319999999999993 110.896 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 589' ' ' VAL . . . . . 0.766 HG21 ' HB3' ' A' ' 646' ' ' LEU . 18.5 t -63.72 -56.72 15.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.473 . . . . 71.540000000000006 111.121 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -55.16 -27.7 47.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 75.299999999999997 110.815 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 591' ' ' ALA . . . . . 0.413 ' HB2' ' HG3' ' A' ' 606' ' ' ARG . . . -75.21 -45.91 37.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 53.310000000000002 111.045 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 592' ' ' VAL . . . . . . . . . . . . . 10.7 p -74.72 -25.92 19.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 51.119999999999997 111.169 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 593' ' ' GLU . . . . . 0.652 ' OE2' ' HB2' ' A' ' 653' ' ' ALA . 0.6 OUTLIER -72.8 -42.17 64.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.124 -0.489 . . . . 72.430000000000007 110.904 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 51.0 t-80 -84.25 -46.6 11.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 73.049999999999997 110.913 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 595' ' ' LEU . . . . . 0.67 HD11 ' CB ' ' A' ' 606' ' ' ARG . 11.0 mt -79.52 -16.06 56.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.207 -0.451 . . . . 53.149999999999999 110.875 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 596' ' ' GLY . . . . . . . . . . . . . . . 83.29 167.14 41.07 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.709 -0.758 . . . . 74.540000000000006 112.501 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 2.0 p -77.9 -2.25 35.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.843 0.354 . . . . 73.209999999999994 111.124 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 598' ' ' GLY . . . . . . . . . . . . . . . -104.23 17.4 47.83 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.771 -0.728 . . . . 52.210000000000001 112.483 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 599' ' ' ARG . . . . . 0.679 ' O ' HG23 ' A' ' 603' ' ' VAL . 90.3 mtt180 -135.18 66.32 1.53 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.796 0.332 . . . . 64.120000000000005 110.904 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 600' ' ' TRP . . . . . . . . . . . . . 12.3 m0 -60.02 -50.51 73.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 64.120000000000005 110.932 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 601' ' ' ARG . . . . . . . . . . . . . 56.7 mtm180 -52.95 -47.36 68.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 64.109999999999999 110.875 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 602' ' ' ASP . . . . . 0.582 ' C ' HD13 ' A' ' 595' ' ' LEU . 1.8 m-20 -64.03 -34.41 77.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 74.239999999999995 110.812 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 603' ' ' VAL . . . . . 0.679 HG23 ' O ' ' A' ' 599' ' ' ARG . 57.3 t -65.69 -32.62 59.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.277 -0.42 . . . . 71.140000000000001 111.118 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 15.6 ttpp -68.92 -48.64 62.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 74.439999999999998 110.865 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 605' ' ' MET . . . . . . . . . . . . . 25.8 ptm -73.11 -31.37 64.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 64.340000000000003 110.905 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 606' ' ' ARG . . . . . 0.67 ' CB ' HD11 ' A' ' 595' ' ' LEU . 17.6 tpp180 -73.24 -40.69 64.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.226 -0.443 . . . . 74.420000000000002 110.909 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 607' ' ' ALA . . . . . 0.573 ' HA ' ' HB1' ' A' ' 587' ' ' ALA . . . -89.97 -69.59 0.71 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 23.109999999999999 111.091 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 608' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 71.530000000000001 110.868 -179.924 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 616' ' ' TYR . . . . . . . . . . . . . 11.4 p90 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.957 0.408 . . . . 64.25 110.961 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 617' ' ' VAL . . . . . . . . . . . . . 14.9 p -71.56 -33.11 48.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 54.030000000000001 111.111 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 618' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -54.86 -51.02 67.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 75.129999999999995 110.88 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 619' ' ' LEU . . . . . 0.621 HD13 ' CG1' ' A' ' 603' ' ' VAL . 1.5 pp -71.87 -32.45 67.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 74.239999999999995 110.925 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 620' ' ' LYS . . . . . . . . . . . . . 4.9 tmtt? -63.7 -38.85 92.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 75.049999999999997 110.92 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -71.78 -41.16 68.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 53.219999999999999 110.847 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 9.2 mmtm -55.28 -41.43 72.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 73.510000000000005 110.891 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 623' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -68.73 -50.64 49.06 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.246 -0.434 . . . . 71.530000000000001 110.961 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -51.71 -54.89 23.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 75.209999999999994 110.926 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 15.2 t -61.16 -30.67 70.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.255 -0.43 . . . . 64.519999999999996 111.121 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 626' ' ' LEU . . . . . 0.698 HD23 HD23 ' A' ' 647' ' ' LEU . 0.2 OUTLIER -61.53 -49.9 74.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 72.099999999999994 110.954 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 627' ' ' VAL . . . . . 0.593 HG22 HG13 ' A' ' 650' ' ' VAL . 91.1 t -58.1 -54.64 29.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 74.140000000000001 111.164 179.795 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 628' ' ' HIS . . . . . 0.435 ' HA ' HD13 ' A' ' 632' ' ' ILE . 0.0 OUTLIER -53.61 -27.31 26.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 73.400000000000006 110.868 179.931 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 629' ' ' THR . . . . . 0.841 HG21 HG21 ' A' ' 642' ' ' VAL . 48.7 m -78.21 -28.83 48.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 61.219999999999999 111.119 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 630' ' ' ALA . . . . . 0.703 ' HA ' HD13 ' A' ' 647' ' ' LEU . . . -53.17 -50.77 63.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 72.140000000000001 111.09 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 631' ' ' SER . . . . . 0.454 ' C ' HD12 ' A' ' 632' ' ' ILE . 0.4 OUTLIER 167.73 67.19 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 52.439999999999998 110.856 -179.763 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 632' ' ' ILE . . . . . 0.557 HD13 ' O ' ' A' ' 627' ' ' VAL . 1.7 mp -110.59 -66.54 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 64.340000000000003 111.104 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 633' ' ' ALA . . . . . 0.469 ' N ' HG22 ' A' ' 632' ' ' ILE . . . . . . . . 0 C--N 1.328 -0.352 0 CA-C-O 121.574 0.702 . . . . 75.219999999999999 111.059 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 N--CA 1.466 -0.12 0 CA-C-O 120.911 0.296 . . . . 71.430000000000007 112.382 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 642' ' ' VAL . . . . . 0.841 HG21 HG21 ' A' ' 629' ' ' THR . 15.0 t -104.42 133.92 19.95 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.673 0.749 . . . . 71.140000000000001 111.138 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 643' ' ' PRO . . . . . 0.49 ' HG3' HG13 ' A' ' 582' ' ' VAL . 53.0 Cg_endo -69.85 128.4 15.89 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.643 2.229 . . . . 63.030000000000001 112.261 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 66.2 tt0 -65.27 -17.38 64.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 71.230000000000004 110.986 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -68.05 -47.55 68.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 70.530000000000001 110.814 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 646' ' ' LEU . . . . . 0.766 ' HB3' HG21 ' A' ' 589' ' ' VAL . 18.5 mt -74.69 -33.45 62.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 62.149999999999999 110.902 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 647' ' ' LEU . . . . . 0.703 HD13 ' HA ' ' A' ' 630' ' ' ALA . 94.5 mt -72.5 -52.13 17.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 64.530000000000001 110.927 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -61.25 -30.59 70.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 64.540000000000006 110.882 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 12.2 mtt-85 -72.42 -45.25 60.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 54.539999999999999 110.897 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 650' ' ' VAL . . . . . 0.593 HG13 HG22 ' A' ' 627' ' ' VAL . 0.3 OUTLIER -61.81 -32.5 54.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 71.319999999999993 111.094 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -71.31 -42.83 68.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 71.209999999999994 110.949 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -54.44 -47.78 72.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 71.439999999999998 111.148 179.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 653' ' ' ALA . . . . . 0.652 ' HB2' ' OE2' ' A' ' 593' ' ' GLU . . . -75.92 -42.57 48.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 50.340000000000003 111.048 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 654' ' ' HIS . . . . . . . . . . . . . 16.2 t-80 -54.52 -45.47 73.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.428 . . . . 64.239999999999995 110.852 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -77.36 -46.06 24.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.215 -0.448 . . . . 71.519999999999996 111.104 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -54.48 -49.98 68.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.13 -0.486 . . . . 75.299999999999997 110.932 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 657' ' ' TRP . . . . . . . . . . . . . 68.7 m95 -70.72 -33.02 70.41 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.112 -0.495 . . . . 74.450000000000003 110.923 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 27.3 t -64.28 -32.15 73.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 63.229999999999997 110.835 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 659' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.102 -0.499 . . . . 63.420000000000002 110.878 -179.989 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.861 0.363 . . . . 55.520000000000003 110.897 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 582' ' ' VAL . . . . . 0.762 HG13 ' HG3' ' A' ' 643' ' ' PRO . 96.7 t -51.49 -41.22 26.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 73.329999999999998 111.184 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -70.49 -31.47 68.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 75.0 111.1 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 584' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -74.92 -55.65 5.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.256 -0.429 . . . . 63.119999999999997 110.878 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 585' ' ' VAL . . . . . . . . . . . . . 92.0 t -54.85 -34.12 29.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 65.519999999999996 111.102 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -51.21 -31.45 20.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 53.43 110.888 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 587' ' ' ALA . . . . . . . . . . . . . . . -69.1 -44.89 71.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.488 . . . . 61.420000000000002 111.117 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 588' ' ' LEU . . . . . 0.483 ' O ' HG23 ' A' ' 592' ' ' VAL . 0.1 OUTLIER -53.37 -51.22 63.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 72.219999999999999 110.927 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 589' ' ' VAL . . . . . 0.454 HG13 ' N ' ' A' ' 590' ' ' GLU . 7.4 p -71.37 -43.66 73.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 75.120000000000005 111.105 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 590' ' ' GLU . . . . . 0.454 ' N ' HG13 ' A' ' 589' ' ' VAL . 50.1 mt-10 -52.76 -47.82 67.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 73.420000000000002 110.919 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 591' ' ' ALA . . . . . 0.599 ' HB3' HG13 ' A' ' 603' ' ' VAL . . . -68.84 -33.71 74.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 65.5 111.124 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 592' ' ' VAL . . . . . 0.58 HG11 ' NE2' ' A' ' 654' ' ' HIS . 40.6 t -74.77 -26.06 19.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 72.040000000000006 111.146 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.5 -40.04 64.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 65.420000000000002 110.899 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 63.1 m170 -85.93 -46.89 10.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.441 . . . . 71.299999999999997 110.922 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 595' ' ' LEU . . . . . 0.573 HD22 ' HB3' ' A' ' 602' ' ' ASP . 9.6 mt -79.76 -24.02 41.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 74.329999999999998 110.937 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 596' ' ' GLY . . . . . 0.409 ' CA ' ' O ' ' A' ' 592' ' ' VAL . . . 89.55 -177.43 43.74 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.722 -0.751 . . . . 61.399999999999999 112.529 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -92.82 21.0 5.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.854 0.359 . . . . 73.219999999999999 111.205 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 598' ' ' GLY . . . . . . . . . . . . . . . -125.87 11.87 7.35 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.761 -0.733 . . . . 32.210000000000001 112.52 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 599' ' ' ARG . . . . . 0.727 ' O ' HG23 ' A' ' 603' ' ' VAL . 46.9 mtt-85 -135.21 70.41 1.44 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.827 0.346 . . . . 75.219999999999999 110.926 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 600' ' ' TRP . . . . . . . . . . . . . 5.2 m0 -63.14 -49.32 74.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 75.409999999999997 110.92 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 601' ' ' ARG . . . . . . . . . . . . . 34.7 mtt-85 -52.78 -40.03 62.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 73.140000000000001 110.908 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 602' ' ' ASP . . . . . 0.573 ' HB3' HD22 ' A' ' 595' ' ' LEU . 2.0 m-20 -72.12 -31.55 66.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 75.450000000000003 110.884 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 603' ' ' VAL . . . . . 0.727 HG23 ' O ' ' A' ' 599' ' ' ARG . 75.0 t -64.34 -38.66 83.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 75.319999999999993 111.106 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 37.9 tttp -72.09 -42.69 65.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 73.319999999999993 110.915 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 605' ' ' MET . . . . . . . . . . . . . 23.4 mtp -70.97 -31.58 68.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 74.209999999999994 110.843 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 606' ' ' ARG . . . . . . . . . . . . . 13.1 ttm-85 -81.54 -40.34 23.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 61.219999999999999 110.897 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -84.56 -70.26 0.59 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 43.439999999999998 111.042 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 608' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.277 -0.419 . . . . 74.420000000000002 110.836 -179.854 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 616' ' ' TYR . . . . . 0.444 ' HB2' HD21 ' A' ' 619' ' ' LEU . 21.0 p90 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.962 0.41 . . . . 74.430000000000007 110.996 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 617' ' ' VAL . . . . . . . . . . . . . 14.5 p -71.67 -33.63 49.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.107 -0.497 . . . . 72.329999999999998 111.102 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 618' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.02 -51.08 69.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 75.310000000000002 110.845 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 619' ' ' LEU . . . . . 0.444 HD21 ' HB2' ' A' ' 616' ' ' TYR . 1.3 pp -68.88 -23.29 64.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.174 -0.466 . . . . 62.539999999999999 110.895 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 620' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.11 -39.52 82.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.452 . . . . 72.510000000000005 110.935 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -71.55 -49.75 37.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 74.299999999999997 110.911 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 1.4 tppp? -58.93 -27.78 65.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 71.439999999999998 110.936 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 623' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -74.32 -54.45 7.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 61.32 110.928 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.09 -40.67 46.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.258 -0.428 . . . . 74.019999999999996 110.877 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 9.4 t -75.71 -37.66 59.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 73.230000000000004 111.119 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 626' ' ' LEU . . . . . . . . . . . . . 1.6 mt -56.53 -55.97 27.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.43 . . . . 61.399999999999999 110.916 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 627' ' ' VAL . . . . . 0.692 ' O ' HD13 ' A' ' 632' ' ' ILE . 14.2 t -60.81 -55.69 22.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 73.219999999999999 111.114 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 628' ' ' HIS . . . . . 0.457 ' HA ' ' HB ' ' A' ' 632' ' ' ILE . 1.2 m80 -54.07 -28.69 40.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 73.310000000000002 110.831 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 629' ' ' THR . . . . . 0.493 HG21 HG21 ' A' ' 642' ' ' VAL . 21.5 m -79.8 -29.27 40.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 72.230000000000004 111.14 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 630' ' ' ALA . . . . . 0.638 ' HA ' HD13 ' A' ' 647' ' ' LEU . . . -52.85 -49.82 64.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 62.409999999999997 111.074 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 631' ' ' SER . . . . . 0.7 ' C ' HD12 ' A' ' 632' ' ' ILE . 0.4 OUTLIER 168.26 66.85 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 63.329999999999998 110.779 -179.809 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 632' ' ' ILE . . . . . 0.7 HD12 ' C ' ' A' ' 631' ' ' SER . 2.4 mp -128.84 -74.51 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.096 -0.502 . . . . 60.520000000000003 111.169 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 633' ' ' ALA . . . . . 0.471 ' N ' HG22 ' A' ' 632' ' ' ILE . . . . . . . . 0 C--N 1.328 -0.34 0 CA-C-O 121.617 0.722 . . . . 64.319999999999993 111.05 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.163 0 CA-C-O 120.735 0.223 . . . . 72.140000000000001 112.375 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 642' ' ' VAL . . . . . 0.493 HG21 HG21 ' A' ' 629' ' ' THR . 4.8 t -101.83 132.55 21.52 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.64 0.733 . . . . 53.200000000000003 111.137 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 643' ' ' PRO . . . . . 0.762 ' HG3' HG13 ' A' ' 582' ' ' VAL . 53.5 Cg_endo -69.78 128.51 16.11 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.652 2.235 . . . . 74.049999999999997 112.324 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -64.54 -23.04 67.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 73.120000000000005 110.933 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -59.29 -45.88 90.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 74.540000000000006 110.907 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 646' ' ' LEU . . . . . . . . . . . . . 28.5 mt -73.26 -53.09 11.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 61.539999999999999 110.881 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 647' ' ' LEU . . . . . 0.638 HD13 ' HA ' ' A' ' 630' ' ' ALA . 42.3 mt -53.22 -52.23 59.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.141 -0.481 . . . . 72.209999999999994 110.893 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 38.7 t0 -56.45 -40.86 75.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 64.230000000000004 110.944 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -67.37 -36.12 80.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.107 -0.497 . . . . 74.209999999999994 110.913 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 650' ' ' VAL . . . . . 0.689 HG13 ' CE1' ' A' ' 654' ' ' HIS . 25.1 t -64.89 -55.03 22.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 73.109999999999999 111.147 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 651' ' ' LEU . . . . . 0.45 ' CD1' ' HB1' ' A' ' 630' ' ' ALA . 30.8 mt -62.79 -24.3 67.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 75.340000000000003 110.944 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -68.75 -52.66 28.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 72.230000000000004 111.017 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -76.22 -50.4 14.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 34.219999999999999 111.092 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 654' ' ' HIS . . . . . 0.689 ' CE1' HG13 ' A' ' 650' ' ' VAL . 11.8 m170 -52.64 -31.32 36.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.435 . . . . 72.209999999999994 110.879 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -76.01 -46.86 27.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 73.109999999999999 111.056 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 93.8 t80 -64.86 -38.13 89.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 74.510000000000005 110.932 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 657' ' ' TRP . . . . . . . . . . . . . 19.5 m95 -70.11 -39.29 75.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.128 -0.487 . . . . 71.340000000000003 110.938 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 2.0 t -57.02 -50.62 72.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.2 -0.454 . . . . 73.200000000000003 110.885 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 659' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.15 -0.477 . . . . 73.439999999999998 110.946 -179.977 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 6.5 m . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.85 0.357 . . . . 75.129999999999995 110.898 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 582' ' ' VAL . . . . . 0.699 HG13 ' HG3' ' A' ' 643' ' ' PRO . 99.0 t -51.22 -38.52 19.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 75.230000000000004 111.103 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -69.55 -36.96 76.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.489 . . . . 64.329999999999998 111.096 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 584' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -71.42 -51.18 25.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.263 -0.426 . . . . 52.229999999999997 110.903 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 585' ' ' VAL . . . . . . . . . . . . . 70.3 t -53.96 -34.17 25.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 71.409999999999997 111.095 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -52.01 -38.05 55.47 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.165 -0.47 . . . . 73.299999999999997 110.852 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 587' ' ' ALA . . . . . . . . . . . . . . . -62.67 -32.4 73.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 72.409999999999997 111.151 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 588' ' ' LEU . . . . . 0.431 HD21 ' HB2' ' A' ' 619' ' ' LEU . 1.3 tm? -71.52 -55.53 7.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 75.140000000000001 110.853 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 589' ' ' VAL . . . . . 0.477 HG13 ' N ' ' A' ' 590' ' ' GLU . 5.7 p -63.31 -46.36 95.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 73.239999999999995 111.136 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 590' ' ' GLU . . . . . 0.477 ' N ' HG13 ' A' ' 589' ' ' VAL . 61.9 mt-10 -52.59 -48.14 66.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 64.510000000000005 110.882 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 591' ' ' ALA . . . . . 0.582 ' HB3' HG13 ' A' ' 603' ' ' VAL . . . -67.42 -35.29 78.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 61.049999999999997 111.066 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 592' ' ' VAL . . . . . 0.407 ' O ' ' CA ' ' A' ' 596' ' ' GLY . 12.3 t -70.3 -27.42 31.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 73.140000000000001 111.122 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 593' ' ' GLU . . . . . 0.478 ' HG2' ' HB2' ' A' ' 653' ' ' ALA . 1.6 mt-10 -75.02 -36.09 61.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 71.150000000000006 110.906 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -86.09 -48.7 8.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 65.030000000000001 110.875 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 595' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -80.39 -24.52 39.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 75.340000000000003 110.961 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 596' ' ' GLY . . . . . 0.407 ' CA ' ' O ' ' A' ' 592' ' ' VAL . . . 88.71 -162.27 31.46 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.722 -0.751 . . . . 44.140000000000001 112.48 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 13.8 p -107.23 26.71 9.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.85 0.357 . . . . 43.329999999999998 111.164 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 598' ' ' GLY . . . . . . . . . . . . . . . -131.04 0.05 5.23 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.841 -0.695 . . . . 42.32 112.542 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 599' ' ' ARG . . . . . 0.62 ' O ' HG23 ' A' ' 603' ' ' VAL . 54.2 mtm-85 -125.43 80.31 1.88 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.859 0.361 . . . . 73.010000000000005 110.863 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 600' ' ' TRP . . . . . 0.491 ' O ' HD21 ' A' ' 619' ' ' LEU . 9.4 m0 -67.89 -50.35 56.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 74.120000000000005 111.002 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 601' ' ' ARG . . . . . . . . . . . . . 30.3 mmm-85 -53.1 -48.43 67.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 75.519999999999996 110.871 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 602' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -61.53 -38.7 88.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 72.420000000000002 110.904 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 603' ' ' VAL . . . . . 0.698 HG11 HD13 ' A' ' 619' ' ' LEU . 45.8 t -66.58 -31.53 53.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 72.109999999999999 111.134 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 32.0 tptt -64.75 -47.05 79.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 62.450000000000003 110.839 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 605' ' ' MET . . . . . . . . . . . . . 9.8 ptm -72.82 -31.52 64.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 74.430000000000007 110.867 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 606' ' ' ARG . . . . . . . . . . . . . 7.3 tpm_? -73.78 -40.9 63.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 64.310000000000002 110.886 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -90.01 -70.34 0.67 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 75.409999999999997 111.173 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 608' ' ' PHE . . . . . . . . . . . . . 43.5 m-85 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 73.099999999999994 110.792 -179.897 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 616' ' ' TYR . . . . . . . . . . . . . 17.4 p90 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.925 0.393 . . . . 71.530000000000001 110.916 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 617' ' ' VAL . . . . . . . . . . . . . 10.7 p -51.37 -33.3 14.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.094 -0.503 . . . . 72.239999999999995 111.173 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 618' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.2 -50.56 69.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.486 . . . . 72.349999999999994 110.837 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 619' ' ' LEU . . . . . 0.698 HD13 HG11 ' A' ' 603' ' ' VAL . 0.8 OUTLIER -69.26 -25.92 64.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 72.340000000000003 110.922 -179.926 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 620' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.73 -43.39 72.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 73.519999999999996 110.836 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -71.71 -30.01 65.17 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.313 -0.403 . . . . 74.530000000000001 110.899 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.88 -45.27 86.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 72.340000000000003 110.836 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 623' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -67.11 -46.91 72.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.277 -0.419 . . . . 72.430000000000007 110.949 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 21.0 tttt -50.8 -49.93 57.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 73.219999999999999 110.872 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 13.8 t -71.29 -28.63 64.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 61.420000000000002 111.122 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 626' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.85 -55.8 28.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 75.219999999999999 110.932 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 627' ' ' VAL . . . . . 0.736 HG23 HD12 ' A' ' 651' ' ' LEU . 4.8 p -61.63 -42.04 92.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 63.140000000000001 111.079 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 628' ' ' HIS . . . . . 0.418 ' HA ' ' HB ' ' A' ' 632' ' ' ILE . 5.1 m-70 -62.15 -26.77 68.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 71.019999999999996 110.891 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 629' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -79.44 -28.85 41.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 35.32 111.144 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 630' ' ' ALA . . . . . 0.779 ' HA ' HD13 ' A' ' 647' ' ' LEU . . . -52.67 -48.72 66.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 73.109999999999999 111.133 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 631' ' ' SER . . . . . 0.736 ' C ' HD12 ' A' ' 632' ' ' ILE . 14.6 t 176.29 66.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 74.109999999999999 110.861 -179.823 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 632' ' ' ILE . . . . . 0.736 HD12 ' C ' ' A' ' 631' ' ' SER . 2.7 mp -135.04 -72.68 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.083 -0.508 . . . . 73.230000000000004 111.103 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 633' ' ' ALA . . . . . 0.433 ' N ' HG22 ' A' ' 632' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-O 121.528 0.68 . . . . 71.239999999999995 111.105 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.862 0.276 . . . . 63.509999999999998 112.371 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 642' ' ' VAL . . . . . 0.466 ' CG1' HD11 ' A' ' 647' ' ' LEU . 3.1 t -90.28 132.58 35.32 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.619 0.723 . . . . 51.310000000000002 111.124 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 643' ' ' PRO . . . . . 0.699 ' HG3' HG13 ' A' ' 582' ' ' VAL . 53.5 Cg_endo -69.87 128.86 16.53 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.67 2.247 . . . . 72.439999999999998 112.296 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 20.5 tt0 -68.82 -24.46 64.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 50.340000000000003 110.903 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -62.64 -47.7 82.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 75.510000000000005 110.873 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 646' ' ' LEU . . . . . 0.72 ' O ' HG23 ' A' ' 650' ' ' VAL . 12.1 mt -71.0 -51.6 24.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 71.510000000000005 110.976 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 647' ' ' LEU . . . . . 0.779 HD13 ' HA ' ' A' ' 630' ' ' ALA . 96.5 mt -55.37 -37.1 67.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 75.430000000000007 110.942 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -61.93 -49.46 76.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 72.530000000000001 110.845 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 11.6 mmp_? -68.64 -31.76 71.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 60.439999999999998 110.866 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 650' ' ' VAL . . . . . 0.72 HG23 ' O ' ' A' ' 646' ' ' LEU . 77.5 t -61.48 -48.83 87.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 74.140000000000001 111.15 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 651' ' ' LEU . . . . . 0.736 HD12 HG23 ' A' ' 627' ' ' VAL . 7.9 mp -71.02 -26.58 63.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.104 -0.498 . . . . 45.520000000000003 110.846 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -68.72 -45.9 70.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 74.099999999999994 111.086 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 653' ' ' ALA . . . . . 0.478 ' HB2' ' HG2' ' A' ' 593' ' ' GLU . . . -75.83 -45.98 32.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 63.399999999999999 111.068 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 654' ' ' HIS . . . . . . . . . . . . . 26.3 t-80 -53.82 -43.61 69.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.446 . . . . 53.329999999999998 110.841 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -77.43 -46.94 21.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 74.25 111.077 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 81.3 t80 -54.22 -49.73 68.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 72.549999999999997 110.984 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 657' ' ' TRP . . . . . . . . . . . . . 76.6 m95 -70.25 -32.36 70.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 73.129999999999995 110.976 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 30.5 t -69.34 -35.2 75.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 73.019999999999996 110.908 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 659' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 72.340000000000003 110.946 -179.991 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 561' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.161 0 CA-C-O 120.858 0.274 . . . . 43.109999999999999 112.326 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 562' ' ' VAL . . . . . . . . . . . . . 7.5 p -175.32 125.83 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 72.230000000000004 111.12 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 563' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -124.02 174.69 7.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 73.340000000000003 110.87 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -122.11 172.5 8.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 72.140000000000001 110.912 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 565' ' ' LYS . . . . . . . . . . . . . 16.9 mmtt -142.94 157.62 44.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 71.319999999999993 110.82 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 98.6 p -123.21 148.63 45.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 74.519999999999996 110.881 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 567' ' ' LYS . . . . . . . . . . . . . 47.1 mtpt -135.34 -177.88 4.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 72.219999999999999 110.936 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 18.8 mmt85 -93.99 153.08 18.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 73.209999999999994 110.884 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 2.5 t -117.12 151.84 35.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 72.049999999999997 110.85 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -81.89 168.07 18.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.483 . . . . 53.100000000000001 110.819 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 9.6 tp -127.92 -64.72 0.95 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.067 -0.515 . . . . 74.049999999999997 110.88 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 69.5 m -128.35 171.55 11.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.428 . . . . 70.219999999999999 110.857 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 573' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -174.5 145.03 0.92 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 62.240000000000002 110.938 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 574' ' ' ARG . . . . . . . . . . . . . 23.4 mmt180 -141.71 136.0 30.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 73.549999999999997 110.845 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 46.2 ttp180 -174.05 146.64 1.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 71.340000000000003 110.911 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 576' ' ' ILE . . . . . 0.564 HG23 ' HG2' ' A' ' 577' ' ' ARG . 6.4 tt -117.77 -34.38 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 70.540000000000006 111.128 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 577' ' ' ARG . . . . . 0.564 ' HG2' HG23 ' A' ' 576' ' ' ILE . 17.2 mmm180 -97.15 -169.55 1.88 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 73.209999999999994 110.847 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 578' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -114.09 158.17 40.17 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.525 0.679 . . . . 73.439999999999998 110.849 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 156.92 62.08 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.716 2.277 . . . . 64.219999999999999 112.325 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 580' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -91.94 144.86 25.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 73.120000000000005 110.899 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 581' ' ' SER . . . . . 0.782 ' O ' HG12 ' A' ' 585' ' ' VAL . 1.4 m -72.23 157.73 37.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 70.409999999999997 110.894 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 582' ' ' VAL . . . . . . . . . . . . . 15.2 m -51.49 -38.72 21.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 72.519999999999996 111.13 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -69.58 -38.23 77.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 75.129999999999995 111.127 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 584' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -71.31 -55.25 8.41 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.157 -0.474 . . . . 70.010000000000005 110.9 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 585' ' ' VAL . . . . . 0.782 HG12 ' O ' ' A' ' 581' ' ' SER . 2.9 p -60.23 -33.31 53.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.15 -0.477 . . . . 73.540000000000006 111.076 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -50.91 -30.46 14.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 61.119999999999997 110.845 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 587' ' ' ALA . . . . . . . . . . . . . . . -78.85 -37.46 40.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 44.240000000000002 111.075 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 588' ' ' LEU . . . . . 0.457 ' O ' HG23 ' A' ' 592' ' ' VAL . 0.2 OUTLIER -56.54 -49.6 74.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 73.430000000000007 110.882 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 589' ' ' VAL . . . . . 0.512 HG22 HG22 ' A' ' 650' ' ' VAL . 25.4 t -69.37 -55.03 16.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 75.120000000000005 111.12 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 75.1 mt-10 -50.74 -43.0 57.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.223 -0.444 . . . . 74.349999999999994 110.896 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 591' ' ' ALA . . . . . 0.651 ' HB3' HG13 ' A' ' 603' ' ' VAL . . . -68.33 -40.11 81.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.47 . . . . 31.129999999999999 111.124 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 592' ' ' VAL . . . . . 0.465 HG11 ' CZ3' ' A' ' 623' ' ' TRP . 24.3 t -69.57 -26.78 31.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.259 -0.428 . . . . 73.340000000000003 111.127 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -73.91 -36.2 64.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 62.32 110.814 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 68.2 m80 -86.28 -47.61 9.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.188 -0.46 . . . . 72.209999999999994 110.855 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 595' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -80.07 -24.12 40.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.426 . . . . 75.450000000000003 110.908 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 596' ' ' GLY . . . . . . . . . . . . . . . 82.41 -175.31 53.57 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.717 -0.754 . . . . 72.549999999999997 112.461 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 7.2 p -93.57 24.91 3.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.815 0.34 . . . . 75.209999999999994 111.18 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 598' ' ' GLY . . . . . . . . . . . . . . . -122.91 -11.58 5.28 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.675 -0.774 . . . . 52.439999999999998 112.48 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 599' ' ' ARG . . . . . 0.513 ' O ' HG23 ' A' ' 603' ' ' VAL . 39.4 mtt-85 -125.61 76.87 1.61 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.783 0.325 . . . . 64.310000000000002 110.892 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 600' ' ' TRP . . . . . . . . . . . . . 4.6 m0 -69.42 -42.8 74.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 72.409999999999997 110.889 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 601' ' ' ARG . . . . . . . . . . . . . 9.9 ptm180 -52.89 -44.04 66.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.284 -0.416 . . . . 70.140000000000001 110.898 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 602' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -67.57 -38.38 83.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 62.409999999999997 110.87 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 603' ' ' VAL . . . . . 0.651 HG13 ' HB3' ' A' ' 591' ' ' ALA . 55.8 t -58.98 -38.88 76.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 71.129999999999995 111.197 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 28.7 tptt -72.06 -36.51 69.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 73.200000000000003 110.864 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 605' ' ' MET . . . . . 0.491 ' HA ' ' HB3' ' A' ' 611' ' ' ALA . 23.6 mtt -72.82 -34.86 67.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.274 -0.421 . . . . 61.119999999999997 110.925 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 606' ' ' ARG . . . . . . . . . . . . . 39.0 ttm-85 -81.09 -40.16 24.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.268 -0.423 . . . . 73.099999999999994 110.97 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -79.5 -67.13 0.79 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 71.540000000000006 111.074 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 608' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 -78.87 125.76 29.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.191 -0.459 . . . . 61.399999999999999 110.88 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -66.36 -33.85 76.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 72.430000000000007 110.842 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 28.0 p30 -101.59 66.81 1.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 73.549999999999997 110.896 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 611' ' ' ALA . . . . . 0.491 ' HB3' ' HA ' ' A' ' 605' ' ' MET . . . -110.32 30.34 6.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 75.549999999999997 111.078 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -52.75 -67.56 0.24 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.224 -0.444 . . . . 72.25 110.887 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 613' ' ' HIS . . . . . . . . . . . . . 70.9 m-70 -121.27 25.17 9.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 71.239999999999995 110.911 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 614' ' ' ARG . . . . . . . . . . . . . 9.4 mmp_? -72.47 156.4 39.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 72.349999999999994 110.881 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 615' ' ' THR . . . . . 0.603 ' OG1' HG12 ' A' ' 617' ' ' VAL . 9.2 t -74.41 166.13 24.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 75.319999999999993 111.109 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 616' ' ' TYR . . . . . . . . . . . . . 22.5 p90 -107.48 -17.84 14.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 73.420000000000002 110.881 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 617' ' ' VAL . . . . . 0.603 HG12 ' OG1' ' A' ' 615' ' ' THR . 11.1 p -70.18 -33.68 55.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 71.219999999999999 111.145 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 618' ' ' ASP . . . . . 0.436 ' HB2' HG23 ' A' ' 615' ' ' THR . 0.7 OUTLIER -51.98 -50.59 60.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 75.349999999999994 110.903 179.936 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 619' ' ' LEU . . . . . 0.599 HD13 HG11 ' A' ' 603' ' ' VAL . 1.1 pp -69.95 -25.77 63.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 74.019999999999996 110.95 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 620' ' ' LYS . . . . . . . . . . . . . 37.9 tptt -70.24 -37.0 74.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 74.0 110.934 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -71.71 -44.3 64.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 63.109999999999999 110.83 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.14 -39.6 82.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 75.099999999999994 110.941 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 623' ' ' TRP . . . . . 0.465 ' CZ3' HG11 ' A' ' 592' ' ' VAL . 15.3 t-105 -69.86 -46.27 65.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 75.030000000000001 110.93 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.65 -48.5 49.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.265 -0.425 . . . . 71.140000000000001 110.901 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 11.2 t -72.58 -28.2 62.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.25 -0.432 . . . . 74.329999999999998 111.19 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 626' ' ' LEU . . . . . 0.679 HD22 HG21 ' A' ' 650' ' ' VAL . 0.4 OUTLIER -63.86 -55.58 21.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 65.25 110.887 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 627' ' ' VAL . . . . . 0.649 ' O ' HD13 ' A' ' 632' ' ' ILE . 4.7 p -59.28 -44.97 93.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 74.209999999999994 111.165 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 628' ' ' HIS . . . . . 0.492 ' CD2' HG21 ' A' ' 632' ' ' ILE . 10.5 m170 -60.5 -27.36 67.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 73.430000000000007 110.799 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 629' ' ' THR . . . . . . . . . . . . . 10.7 m -76.06 -29.43 58.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 71.150000000000006 111.107 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 630' ' ' ALA . . . . . 0.653 ' HA ' HD13 ' A' ' 647' ' ' LEU . . . -53.13 -49.29 66.85 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.253 -0.43 . . . . 74.230000000000004 111.143 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 631' ' ' SER . . . . . 0.727 ' C ' HD12 ' A' ' 632' ' ' ILE . 0.4 OUTLIER 170.28 68.79 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 70.420000000000002 110.831 -179.841 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 632' ' ' ILE . . . . . 0.727 HD12 ' C ' ' A' ' 631' ' ' SER . 2.5 mp -130.57 -75.84 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 73.439999999999998 111.116 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 633' ' ' ALA . . . . . 0.588 ' HB3' ' HB2' ' A' ' 636' ' ' GLN . . . -103.79 135.22 19.39 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.561 0.696 . . . . 63.039999999999999 111.152 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 634' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -40.04 5.91 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.712 2.274 . . . . 64.099999999999994 112.357 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 635' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -77.79 -13.34 59.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 72.409999999999997 110.919 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 636' ' ' GLN . . . . . 0.588 ' HB2' ' HB3' ' A' ' 633' ' ' ALA . 12.3 mm100 -80.49 -0.97 39.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 53.450000000000003 110.911 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 637' ' ' ARG . . . . . . . . . . . . . 13.7 ptt180 -61.85 114.69 3.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.46 . . . . 74.040000000000006 110.845 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 638' ' ' ARG . . . . . . . . . . . . . 4.9 mtm180 -64.92 -14.66 60.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 73.200000000000003 110.926 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 639' ' ' GLY . . . . . . . . . . . . . . . 82.94 -54.6 4.98 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.727 -0.749 . . . . 32.149999999999999 112.458 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 640' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -52.31 154.4 4.3 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.7 0.762 . . . . 74.310000000000002 110.873 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 121.83 8.52 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.665 2.243 . . . . 73.439999999999998 112.374 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 642' ' ' VAL . . . . . 0.718 HG21 HD11 ' A' ' 647' ' ' LEU . 13.6 m -121.01 140.11 30.38 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.618 0.723 . . . . 71.319999999999993 111.081 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 128.88 16.7 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.617 2.211 . . . . 50.409999999999997 112.389 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -63.19 -16.83 61.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 74.430000000000007 110.897 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -70.23 -39.19 75.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.247 -0.433 . . . . 61.240000000000002 110.865 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 646' ' ' LEU . . . . . 0.66 ' O ' HG23 ' A' ' 650' ' ' VAL . 53.4 mt -75.19 -52.17 11.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 72.439999999999998 110.892 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 647' ' ' LEU . . . . . 0.718 HD11 HG21 ' A' ' 642' ' ' VAL . 47.3 mt -51.54 -34.54 36.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 72.099999999999994 110.969 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.96 -46.71 56.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 62.340000000000003 110.83 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 36.7 mmt-85 -65.27 -35.66 81.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 74.5 110.884 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 650' ' ' VAL . . . . . 0.679 HG21 HD22 ' A' ' 626' ' ' LEU . 97.0 t -64.07 -51.88 63.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 72.209999999999994 111.116 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 651' ' ' LEU . . . . . 0.7 HD21 HD11 ' A' ' 632' ' ' ILE . 12.7 mt -61.69 -26.54 68.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 72.310000000000002 110.887 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -66.17 -49.32 67.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 54.539999999999999 111.153 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -74.12 -43.81 56.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 73.530000000000001 111.152 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 654' ' ' HIS . . . . . 0.531 ' CG ' HG21 ' A' ' 627' ' ' VAL . 26.8 t-80 -57.52 -42.91 83.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 64.230000000000004 110.84 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 655' ' ' ALA . . . . . 0.533 ' O ' HG12 ' A' ' 666' ' ' VAL . . . -76.94 -46.82 22.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 64.349999999999994 111.101 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -56.48 -49.61 74.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.275 -0.42 . . . . 74.219999999999999 110.963 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 657' ' ' TRP . . . . . . . . . . . . . 72.1 m95 -70.58 -30.34 67.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.115 -0.493 . . . . 75.540000000000006 110.968 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 9.0 t -59.61 -36.41 76.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.224 -0.444 . . . . 74.310000000000002 110.86 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 659' ' ' GLN . . . . . 0.753 ' HB2' HG11 ' A' ' 666' ' ' VAL . 42.7 tt0 -56.99 -25.93 59.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 72.140000000000001 110.977 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -69.13 -38.96 79.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 72.329999999999998 110.92 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 23.8 mm-40 -100.4 -74.49 0.6 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.434 . . . . 71.319999999999993 110.974 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 662' ' ' GLY . . . . . . . . . . . . . . . -100.69 -151.88 25.65 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.762 -0.733 . . . . 73.200000000000003 112.538 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 31.2 tttp -166.41 119.89 1.08 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.709 0.29 . . . . 72.540000000000006 110.963 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 42.0 mm-40 -136.35 -52.0 0.71 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 75.109999999999999 110.913 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 665' ' ' HIS . . . . . . . . . . . . . 4.7 t-80 -174.81 102.76 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 73.329999999999998 110.843 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 666' ' ' VAL . . . . . 0.753 HG11 ' HB2' ' A' ' 659' ' ' GLN . 28.5 m -109.13 176.3 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 74.299999999999997 111.162 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -130.72 160.54 65.93 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.636 0.731 . . . . 73.340000000000003 110.879 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 668' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 84.69 0.65 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.623 2.215 . . . . 74.430000000000007 112.337 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 669' ' ' LEU . . . . . . . . . . . . . 5.7 tp -161.53 158.01 25.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 60.439999999999998 110.85 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 670' ' ' LYS . . . . . . . . . . . . . 32.7 mtmm -146.42 159.69 43.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 63.140000000000001 110.949 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 671' ' ' ILE . . . . . . . . . . . . . 13.9 pt -148.91 -177.36 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 63.299999999999997 111.132 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -150.6 176.86 10.59 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.183 -0.462 . . . . 54.210000000000001 110.926 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 673' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -150.8 165.82 32.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 54.340000000000003 110.904 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -174.3 148.18 1.25 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 75.519999999999996 111.083 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 13.5 ptmt -109.54 173.98 6.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.469 . . . . 75.420000000000002 110.85 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . -124.4 -175.24 3.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 54.329999999999998 111.097 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 46.1 tp60 -140.54 126.56 19.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 70.25 110.921 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 678' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.29 106.71 7.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 61.520000000000003 110.871 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 679' ' ' VAL . . . . . . . . . . . . . 7.5 p -107.71 137.19 40.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 72.519999999999996 111.171 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 680' ' ' GLY . . . . . . . . . . . . . . . -107.83 -125.36 5.29 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.84 -0.695 . . . . 74.519999999999996 112.437 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 681' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-O 120.72 0.295 . . . . 64.230000000000004 111.035 -179.951 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 561' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 N--CA 1.465 -0.17 0 CA-C-O 120.864 0.277 . . . . 51.219999999999999 112.341 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 562' ' ' VAL . . . . . . . . . . . . . 7.3 p -173.13 124.88 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.167 -0.469 . . . . 73.340000000000003 111.061 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 563' ' ' ASN . . . . . . . . . . . . . 9.3 p-10 -170.57 143.05 2.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 75.530000000000001 110.864 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 4.5 pp0? -123.2 173.76 7.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.161 -0.472 . . . . 73.319999999999993 110.905 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 565' ' ' LYS . . . . . . . . . . . . . 51.5 mmtt -150.03 147.74 28.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 74.439999999999998 110.868 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 68.0 m -127.1 147.87 50.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 72.310000000000002 110.86 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 567' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.67 130.11 13.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.5 . . . . 75.340000000000003 110.851 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 27.5 ptt180 -174.02 140.94 0.74 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 71.519999999999996 110.883 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 2.8 m -116.6 127.46 54.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.484 . . . . 71.25 110.878 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -152.77 -176.78 5.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.11 -0.495 . . . . 65.129999999999995 110.873 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 7.0 tp 62.97 34.32 14.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 71.340000000000003 110.964 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 7.2 m -137.11 91.78 2.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 62.399999999999999 110.895 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 573' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.72 125.53 23.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.157 -0.474 . . . . 74.5 110.883 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 574' ' ' ARG . . . . . . . . . . . . . 12.1 ttt180 -178.6 -177.43 0.53 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 75.340000000000003 110.868 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 90.4 mtt180 -77.61 60.4 2.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 74.129999999999995 110.874 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 576' ' ' ILE . . . . . . . . . . . . . 4.8 tt -112.51 151.28 14.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.158 -0.474 . . . . 75.439999999999998 111.176 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 5.5 tpp85 -51.93 161.06 0.62 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 72.510000000000005 110.868 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 578' ' ' ARG . . . . . . . . . . . . . 2.8 ptt180 -113.51 157.45 41.32 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.665 0.745 . . . . 55.409999999999997 110.86 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 93.86 0.52 Allowed 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 122.692 2.261 . . . . 74.129999999999995 112.383 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 580' ' ' PHE . . . . . . . . . . . . . 8.7 p90 -92.68 139.6 30.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.43 . . . . 75.450000000000003 110.903 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 9.3 m -109.51 -179.51 3.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.125 -0.489 . . . . 71.219999999999999 110.839 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 582' ' ' VAL . . . . . . . . . . . . . 92.2 t -54.46 -38.14 40.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 75.200000000000003 111.167 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -69.31 -47.57 64.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 52.439999999999998 111.102 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 584' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -63.2 -54.8 31.83 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.242 -0.436 . . . . 72.219999999999999 110.893 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 585' ' ' VAL . . . . . 0.604 ' O ' HG12 ' A' ' 589' ' ' VAL . 59.7 t -57.53 -34.31 46.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 75.0 111.084 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 586' ' ' GLU . . . . . 0.45 ' HG2' HD21 ' A' ' 646' ' ' LEU . 7.2 mt-10 -59.96 -42.39 93.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 74.219999999999999 110.878 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 587' ' ' ALA . . . . . . . . . . . . . . . -69.05 -33.93 74.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 54.229999999999997 111.169 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 588' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.42 -55.13 12.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 53.140000000000001 110.948 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 589' ' ' VAL . . . . . 0.973 HG11 HD22 ' A' ' 646' ' ' LEU . 4.7 p -62.33 -47.63 92.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 75.109999999999999 111.124 179.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 590' ' ' GLU . . . . . 0.49 ' N ' HG13 ' A' ' 589' ' ' VAL . 95.6 mt-10 -59.18 -29.07 67.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 72.329999999999998 110.831 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 591' ' ' ALA . . . . . 0.62 ' HB3' HG13 ' A' ' 603' ' ' VAL . . . -74.44 -43.53 55.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 63.240000000000002 111.03 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 592' ' ' VAL . . . . . 0.444 HG23 ' HA ' ' A' ' 597' ' ' THR . 7.3 p -76.28 -25.92 16.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.279 -0.419 . . . . 72.530000000000001 111.181 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 593' ' ' GLU . . . . . 0.526 ' OE1' ' HB2' ' A' ' 653' ' ' ALA . 0.2 OUTLIER -73.02 -41.64 64.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.131 -0.486 . . . . 73.109999999999999 110.875 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 14.4 t60 -84.36 -46.86 11.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 72.340000000000003 110.869 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 595' ' ' LEU . . . . . 0.583 HD11 ' CB ' ' A' ' 606' ' ' ARG . 12.5 mt -79.74 -17.57 53.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 71.349999999999994 110.869 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 596' ' ' GLY . . . . . . . . . . . . . . . 85.12 164.61 38.93 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.797 -0.716 . . . . 74.329999999999998 112.49 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 597' ' ' THR . . . . . 0.444 ' HA ' HG23 ' A' ' 592' ' ' VAL . 0.7 OUTLIER -74.47 -5.73 44.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.839 0.352 . . . . 62.299999999999997 111.119 -179.88 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 598' ' ' GLY . . . . . . . . . . . . . . . -101.34 20.1 48.39 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.782 -0.723 . . . . 71.209999999999994 112.476 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 599' ' ' ARG . . . . . 0.736 ' O ' HG23 ' A' ' 603' ' ' VAL . 8.0 mtp180 -139.75 64.05 1.47 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.824 0.345 . . . . 73.450000000000003 110.885 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 600' ' ' TRP . . . . . . . . . . . . . 16.5 m0 -60.72 -50.26 74.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 72.219999999999999 110.876 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 601' ' ' ARG . . . . . . . . . . . . . 25.8 mmm-85 -53.08 -43.28 66.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 72.310000000000002 110.873 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 602' ' ' ASP . . . . . 0.548 ' C ' HD13 ' A' ' 595' ' ' LEU . 1.9 m-20 -67.83 -31.05 70.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 73.209999999999994 110.943 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 603' ' ' VAL . . . . . 0.736 HG23 ' O ' ' A' ' 599' ' ' ARG . 70.5 t -66.47 -34.64 71.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 75.25 111.148 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 16.4 tptp -71.97 -44.64 63.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 71.450000000000003 110.87 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 605' ' ' MET . . . . . . . . . . . . . 23.0 mmm -72.92 -31.54 64.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.214 -0.448 . . . . 55.43 110.845 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 606' ' ' ARG . . . . . 0.583 ' CB ' HD11 ' A' ' 595' ' ' LEU . 7.3 ttm-85 -77.71 -40.64 40.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 75.340000000000003 110.833 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -86.92 -70.84 0.59 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 74.400000000000006 111.068 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 608' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -71.32 127.39 32.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 75.420000000000002 110.882 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -70.66 -33.97 71.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.067 -0.515 . . . . 54.549999999999997 110.892 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 53.1 t-20 -102.44 73.89 1.35 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 74.030000000000001 110.884 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 611' ' ' ALA . . . . . . . . . . . . . . . -121.35 59.98 0.95 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 65.409999999999997 111.091 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -89.07 -72.53 0.54 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 50.310000000000002 110.801 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 613' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -111.36 27.61 9.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.267 -0.424 . . . . 74.439999999999998 110.84 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 614' ' ' ARG . . . . . . . . . . . . . 18.1 tpt180 -89.8 156.28 18.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 63.149999999999999 110.858 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 615' ' ' THR . . . . . 0.532 ' OG1' HG12 ' A' ' 617' ' ' VAL . 4.6 t -74.35 160.31 31.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 70.329999999999998 111.104 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 616' ' ' TYR . . . . . . . . . . . . . 15.8 p90 -100.17 0.47 40.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 60.340000000000003 110.912 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 617' ' ' VAL . . . . . 0.532 HG12 ' OG1' ' A' ' 615' ' ' THR . 12.0 p -71.75 -33.6 49.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 63.530000000000001 111.096 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 618' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.69 -50.66 71.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.271 -0.422 . . . . 73.030000000000001 110.877 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 619' ' ' LEU . . . . . 0.487 HD13 ' CG1' ' A' ' 603' ' ' VAL . 1.1 pp -66.89 -28.22 68.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 74.129999999999995 110.993 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 620' ' ' LYS . . . . . . . . . . . . . 39.3 mtpt -68.06 -35.08 77.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 75.209999999999994 110.922 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -71.6 -49.8 36.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 73.239999999999995 110.871 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 18.3 mtmt -55.03 -41.76 71.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 72.129999999999995 110.876 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 623' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -68.65 -49.61 57.75 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.244 -0.435 . . . . 73.319999999999993 110.933 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -52.26 -53.81 39.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.264 -0.426 . . . . 73.040000000000006 110.88 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 14.8 t -62.04 -29.23 70.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 61.420000000000002 111.154 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 626' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.92 -53.96 45.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 72.25 110.928 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 627' ' ' VAL . . . . . 0.597 ' O ' HD13 ' A' ' 632' ' ' ILE . 55.0 t -59.08 -54.62 31.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 71.219999999999999 111.154 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 628' ' ' HIS . . . . . 0.534 ' HA ' HD13 ' A' ' 632' ' ' ILE . 0.3 OUTLIER -53.09 -29.03 28.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 75.340000000000003 110.886 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 629' ' ' THR . . . . . . . . . . . . . 24.1 m -74.62 -30.06 61.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 73.409999999999997 111.186 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 630' ' ' ALA . . . . . 0.675 ' HA ' HD13 ' A' ' 647' ' ' LEU . . . -54.04 -50.13 67.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 72.340000000000003 111.019 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 631' ' ' SER . . . . . 0.711 ' C ' HD12 ' A' ' 632' ' ' ILE . 11.5 t 173.2 69.06 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 71.230000000000004 110.915 -179.758 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 632' ' ' ILE . . . . . 0.711 HD12 ' C ' ' A' ' 631' ' ' SER . 2.6 mp -129.73 -75.95 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 74.409999999999997 111.084 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 633' ' ' ALA . . . . . 0.612 ' HB3' ' CG ' ' A' ' 636' ' ' GLN . . . -103.58 142.53 24.77 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.557 0.694 . . . . 75.209999999999994 111.117 179.792 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 634' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -45.63 1.51 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.67 2.247 . . . . 44.119999999999997 112.353 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 635' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -72.27 -13.33 61.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 74.239999999999995 110.905 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 636' ' ' GLN . . . . . 0.612 ' CG ' ' HB3' ' A' ' 633' ' ' ALA . 66.4 mm-40 -80.38 -1.64 42.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.447 . . . . 64.109999999999999 110.928 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 637' ' ' ARG . . . . . . . . . . . . . 3.7 tpt180 -84.32 114.24 21.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 72.420000000000002 110.905 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 638' ' ' ARG . . . . . . . . . . . . . 6.5 tpm_? -75.92 145.25 40.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 53.200000000000003 110.855 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 639' ' ' GLY . . . . . . . . . . . . . . . -51.3 -52.32 32.73 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.77 -0.728 . . . . 75.200000000000003 112.508 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 640' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -53.02 137.04 47.33 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.611 0.719 . . . . 72.120000000000005 110.904 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 122.05 8.72 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.716 2.277 . . . . 73.510000000000005 112.243 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 642' ' ' VAL . . . . . 0.73 HG21 HD11 ' A' ' 647' ' ' LEU . 19.8 m -100.34 139.67 20.85 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-O 121.625 0.726 . . . . 65.230000000000004 111.138 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.91 129.47 17.49 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.617 2.212 . . . . 73.439999999999998 112.322 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 11.9 tm0? -61.43 -18.39 58.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.469 . . . . 74.049999999999997 110.932 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -65.45 -40.65 93.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 74.219999999999999 110.913 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 646' ' ' LEU . . . . . 0.973 HD22 HG11 ' A' ' 589' ' ' VAL . 62.5 mt -75.37 -53.08 9.32 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.192 -0.458 . . . . 62.520000000000003 110.892 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 647' ' ' LEU . . . . . 0.73 HD11 HG21 ' A' ' 642' ' ' VAL . 52.2 mt -53.32 -42.85 67.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 63.5 110.912 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -72.56 -30.21 64.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 73.349999999999994 110.853 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 3.1 mmt-85 -71.39 -48.77 47.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 63.020000000000003 110.847 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 650' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -62.42 -33.2 58.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 62.530000000000001 111.142 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 1.1 mp -71.38 -36.28 71.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 63.109999999999999 110.941 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -62.4 -46.1 90.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 71.409999999999997 111.167 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 653' ' ' ALA . . . . . 0.526 ' HB2' ' OE1' ' A' ' 593' ' ' GLU . . . -75.61 -48.98 19.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 73.219999999999999 111.083 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 654' ' ' HIS . . . . . . . . . . . . . 37.6 t-80 -53.31 -41.09 65.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 73.230000000000004 110.906 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -77.2 -46.85 21.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 72.129999999999995 111.07 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 76.3 t80 -55.26 -49.56 71.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 74.200000000000003 110.976 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 657' ' ' TRP . . . . . . . . . . . . . 60.8 m95 -70.44 -36.35 73.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.491 . . . . 75.129999999999995 110.961 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 1.8 t -53.86 -34.94 60.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 71.400000000000006 110.867 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 659' ' ' GLN . . . . . . . . . . . . . 36.5 mm-40 -57.02 -23.98 50.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.089 -0.505 . . . . 74.420000000000002 110.955 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 42.8 tt0 -110.06 -61.54 1.64 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.113 -0.494 . . . . 73.329999999999998 110.923 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 24.8 mm-40 -81.52 -176.9 6.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 71.430000000000007 110.926 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 662' ' ' GLY . . . . . . . . . . . . . . . -142.7 173.83 23.79 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.714 -0.755 . . . . 75.519999999999996 112.475 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 57.2 tptt -176.33 138.45 0.32 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.662 0.268 . . . . 72.319999999999993 110.903 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -67.33 115.85 7.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.29 -0.414 . . . . 74.299999999999997 110.867 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 665' ' ' HIS . . . . . . . . . . . . . 1.5 p80 -179.28 160.75 1.04 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 74.239999999999995 110.846 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 666' ' ' VAL . . . . . 0.416 HG13 ' O ' ' A' ' 666' ' ' VAL . 4.5 p -115.11 118.0 57.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 73.120000000000005 111.124 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -136.04 160.6 66.61 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.611 0.72 . . . . 71.519999999999996 110.887 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 668' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -174.51 0.93 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.638 2.225 . . . . 63.229999999999997 112.302 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 669' ' ' LEU . . . . . 0.497 ' O ' HD12 ' A' ' 669' ' ' LEU . 3.9 pp -106.59 129.02 54.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 52.210000000000001 110.94 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 670' ' ' LYS . . . . . . . . . . . . . 39.0 tttt -169.63 128.22 0.95 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 74.209999999999994 110.906 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 671' ' ' ILE . . . . . . . . . . . . . 10.6 tp -175.26 135.53 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 71.510000000000005 111.18 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 9.3 tp -128.4 115.11 17.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 71.299999999999997 110.939 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 673' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -152.19 148.65 27.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 74.140000000000001 110.817 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -137.37 152.91 50.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 61.119999999999997 111.051 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.15 120.08 19.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 63.200000000000003 110.906 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . -115.24 158.41 22.35 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.195 -0.457 . . . . 43.439999999999998 111.116 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 47.2 tt0 -172.42 129.45 0.56 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.275 -0.42 . . . . 72.540000000000006 110.858 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 678' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.59 104.06 16.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 71.510000000000005 110.964 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 679' ' ' VAL . . . . . . . . . . . . . 42.8 t -92.12 110.89 23.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.215 -0.448 . . . . 72.310000000000002 111.1 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 680' ' ' GLY . . . . . . . . . . . . . . . -110.09 -170.81 20.0 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.772 -0.728 . . . . 33.109999999999999 112.488 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 681' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-O 120.757 0.313 . . . . 75.239999999999995 111.138 179.992 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 561' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--O 1.231 0.142 0 CA-C-O 120.804 0.252 . . . . 60.310000000000002 112.338 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 562' ' ' VAL . . . . . . . . . . . . . 7.6 p -175.93 126.16 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 40.25 111.057 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 563' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -170.12 158.74 7.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 72.239999999999995 110.897 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.69 166.35 22.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 71.010000000000005 110.841 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 565' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -142.87 137.71 29.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 74.420000000000002 110.937 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 1.8 m -126.79 148.52 49.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 63.450000000000003 110.896 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 567' ' ' LYS . . . . . . . . . . . . . 7.6 tptm -146.52 132.62 19.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 74.019999999999996 110.873 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 24.5 mtp180 -156.8 114.06 3.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 65.140000000000001 110.901 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 38.6 p -91.72 125.77 36.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 54.32 110.886 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 20.0 mp0 -154.45 134.63 13.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 63.219999999999999 110.89 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -164.74 178.85 6.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 73.150000000000006 110.886 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -141.49 -169.84 2.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 74.030000000000001 110.835 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 573' ' ' GLN . . . . . . . . . . . . . 26.2 mp0 -143.25 148.89 37.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.1 -0.5 . . . . 74.519999999999996 110.872 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 574' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -143.4 179.1 7.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 75.420000000000002 110.841 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 74.1 mtt180 -124.49 92.84 3.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 71.239999999999995 110.862 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 576' ' ' ILE . . . . . 0.691 HD11 ' HB3' ' A' ' 624' ' ' LYS . 7.9 pt -151.49 142.48 16.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 63.229999999999997 111.147 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 58.6 mtm180 -155.77 121.45 4.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 73.099999999999994 110.914 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 578' ' ' ARG . . . . . . . . . . . . . 10.1 tpp180 -120.27 134.75 24.13 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.602 0.715 . . . . 73.310000000000002 110.883 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 75.28 1.22 Allowed 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 122.701 2.268 . . . . 71.510000000000005 112.363 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 580' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -92.63 137.75 32.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 62.340000000000003 110.864 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 20.3 m -76.73 158.27 31.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 44.329999999999998 110.888 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 582' ' ' VAL . . . . . . . . . . . . . 97.9 t -51.77 -29.62 10.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 71.109999999999999 111.167 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -69.15 -45.29 70.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 75.230000000000004 111.107 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 584' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -68.22 -53.91 21.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 62.240000000000002 110.828 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 585' ' ' VAL . . . . . 0.795 HG13 HD11 ' A' ' 626' ' ' LEU . 38.4 t -54.31 -34.45 27.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.477 . . . . 64.409999999999997 111.134 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 586' ' ' GLU . . . . . 0.574 ' HG3' HD11 ' A' ' 646' ' ' LEU . 18.6 mt-10 -62.0 -51.69 67.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 70.200000000000003 110.894 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 587' ' ' ALA . . . . . . . . . . . . . . . -65.13 -40.89 95.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 71.120000000000005 111.146 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 588' ' ' LEU . . . . . 0.447 ' O ' HG23 ' A' ' 592' ' ' VAL . 0.2 OUTLIER -58.32 -54.24 49.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 75.420000000000002 110.913 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 589' ' ' VAL . . . . . 0.517 HG21 ' HB3' ' A' ' 646' ' ' LEU . 58.3 t -65.92 -54.32 28.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.137 -0.483 . . . . 65.109999999999999 111.101 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -50.61 -47.38 58.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.133 -0.485 . . . . 61.219999999999999 110.905 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 591' ' ' ALA . . . . . 0.635 ' HB3' HG13 ' A' ' 603' ' ' VAL . . . -66.12 -38.04 87.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.088 -0.505 . . . . 45.409999999999997 111.116 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 592' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 588' ' ' LEU . 13.0 t -69.56 -26.99 32.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 74.030000000000001 111.123 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.7 -36.53 65.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.451 . . . . 75.319999999999993 110.953 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -85.63 -47.53 9.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 63.310000000000002 110.885 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 595' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -79.84 -24.25 41.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.208 -0.451 . . . . 75.430000000000007 110.931 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 596' ' ' GLY . . . . . . . . . . . . . . . 83.05 -174.48 52.67 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.699 -0.762 . . . . 52.030000000000001 112.502 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 1.9 p -93.64 23.4 4.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.837 0.351 . . . . 63.32 111.131 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 598' ' ' GLY . . . . . . . . . . . . . . . -122.11 -13.67 4.83 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.736 -0.745 . . . . 74.019999999999996 112.474 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 599' ' ' ARG . . . . . 0.587 ' O ' HG23 ' A' ' 603' ' ' VAL . 18.4 mtt180 -119.75 78.13 1.3 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.84 0.352 . . . . 73.409999999999997 110.882 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 600' ' ' TRP . . . . . . . . . . . . . 2.7 m0 -68.71 -50.16 53.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 72.010000000000005 110.911 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 601' ' ' ARG . . . . . . . . . . . . . 90.9 mtt180 -52.86 -40.98 63.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 71.319999999999993 110.868 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 602' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -68.07 -30.41 69.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 60.119999999999997 110.872 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 603' ' ' VAL . . . . . 0.635 HG13 ' HB3' ' A' ' 591' ' ' ALA . 52.6 t -72.8 -32.54 40.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 74.109999999999999 111.143 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 6.2 ttpm? -71.4 -41.96 68.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 75.409999999999997 110.875 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 605' ' ' MET . . . . . . . . . . . . . 19.9 ptp -72.87 -31.57 64.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 65.109999999999999 110.908 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 606' ' ' ARG . . . . . . . . . . . . . 2.9 ttt85 -80.63 -40.63 25.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 63.5 110.857 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -80.25 -68.95 0.63 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 61.439999999999998 111.107 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 608' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 -72.08 124.71 25.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 65.409999999999997 110.81 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -72.37 -34.18 67.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 53.530000000000001 110.865 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 37.7 m-20 -115.62 81.62 1.62 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 61.299999999999997 110.865 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 611' ' ' ALA . . . . . . . . . . . . . . . -141.81 76.74 1.55 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 72.099999999999994 111.113 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -97.63 -63.97 1.08 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.286 -0.415 . . . . 71.129999999999995 110.876 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 613' ' ' HIS . . . . . . . . . . . . . 15.4 m-70 -95.83 27.06 3.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 72.349999999999994 110.83 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 614' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.47 156.06 16.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 75.140000000000001 110.886 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 615' ' ' THR . . . . . 0.621 ' OG1' HG12 ' A' ' 617' ' ' VAL . 15.3 t -74.27 161.52 29.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 61.229999999999997 111.15 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 616' ' ' TYR . . . . . . . . . . . . . 24.6 p90 -105.07 -14.0 15.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.465 . . . . 73.049999999999997 110.924 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 617' ' ' VAL . . . . . 0.621 HG12 ' OG1' ' A' ' 615' ' ' THR . 10.1 p -71.45 -33.62 50.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.097 -0.502 . . . . 74.439999999999998 111.111 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 618' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -51.5 -50.74 59.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 70.010000000000005 110.924 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 619' ' ' LEU . . . . . . . . . . . . . 1.2 pp -60.58 -26.13 66.73 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.207 -0.451 . . . . 62.409999999999997 110.842 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 620' ' ' LYS . . . . . . . . . . . . . 9.6 ttmt -71.0 -34.22 71.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 64.310000000000002 110.93 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -71.23 -41.02 70.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 72.340000000000003 110.867 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 9.6 mmtt -66.4 -33.64 76.16 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.232 -0.44 . . . . 64.129999999999995 110.858 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 623' ' ' TRP . . . . . . . . . . . . . 1.1 t90 -69.18 -52.1 31.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.22 -0.446 . . . . 73.420000000000002 110.976 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 624' ' ' LYS . . . . . 0.691 ' HB3' HD11 ' A' ' 576' ' ' ILE . 0.2 OUTLIER -50.75 -54.94 19.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.284 -0.416 . . . . 71.109999999999999 110.903 179.863 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 7.2 t -59.86 -32.22 70.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.273 -0.421 . . . . 71.129999999999995 111.176 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 626' ' ' LEU . . . . . 0.795 HD11 HG13 ' A' ' 585' ' ' VAL . 0.3 OUTLIER -60.74 -53.67 54.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 44.219999999999999 110.935 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 627' ' ' VAL . . . . . 0.595 ' O ' HD13 ' A' ' 632' ' ' ILE . 76.4 t -54.43 -52.13 42.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 75.299999999999997 111.101 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 628' ' ' HIS . . . . . 0.515 ' CE1' HG21 ' A' ' 632' ' ' ILE . 1.6 m-70 -52.35 -34.66 48.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 75.400000000000006 110.851 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 629' ' ' THR . . . . . . . . . . . . . 19.7 m -71.06 -29.43 65.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 55.109999999999999 111.145 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 630' ' ' ALA . . . . . 0.649 ' HA ' HD13 ' A' ' 647' ' ' LEU . . . -54.4 -49.94 68.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.249 -0.432 . . . . 75.129999999999995 111.085 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 631' ' ' SER . . . . . 0.727 ' C ' HD12 ' A' ' 632' ' ' ILE . 11.6 t 173.61 68.76 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.216 -0.447 . . . . 62.43 110.888 -179.748 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 632' ' ' ILE . . . . . 0.727 HD12 ' C ' ' A' ' 631' ' ' SER . 2.2 mp -128.52 -74.33 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 75.439999999999998 111.123 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 633' ' ' ALA . . . . . 0.527 ' HB3' ' CG ' ' A' ' 636' ' ' GLN . . . -103.27 136.34 19.24 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.577 0.703 . . . . 72.25 111.106 179.78 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 634' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -36.35 11.07 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.79 2.327 . . . . 74.129999999999995 112.316 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 635' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -77.02 -13.19 59.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.25 -0.432 . . . . 75.239999999999995 110.92 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 636' ' ' GLN . . . . . 0.527 ' CG ' ' HB3' ' A' ' 633' ' ' ALA . 10.3 mm100 -80.15 -28.63 38.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 74.209999999999994 110.948 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 637' ' ' ARG . . . . . . . . . . . . . 73.2 ttt-85 -84.43 113.39 21.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 72.420000000000002 110.883 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 638' ' ' ARG . . . . . . . . . . . . . 24.8 tpt85 -174.9 157.99 2.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 71.329999999999998 110.901 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 639' ' ' GLY . . . . . . . . . . . . . . . 97.76 -157.56 20.73 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.752 -0.737 . . . . 72.420000000000002 112.453 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 640' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -51.52 160.69 0.95 Allowed Pre-proline 0 C--N 1.33 -0.242 0 CA-C-O 121.678 0.751 . . . . 74.129999999999995 110.838 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 122.12 8.81 Favored 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.646 2.231 . . . . 63.25 112.306 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 642' ' ' VAL . . . . . 0.496 HG23 ' HD2' ' A' ' 643' ' ' PRO . 4.4 p -91.98 134.41 28.81 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.587 0.708 . . . . 75.25 111.177 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 643' ' ' PRO . . . . . 0.496 ' HD2' HG23 ' A' ' 642' ' ' VAL . 54.5 Cg_endo -69.8 128.87 16.61 Favored 'Trans proline' 0 C--N 1.34 0.131 0 C-N-CA 122.739 2.293 . . . . 73.5 112.332 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -67.36 -20.63 65.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 74.129999999999995 110.915 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -65.38 -42.82 92.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 71.129999999999995 110.921 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 646' ' ' LEU . . . . . 0.574 HD11 ' HG3' ' A' ' 586' ' ' GLU . 26.9 mt -75.39 -40.17 58.24 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.187 -0.461 . . . . 74.219999999999999 110.903 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 647' ' ' LEU . . . . . 0.649 HD13 ' HA ' ' A' ' 630' ' ' ALA . 50.6 mt -68.07 -37.95 81.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 74.319999999999993 110.935 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 39.5 t0 -73.07 -30.69 63.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.187 -0.461 . . . . 75.219999999999999 110.897 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 11.0 mmp_? -74.96 -49.19 20.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.168 -0.469 . . . . 73.329999999999998 110.875 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 650' ' ' VAL . . . . . . . . . . . . . 1.4 p -60.34 -33.13 52.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 55.329999999999998 111.1 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 651' ' ' LEU . . . . . 0.516 ' CD1' ' HB1' ' A' ' 630' ' ' ALA . 15.4 mt -70.98 -43.06 68.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.455 . . . . 72.400000000000006 110.853 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -61.63 -42.14 98.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 32.119999999999997 111.118 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -75.81 -45.54 35.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 64.319999999999993 111.106 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 654' ' ' HIS . . . . . . . . . . . . . 46.3 t60 -54.7 -47.83 73.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 72.340000000000003 110.863 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -67.1 -46.68 73.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 73.340000000000003 111.05 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -56.87 -49.51 75.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 70.439999999999998 110.87 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 657' ' ' TRP . . . . . . . . . . . . . 61.6 m95 -70.39 -38.16 74.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 72.319999999999993 110.939 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 2.9 m -53.81 -33.48 56.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.267 -0.424 . . . . 53.439999999999998 110.845 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 659' ' ' GLN . . . . . . . . . . . . . 43.0 mm-40 -57.02 -23.44 46.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 72.439999999999998 110.87 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 10.7 mp0 -93.67 -65.77 0.97 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 74.150000000000006 110.838 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -175.63 176.24 1.94 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 64.109999999999999 110.955 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 662' ' ' GLY . . . . . . . . . . . . . . . -150.25 -167.62 14.54 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.689 -0.767 . . . . 74.200000000000003 112.453 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 44.6 mttm -153.79 -176.61 5.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.736 0.303 . . . . 72.409999999999997 110.909 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 23.6 tm0? -161.26 158.22 26.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.456 . . . . 75.430000000000007 110.896 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 665' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -172.84 166.29 5.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 72.430000000000007 110.866 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 666' ' ' VAL . . . . . . . . . . . . . 26.2 m -86.32 175.8 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 61.329999999999998 111.139 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -135.73 157.31 76.42 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.583 0.706 . . . . 61.020000000000003 110.891 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 668' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -171.14 0.44 Allowed 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.667 2.245 . . . . 43.25 112.334 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 669' ' ' LEU . . . . . 0.482 HD12 ' N ' ' A' ' 670' ' ' LYS . 4.2 pp -113.38 -175.4 2.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 75.439999999999998 110.971 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 670' ' ' LYS . . . . . 0.482 ' N ' HD12 ' A' ' 669' ' ' LEU . 11.5 tptp -170.08 155.38 5.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.227 -0.442 . . . . 63.409999999999997 110.867 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 671' ' ' ILE . . . . . . . . . . . . . 55.0 mt -142.58 147.22 21.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 75.409999999999997 111.172 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 3.4 tp -156.15 161.06 40.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.223 -0.444 . . . . 75.340000000000003 110.92 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 673' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -164.18 160.31 21.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 62.43 110.953 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -175.91 -176.22 0.81 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 65.430000000000007 111.021 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 8.1 ptpp? -153.7 -174.01 4.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 64.310000000000002 110.93 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . -147.65 -175.72 4.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.462 . . . . 64.349999999999994 111.127 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -168.67 146.13 3.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 54.409999999999997 110.885 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 678' ' ' LYS . . . . . . . . . . . . . 1.2 tmmm? -121.37 131.85 54.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 72.420000000000002 110.891 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 679' ' ' VAL . . . . . . . . . . . . . 41.0 t -124.25 147.67 28.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 65.010000000000005 111.185 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 680' ' ' GLY . . . . . . . . . . . . . . . -136.32 -175.74 13.98 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.707 -0.758 . . . . 43.43 112.504 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 681' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-O 120.758 0.314 . . . . 75.409999999999997 111.072 -179.968 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 561' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 562' ' ' VAL . 53.9 Cg_endo . . . . . 0 N--CA 1.465 -0.161 0 CA-C-O 120.827 0.261 . . . . 71.420000000000002 112.358 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 562' ' ' VAL . . . . . 0.4 ' C ' ' O ' ' A' ' 561' ' ' PRO . 27.1 m 37.01 44.18 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.243 -0.435 . . . . 43.020000000000003 111.105 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 563' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -149.01 120.2 7.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 55.340000000000003 110.863 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -92.42 -177.85 4.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 63.030000000000001 110.899 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 565' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.37 162.35 20.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 73.329999999999998 110.892 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 10.8 m -118.27 107.42 13.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.457 . . . . 44.520000000000003 110.875 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 567' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.8 67.18 1.51 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.097 -0.501 . . . . 75.329999999999998 110.927 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 16.0 mmp_? -76.96 153.29 34.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.261 -0.427 . . . . 74.030000000000001 110.878 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 42.2 p -86.23 146.62 26.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 55.219999999999999 110.875 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -113.12 152.99 28.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 62.340000000000003 110.861 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 9.6 mp -95.01 129.09 42.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 61.020000000000003 110.902 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 10.5 p -75.06 143.8 43.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 71.019999999999996 110.845 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 573' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -78.36 113.45 16.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 75.430000000000007 110.929 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 574' ' ' ARG . . . . . . . . . . . . . 34.8 ptt180 -100.54 139.24 36.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 61.109999999999999 110.876 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 11.3 mpt_? -54.58 173.54 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 61.350000000000001 110.892 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 576' ' ' ILE . . . . . . . . . . . . . 6.2 tp -51.86 126.59 7.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 64.310000000000002 111.114 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 28.6 tpt180 -82.06 -71.31 0.49 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 73.109999999999999 110.841 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 578' ' ' ARG . . . . . . . . . . . . . 61.8 mtt180 -118.8 160.25 41.18 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.614 0.721 . . . . 64.420000000000002 110.9 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 146.82 61.05 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.698 2.265 . . . . 74.310000000000002 112.329 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 580' ' ' PHE . . . . . 0.489 ' CD1' HG22 ' A' ' 585' ' ' VAL . 7.5 p90 -64.14 144.86 56.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 74.150000000000006 110.831 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 581' ' ' SER . . . . . 0.699 ' O ' HG23 ' A' ' 585' ' ' VAL . 3.0 m -96.48 179.25 5.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.163 -0.471 . . . . 63.119999999999997 110.835 -179.776 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 582' ' ' VAL . . . . . . . . . . . . . 15.6 m -52.69 -40.88 36.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.086 -0.506 . . . . 61.409999999999997 111.179 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -69.95 -33.93 72.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 60.25 111.079 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 584' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -74.41 -38.18 63.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 53.130000000000003 110.868 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 585' ' ' VAL . . . . . 0.699 HG23 ' O ' ' A' ' 581' ' ' SER . 81.6 t -53.65 -33.17 22.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.114 -0.493 . . . . 75.319999999999993 111.178 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 586' ' ' GLU . . . . . 0.459 ' HA ' HD22 ' A' ' 646' ' ' LEU . 9.9 pt-20 -51.14 -31.43 19.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.108 -0.496 . . . . 74.209999999999994 110.875 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 587' ' ' ALA . . . . . . . . . . . . . . . -61.07 -43.41 98.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 74.0 111.099 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 588' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.5 -44.08 88.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 70.329999999999998 110.973 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 589' ' ' VAL . . . . . 0.528 HG21 ' HB3' ' A' ' 646' ' ' LEU . 60.7 t -66.75 -56.09 15.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 44.409999999999997 111.15 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -54.94 -33.07 61.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 74.439999999999998 110.91 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 591' ' ' ALA . . . . . 0.45 ' HB2' ' HG3' ' A' ' 606' ' ' ARG . . . -69.8 -46.61 65.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 74.420000000000002 111.026 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 592' ' ' VAL . . . . . 0.462 HG12 ' O ' ' A' ' 589' ' ' VAL . 13.0 p -74.58 -25.72 19.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 65.230000000000004 111.155 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 593' ' ' GLU . . . . . 0.438 ' HG2' ' HB2' ' A' ' 653' ' ' ALA . 2.1 mt-10 -72.89 -41.23 64.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.099 -0.501 . . . . 74.349999999999994 110.847 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -84.28 -46.49 11.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 71.430000000000007 110.871 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 595' ' ' LEU . . . . . 0.619 HD22 ' HB3' ' A' ' 602' ' ' ASP . 11.4 mt -79.56 -16.93 55.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 64.019999999999996 110.927 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 596' ' ' GLY . . . . . . . . . . . . . . . 88.7 174.12 46.98 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.771 -0.728 . . . . 71.040000000000006 112.531 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 3.8 p -90.85 29.5 1.34 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.834 0.35 . . . . 71.420000000000002 111.17 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 598' ' ' GLY . . . . . . . . . . . . . . . -133.75 2.78 4.52 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.731 -0.747 . . . . 54.409999999999997 112.482 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 599' ' ' ARG . . . . . 0.664 ' O ' HG23 ' A' ' 603' ' ' VAL . 56.3 mtt85 -122.18 74.5 1.16 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.804 0.335 . . . . 72.349999999999994 110.923 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 600' ' ' TRP . . . . . . . . . . . . . 26.9 m0 -62.33 -50.1 72.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 75.209999999999994 110.911 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 601' ' ' ARG . . . . . . . . . . . . . 33.4 mtt85 -52.71 -48.72 66.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 54.210000000000001 110.811 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 602' ' ' ASP . . . . . 0.619 ' HB3' HD22 ' A' ' 595' ' ' LEU . 1.8 m-20 -63.08 -35.98 82.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.266 -0.425 . . . . 63.109999999999999 110.888 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 603' ' ' VAL . . . . . 0.664 HG23 ' O ' ' A' ' 599' ' ' ARG . 50.1 t -64.31 -32.21 56.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 74.430000000000007 111.1 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 11.8 ttpt -69.1 -48.17 63.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 72.299999999999997 110.946 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 605' ' ' MET . . . . . . . . . . . . . 37.6 mtp -73.13 -31.12 64.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 74.510000000000005 110.901 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 606' ' ' ARG . . . . . 0.556 ' CB ' HD11 ' A' ' 595' ' ' LEU . 0.2 OUTLIER -76.27 -36.57 58.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 74.150000000000006 110.895 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -88.61 -67.86 0.81 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 73.310000000000002 111.077 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 608' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -71.06 124.21 23.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 75.129999999999995 110.821 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -72.78 -34.36 66.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 71.400000000000006 110.831 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -95.31 40.13 1.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 75.430000000000007 110.817 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 611' ' ' ALA . . . . . . . . . . . . . . . -64.09 -168.21 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 63.509999999999998 111.104 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 10.6 t70 64.5 36.36 8.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 63.439999999999998 110.873 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 613' ' ' HIS . . . . . . . . . . . . . 44.8 t60 -165.35 -39.32 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 71.319999999999993 110.886 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 614' ' ' ARG . . . . . . . . . . . . . 14.9 mtm180 -84.83 157.12 21.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 74.340000000000003 110.917 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 615' ' ' THR . . . . . 0.693 ' OG1' HG12 ' A' ' 617' ' ' VAL . 3.7 t -73.51 158.01 35.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 72.239999999999995 111.105 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 616' ' ' TYR . . . . . . . . . . . . . 15.3 p90 -85.61 -24.16 27.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 73.040000000000006 110.935 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 617' ' ' VAL . . . . . 0.693 HG12 ' OG1' ' A' ' 615' ' ' THR . 13.8 p -60.26 -33.11 52.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.092 -0.504 . . . . 71.219999999999999 111.119 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 618' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.13 -50.57 72.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 74.420000000000002 110.882 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 619' ' ' LEU . . . . . 0.654 HD13 ' CG1' ' A' ' 603' ' ' VAL . 0.6 OUTLIER -61.38 -25.27 67.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 72.219999999999999 110.903 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 620' ' ' LYS . . . . . . . . . . . . . 22.6 ttpt -74.65 -33.81 62.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 74.230000000000004 110.936 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -71.65 -36.02 70.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 73.420000000000002 110.869 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 5.2 mttm -71.1 -41.14 70.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.45 . . . . 64.409999999999997 110.89 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 623' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -70.53 -50.23 39.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 73.109999999999999 110.854 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 17.0 tttt -50.73 -54.91 19.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 64.329999999999998 110.879 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 13.7 t -61.98 -31.0 71.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 64.450000000000003 111.173 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 626' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.68 -53.73 54.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 75.439999999999998 110.892 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 627' ' ' VAL . . . . . 0.587 ' O ' HD13 ' A' ' 632' ' ' ILE . 77.6 t -58.49 -54.95 26.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 65.310000000000002 111.159 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 628' ' ' HIS . . . . . 0.542 ' HA ' HD13 ' A' ' 632' ' ' ILE . 49.9 m170 -53.01 -29.54 30.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 71.209999999999994 110.89 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 629' ' ' THR . . . . . . . . . . . . . 23.7 m -74.35 -29.63 61.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 62.350000000000001 111.185 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 630' ' ' ALA . . . . . 0.668 ' HA ' HD13 ' A' ' 647' ' ' LEU . . . -54.16 -49.88 68.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 74.409999999999997 111.144 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 631' ' ' SER . . . . . 0.697 ' C ' HD12 ' A' ' 632' ' ' ILE . 11.8 t 173.26 68.52 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 65.129999999999995 110.852 -179.791 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 632' ' ' ILE . . . . . 0.697 HD12 ' C ' ' A' ' 631' ' ' SER . 2.8 mp -130.28 -76.43 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.106 -0.497 . . . . 52.130000000000003 111.11 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 633' ' ' ALA . . . . . 0.698 ' HB3' ' HB2' ' A' ' 636' ' ' GLN . . . -103.6 144.18 28.13 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.613 0.721 . . . . 74.040000000000006 111.151 179.785 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 634' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -48.07 0.78 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.639 2.226 . . . . 73.409999999999997 112.333 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 635' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -73.83 -13.73 60.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 72.430000000000007 110.895 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 636' ' ' GLN . . . . . 0.698 ' HB2' ' HB3' ' A' ' 633' ' ' ALA . 51.8 mm-40 -80.79 -0.87 40.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.133 -0.485 . . . . 75.010000000000005 110.963 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 637' ' ' ARG . . . . . . . . . . . . . 30.1 mmm-85 -79.47 114.25 18.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 74.319999999999993 110.915 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 638' ' ' ARG . . . . . . . . . . . . . 1.7 ttt-85 -60.64 134.11 56.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.461 . . . . 70.510000000000005 110.828 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 639' ' ' GLY . . . . . . . . . . . . . . . -51.78 -58.4 10.43 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.75 -0.738 . . . . 72.019999999999996 112.413 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 640' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -52.89 161.29 1.22 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.69 0.757 . . . . 63.43 110.846 -179.828 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 121.81 8.48 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.714 2.276 . . . . 61.340000000000003 112.333 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 642' ' ' VAL . . . . . 0.504 HG23 ' HD2' ' A' ' 643' ' ' PRO . 3.9 p -105.32 134.44 19.67 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.659 0.742 . . . . 62.149999999999999 111.151 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 643' ' ' PRO . . . . . 0.504 ' HD2' HG23 ' A' ' 642' ' ' VAL . 53.5 Cg_endo -69.76 128.62 16.3 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.742 2.295 . . . . 74.140000000000001 112.309 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -68.04 -25.62 65.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 55.119999999999997 110.912 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -62.93 -41.33 99.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 73.549999999999997 110.915 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 646' ' ' LEU . . . . . 0.528 ' HB3' HG21 ' A' ' 589' ' ' VAL . 58.2 mt -74.91 -34.81 62.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.494 . . . . 73.040000000000006 110.917 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 647' ' ' LEU . . . . . 0.668 HD13 ' HA ' ' A' ' 630' ' ' ALA . 53.5 mt -71.73 -40.67 69.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 71.5 110.9 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.44 -30.23 64.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 63.439999999999998 110.827 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -74.47 -49.03 23.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 72.519999999999996 110.896 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 650' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -59.33 -33.61 51.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 71.319999999999993 111.12 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 651' ' ' LEU . . . . . 0.404 ' HA ' HD12 ' A' ' 651' ' ' LEU . 0.9 OUTLIER -71.53 -41.99 68.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 72.430000000000007 110.892 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -54.55 -48.17 72.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 71.409999999999997 111.101 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 653' ' ' ALA . . . . . 0.438 ' HB2' ' HG2' ' A' ' 593' ' ' GLU . . . -75.06 -46.32 35.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 61.240000000000002 111.091 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 654' ' ' HIS . . . . . . . . . . . . . 52.2 t-80 -54.04 -41.51 68.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 64.150000000000006 110.861 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -76.04 -46.87 27.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 14.199999999999999 111.125 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 65.4 t80 -55.59 -49.43 72.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 73.349999999999994 110.918 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 657' ' ' TRP . . . . . . . . . . . . . 64.1 m95 -70.26 -36.7 74.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.152 -0.477 . . . . 55.329999999999998 110.916 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 16.4 t -54.09 -34.79 61.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.435 . . . . 71.010000000000005 110.889 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 659' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -57.46 -24.76 57.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.495 . . . . 64.030000000000001 110.931 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -122.03 50.42 1.45 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 61.420000000000002 110.926 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -152.77 167.67 28.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 52.399999999999999 110.929 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 662' ' ' GLY . . . . . . . . . . . . . . . -94.66 177.35 35.79 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.727 -0.749 . . . . 73.109999999999999 112.43 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 35.3 mtmm -151.21 171.96 16.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.73 0.3 . . . . 70.319999999999993 110.914 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -96.37 -72.08 0.65 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 75.340000000000003 110.978 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 665' ' ' HIS . . . . . . . . . . . . . 15.5 t-80 -143.12 136.26 28.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 63.039999999999999 110.829 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 666' ' ' VAL . . . . . . . . . . . . . 32.6 m -128.57 179.93 3.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 65.219999999999999 111.153 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -74.93 160.51 80.51 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.596 0.712 . . . . 53.229999999999997 110.897 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 668' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 155.57 65.59 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.697 2.265 . . . . 73.400000000000006 112.311 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 669' ' ' LEU . . . . . . . . . . . . . 54.8 tp -112.78 147.37 37.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 74.420000000000002 110.89 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 670' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.12 117.03 32.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 70.400000000000006 110.841 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 671' ' ' ILE . . . . . . . . . . . . . 21.5 tt -113.57 146.63 17.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 74.450000000000003 111.088 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 8.3 mp -90.94 127.31 36.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.485 . . . . 72.310000000000002 110.896 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 673' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -105.57 120.15 40.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 62.43 110.818 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -94.16 158.59 15.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 72.510000000000005 111.131 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 5.1 mtmp? -126.67 106.59 9.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 72.409999999999997 110.884 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . -76.89 132.08 38.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 73.239999999999995 111.14 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 33.9 tp60 -70.83 145.13 50.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 71.109999999999999 110.912 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 678' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.87 176.25 5.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 73.310000000000002 110.915 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 679' ' ' VAL . . . . . . . . . . . . . 57.8 t -123.67 132.61 71.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 65.430000000000007 111.119 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 680' ' ' GLY . . . . . . . . . . . . . . . -110.45 73.19 0.21 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.69 -0.767 . . . . 71.340000000000003 112.483 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 681' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-O 120.792 0.329 . . . . 61.509999999999998 111.117 -179.972 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 561' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.868 0.278 . . . . 63.450000000000003 112.338 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 562' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 562' ' ' VAL . 4.9 m -130.98 103.17 7.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 74.030000000000001 111.15 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 563' ' ' ASN . . . . . 0.406 HD21 ' NE2' ' A' ' 661' ' ' GLN . 63.3 t30 -144.05 164.34 30.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.134 -0.484 . . . . 72.200000000000003 110.867 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 8.8 mp0 -96.7 174.27 6.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.494 . . . . 75.540000000000006 110.907 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 565' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -134.96 99.52 4.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 72.319999999999993 110.89 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -126.84 148.61 49.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.292 -0.413 . . . . 73.340000000000003 110.851 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 567' ' ' LYS . . . . . . . . . . . . . 20.0 tptt -139.38 148.94 43.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 65.129999999999995 110.838 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -140.98 179.45 6.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 74.420000000000002 110.87 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 17.1 t -116.84 151.81 35.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 75.140000000000001 110.87 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -152.63 178.99 9.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 74.219999999999999 110.897 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 19.1 mt -138.19 177.15 8.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 61.439999999999998 110.94 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 4.5 m -154.47 -170.21 3.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 63.229999999999997 110.829 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 573' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -163.78 -176.78 4.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.488 . . . . 72.510000000000005 110.888 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 574' ' ' ARG . . . . . . . . . . . . . 7.1 ptt180 -179.52 161.13 1.02 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 62.140000000000001 110.866 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 575' ' ' ARG . . . . . 0.651 ' O ' HD13 ' A' ' 576' ' ' ILE . 0.2 OUTLIER -145.71 -75.32 0.22 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 55.350000000000001 110.937 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 576' ' ' ILE . . . . . 0.651 HD13 ' O ' ' A' ' 575' ' ' ARG . 24.1 mm -135.27 150.46 29.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 70.120000000000005 111.113 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 4.0 mpt_? -107.56 179.91 4.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 70.200000000000003 110.897 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 578' ' ' ARG . . . . . . . . . . . . . 20.2 mmt85 -120.37 159.03 49.51 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.579 0.704 . . . . 72.230000000000004 110.857 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 82.1 0.78 Allowed 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.686 2.257 . . . . 61.420000000000002 112.325 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 580' ' ' PHE . . . . . . . . . . . . . 8.6 p90 -93.09 142.12 27.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 63.140000000000001 110.895 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 581' ' ' SER . . . . . 0.416 ' O ' HG23 ' A' ' 585' ' ' VAL . 18.0 m -109.29 170.4 8.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.481 . . . . 41.140000000000001 110.857 -179.785 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 582' ' ' VAL . . . . . . . . . . . . . 99.0 t -51.67 -37.65 20.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 61.340000000000003 111.102 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -69.61 -48.14 61.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 63.350000000000001 111.086 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 584' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -63.55 -54.77 30.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 74.219999999999999 110.852 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 585' ' ' VAL . . . . . 0.807 HG12 HD13 ' A' ' 646' ' ' LEU . 60.7 t -54.05 -33.84 25.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 75.019999999999996 111.086 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 586' ' ' GLU . . . . . 0.553 ' HG3' HD11 ' A' ' 646' ' ' LEU . 19.6 mt-10 -63.03 -52.12 64.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 70.329999999999998 110.93 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 587' ' ' ALA . . . . . 0.65 ' HB1' ' HA ' ' A' ' 607' ' ' ALA . . . -64.12 -31.42 72.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 54.539999999999999 111.083 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 588' ' ' LEU . . . . . 0.455 HD13 ' C ' ' A' ' 588' ' ' LEU . 2.4 tm? -66.41 -54.47 23.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 71.340000000000003 110.877 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 589' ' ' VAL . . . . . 0.599 HG21 ' HB3' ' A' ' 646' ' ' LEU . 47.9 t -60.75 -54.45 35.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 60.420000000000002 111.119 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -51.79 -37.1 50.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.153 -0.476 . . . . 75.420000000000002 110.927 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 591' ' ' ALA . . . . . 0.508 ' HB2' ' HG3' ' A' ' 606' ' ' ARG . . . -72.66 -40.22 66.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.067 -0.515 . . . . 44.43 111.082 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 592' ' ' VAL . . . . . . . . . . . . . 37.4 t -73.84 -26.07 21.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 75.140000000000001 111.176 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.02 -39.47 63.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 73.310000000000002 110.863 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 31.3 m170 -85.79 -47.26 9.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 71.319999999999993 110.891 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 595' ' ' LEU . . . . . 0.505 HD22 ' CB ' ' A' ' 602' ' ' ASP . 14.5 mt -79.56 -23.45 42.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 70.510000000000005 110.895 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 596' ' ' GLY . . . . . . . . . . . . . . . 84.22 -174.84 51.05 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.707 -0.758 . . . . 72.109999999999999 112.448 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 36.1 p -94.83 28.28 2.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.838 0.351 . . . . 60.32 111.133 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 598' ' ' GLY . . . . . . . . . . . . . . . -121.72 -24.83 2.25 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.737 -0.744 . . . . 44.200000000000003 112.558 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 599' ' ' ARG . . . . . 0.471 ' O ' HG23 ' A' ' 603' ' ' VAL . 43.0 mtt85 -105.68 71.74 0.93 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.855 0.359 . . . . 74.129999999999995 110.873 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 600' ' ' TRP . . . . . . . . . . . . . 5.1 m0 -59.8 -49.77 76.43 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.15 -0.477 . . . . 75.430000000000007 110.904 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 601' ' ' ARG . . . . . . . . . . . . . 73.8 mtm180 -52.42 -45.63 66.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 71.230000000000004 110.892 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 602' ' ' ASP . . . . . 0.505 ' CB ' HD22 ' A' ' 595' ' ' LEU . 17.7 m-20 -63.43 -35.15 79.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 64.120000000000005 110.829 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 603' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 599' ' ' ARG . 55.5 t -64.73 -31.81 55.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 52.549999999999997 111.14 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 27.2 ttpt -69.52 -49.3 55.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.489 . . . . 75.439999999999998 110.857 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 605' ' ' MET . . . . . . . . . . . . . 6.8 ptm -72.91 -31.47 64.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.296 -0.411 . . . . 74.299999999999997 110.922 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 606' ' ' ARG . . . . . 0.508 ' HG3' ' HB2' ' A' ' 591' ' ' ALA . 19.0 tpp180 -75.09 -40.5 60.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 72.230000000000004 110.952 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 607' ' ' ALA . . . . . 0.65 ' HA ' ' HB1' ' A' ' 587' ' ' ALA . . . -84.88 -68.8 0.7 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.108 -0.496 . . . . 44.109999999999999 111.142 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 608' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -71.53 124.75 25.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 73.010000000000005 110.92 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -71.98 -34.35 68.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 64.230000000000004 110.936 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 61.8 m-20 -119.85 79.45 1.45 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.232 -0.44 . . . . 73.310000000000002 110.836 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 611' ' ' ALA . . . . . . . . . . . . . . . -140.64 89.61 2.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.239 -0.437 . . . . 45.530000000000001 111.127 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -103.95 -57.67 2.0 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.466 . . . . 74.310000000000002 110.881 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 613' ' ' HIS . . . . . . . . . . . . . 13.5 t60 -95.76 25.84 4.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 63.039999999999999 110.851 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 614' ' ' ARG . . . . . . . . . . . . . 5.7 mmt180 -91.23 154.39 19.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 72.25 110.922 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 615' ' ' THR . . . . . 0.653 ' HB ' HG12 ' A' ' 617' ' ' VAL . 1.2 m -93.56 164.16 13.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 73.409999999999997 111.22 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 616' ' ' TYR . . . . . . . . . . . . . 7.4 p90 -89.78 3.4 52.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.259 -0.428 . . . . 73.239999999999995 110.996 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 617' ' ' VAL . . . . . 0.653 HG12 ' HB ' ' A' ' 615' ' ' THR . 12.3 p -72.41 -32.67 42.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.081 -0.509 . . . . 75.140000000000001 111.117 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 618' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.67 -50.59 23.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 52.43 110.843 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 619' ' ' LEU . . . . . 0.423 ' C ' HD12 ' A' ' 619' ' ' LEU . 2.5 pp -63.14 -39.58 95.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 73.349999999999994 110.894 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 620' ' ' LYS . . . . . . . . . . . . . 11.6 ptmm? -72.13 -32.59 67.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 75.230000000000004 110.884 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 621' ' ' ASP . . . . . 0.438 ' OD2' HG22 ' A' ' 617' ' ' VAL . 16.1 m-20 -71.65 -35.27 70.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.431 . . . . 74.150000000000006 110.829 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 17.4 ttmt -69.65 -38.67 77.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.274 -0.421 . . . . 63.119999999999997 110.902 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 623' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -63.97 -51.64 63.39 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.21 -0.45 . . . . 75.519999999999996 110.874 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.12 -55.42 20.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 45.439999999999998 110.869 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 11.5 t -61.68 -30.26 70.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 72.340000000000003 111.063 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 626' ' ' LEU . . . . . 0.722 HD11 HG13 ' A' ' 585' ' ' VAL . 0.3 OUTLIER -60.14 -53.85 52.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.249 -0.432 . . . . 75.510000000000005 110.95 179.935 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 627' ' ' VAL . . . . . 0.637 ' O ' HD13 ' A' ' 632' ' ' ILE . 79.4 t -56.82 -51.85 62.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 72.129999999999995 111.077 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 628' ' ' HIS . . . . . 0.432 ' HA ' ' HB ' ' A' ' 632' ' ' ILE . 12.8 m-70 -53.76 -28.19 33.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 71.439999999999998 110.836 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 629' ' ' THR . . . . . . . . . . . . . 21.3 m -79.28 -29.59 42.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 70.319999999999993 111.136 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 630' ' ' ALA . . . . . 0.672 ' HA ' HD13 ' A' ' 647' ' ' LEU . . . -55.24 -49.41 72.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 71.430000000000007 111.063 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 631' ' ' SER . . . . . 0.682 ' C ' HD12 ' A' ' 632' ' ' ILE . 10.8 t 173.32 70.64 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 61.310000000000002 110.903 -179.768 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 632' ' ' ILE . . . . . 0.682 HD12 ' C ' ' A' ' 631' ' ' SER . 1.8 mp -124.96 -65.46 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.135 -0.484 . . . . 62.409999999999997 111.162 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 633' ' ' ALA . . . . . 0.449 ' N ' HG22 ' A' ' 632' ' ' ILE . . . -101.99 155.25 36.68 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.556 0.694 . . . . 74.010000000000005 111.109 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 634' ' ' PRO . . . . . 0.41 ' HD2' ' HB1' ' A' ' 633' ' ' ALA . 53.8 Cg_endo -69.78 -44.36 2.11 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.682 2.254 . . . . 70.140000000000001 112.315 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 635' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -63.22 -15.98 58.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 71.450000000000003 110.927 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 17.0 mm-40 -81.65 -30.27 32.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 73.420000000000002 110.943 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 637' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.3 150.93 25.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 74.430000000000007 110.828 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 638' ' ' ARG . . . . . . . . . . . . . 4.8 tpt180 64.11 96.76 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 73.530000000000001 110.925 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 639' ' ' GLY . . . . . . . . . . . . . . . 174.83 -136.97 3.66 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.724 -0.75 . . . . 75.120000000000005 112.449 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 640' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -51.85 160.21 1.17 Allowed Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.664 0.745 . . . . 54.210000000000001 110.882 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.74 120.44 7.23 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.693 2.262 . . . . 73.120000000000005 112.353 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 642' ' ' VAL . . . . . 0.51 HG21 HD11 ' A' ' 647' ' ' LEU . 1.7 p -134.35 130.93 20.31 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.654 0.74 . . . . 62.119999999999997 111.121 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 643' ' ' PRO . . . . . 0.451 ' HG2' HD12 ' A' ' 646' ' ' LEU . 54.3 Cg_endo -69.78 128.54 16.16 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.693 2.262 . . . . 73.420000000000002 112.358 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -70.52 -21.71 62.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 74.200000000000003 110.866 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -68.18 -38.11 81.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 70.200000000000003 110.846 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 646' ' ' LEU . . . . . 0.807 HD13 HG12 ' A' ' 585' ' ' VAL . 50.2 mt -75.41 -42.05 54.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 73.219999999999999 110.976 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 647' ' ' LEU . . . . . 0.672 HD13 ' HA ' ' A' ' 630' ' ' ALA . 53.5 mt -65.3 -40.89 94.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 73.150000000000006 110.928 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -72.44 -33.02 66.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 73.409999999999997 110.882 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 5.8 mtp85 -74.52 -48.81 24.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 72.099999999999994 110.81 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 650' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -58.08 -33.66 47.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 74.299999999999997 111.151 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 651' ' ' LEU . . . . . 0.496 ' CD1' HG13 ' A' ' 627' ' ' VAL . 0.8 OUTLIER -71.5 -42.77 67.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 74.230000000000004 110.889 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -54.6 -51.25 65.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.429 . . . . 54.420000000000002 111.169 179.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -71.84 -41.27 68.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 73.019999999999996 111.097 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 654' ' ' HIS . . . . . . . . . . . . . 31.1 t-80 -53.24 -44.99 68.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 75.540000000000006 110.876 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -67.28 -47.33 70.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 73.439999999999998 111.098 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 73.9 t80 -55.15 -49.99 70.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 73.200000000000003 110.906 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 657' ' ' TRP . . . . . . . . . . . . . 55.4 m95 -71.12 -36.68 72.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 72.319999999999993 110.937 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 7.6 t -53.67 -32.12 50.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 60.240000000000002 110.855 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 659' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -56.8 -22.04 33.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 75.340000000000003 110.973 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 23.0 pt20 38.47 50.09 1.47 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 73.140000000000001 110.849 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 661' ' ' GLN . . . . . 0.406 ' NE2' HD21 ' A' ' 563' ' ' ASN . 5.0 tp60 -51.61 -29.09 16.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 75.340000000000003 110.914 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 662' ' ' GLY . . . . . . . . . . . . . . . -175.23 73.58 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.756 -0.735 . . . . 64.219999999999999 112.505 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 13.5 pttm -171.9 162.68 6.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.714 0.292 . . . . 62.32 110.919 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 -175.8 151.19 1.1 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 72.040000000000006 110.985 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 665' ' ' HIS . . . . . . . . . . . . . 3.7 m80 -159.19 179.35 9.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.253 -0.43 . . . . 72.010000000000005 110.826 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 666' ' ' VAL . . . . . 0.412 HG22 ' N ' ' A' ' 667' ' ' GLU . 9.9 p -116.56 158.44 17.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 75.129999999999995 111.145 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 667' ' ' GLU . . . . . 0.412 ' N ' HG22 ' A' ' 666' ' ' VAL . 0.0 OUTLIER -109.61 157.25 38.02 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.648 0.737 . . . . 53.310000000000002 110.882 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 668' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -170.69 0.41 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.643 2.228 . . . . 71.420000000000002 112.386 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 669' ' ' LEU . . . . . 0.437 HD23 ' H ' ' A' ' 669' ' ' LEU . 1.0 OUTLIER -108.3 -169.83 1.57 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 74.239999999999995 110.918 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 670' ' ' LYS . . . . . . . . . . . . . 6.5 mtpm? -66.53 151.32 47.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 62.240000000000002 110.866 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 671' ' ' ILE . . . . . . . . . . . . . 9.2 tp -175.56 145.83 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 64.540000000000006 111.152 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 37.8 tp -170.59 148.16 3.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.233 -0.44 . . . . 73.310000000000002 110.966 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 673' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -175.57 146.25 0.76 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 55.030000000000001 110.89 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -177.85 155.85 1.04 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 52.350000000000001 111.112 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -174.94 146.93 0.92 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 74.209999999999994 110.844 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . -176.3 163.07 2.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 74.510000000000005 111.1 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -173.96 156.03 2.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.273 -0.421 . . . . 62.240000000000002 110.901 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 678' ' ' LYS . . . . . . . . . . . . . 16.7 tptm -174.96 148.16 1.01 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 65.120000000000005 110.912 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 679' ' ' VAL . . . . . . . . . . . . . 17.8 m -123.16 -177.67 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 43.130000000000003 111.145 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 680' ' ' GLY . . . . . . . . . . . . . . . -168.18 173.92 43.01 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.77 -0.729 . . . . 31.32 112.51 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 681' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.267 0 CA-C-O 120.767 0.318 . . . . 64.239999999999995 111.109 179.975 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 561' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 N--CA 1.465 -0.157 0 CA-C-O 120.832 0.263 . . . . 72.519999999999996 112.337 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 562' ' ' VAL . . . . . . . . . . . . . 7.5 p -175.11 125.77 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 74.019999999999996 111.16 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 563' ' ' ASN . . . . . . . . . . . . . 24.3 m120 -146.34 -176.11 5.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.459 . . . . 73.230000000000004 110.876 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -171.26 175.48 4.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 70.129999999999995 110.867 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 565' ' ' LYS . . . . . . . . . . . . . 3.2 ptpt -164.05 147.71 9.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 74.030000000000001 110.819 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 8.9 m -127.08 148.61 50.13 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.189 -0.46 . . . . 74.040000000000006 110.845 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 567' ' ' LYS . . . . . . . . . . . . . 30.8 mmtp -139.77 158.07 44.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 72.209999999999994 110.929 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 8.0 mpt_? -134.82 125.03 26.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.28 -0.418 . . . . 73.120000000000005 110.802 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 28.7 m -116.84 151.75 35.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 71.439999999999998 110.856 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -151.36 137.68 18.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 71.450000000000003 110.886 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 72.1 mt -154.29 166.5 32.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 65.120000000000005 110.93 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 3.7 m 52.07 54.94 9.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 31.32 110.867 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 573' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -56.46 -33.84 66.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.099 -0.501 . . . . 73.239999999999995 110.951 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 574' ' ' ARG . . . . . . . . . . . . . 7.8 mpt_? -60.15 147.91 38.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.197 -0.456 . . . . 74.019999999999996 110.854 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -134.64 173.06 12.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 75.439999999999998 110.816 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 576' ' ' ILE . . . . . . . . . . . . . 6.9 tt -143.06 22.96 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 61.43 111.131 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -63.55 176.46 0.85 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 75.409999999999997 110.863 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 578' ' ' ARG . . . . . . . . . . . . . 22.4 mmm180 -105.31 157.47 34.33 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.642 0.734 . . . . 71.340000000000003 110.818 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 95.51 0.56 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.648 2.232 . . . . 61.009999999999998 112.291 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 580' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -91.95 144.74 25.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.293 -0.412 . . . . 74.329999999999998 110.838 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 16.8 m -72.5 159.29 34.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.099 -0.5 . . . . 73.129999999999995 110.875 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 582' ' ' VAL . . . . . 0.623 HG13 ' HG3' ' A' ' 643' ' ' PRO . 85.1 t -54.43 -36.84 35.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.149 -0.478 . . . . 54.549999999999997 111.135 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -68.72 -36.82 78.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 52.520000000000003 111.09 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 584' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -75.29 -41.24 57.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 72.439999999999998 110.9 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 585' ' ' VAL . . . . . . . . . . . . . 92.3 t -66.28 -37.09 78.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.107 -0.497 . . . . 71.140000000000001 111.12 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -51.49 -30.71 20.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.456 . . . . 74.129999999999995 110.878 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 587' ' ' ALA . . . . . . . . . . . . . . . -64.78 -46.12 83.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 72.299999999999997 111.062 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 588' ' ' LEU . . . . . 0.414 HD21 ' HB2' ' A' ' 619' ' ' LEU . 0.1 OUTLIER -59.06 -55.33 36.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.456 . . . . 73.519999999999996 110.977 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 589' ' ' VAL . . . . . 0.727 HG11 HD22 ' A' ' 646' ' ' LEU . 3.6 p -60.02 -50.55 79.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 73.239999999999995 111.092 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 590' ' ' GLU . . . . . 0.516 ' N ' HG13 ' A' ' 589' ' ' VAL . 19.0 mm-40 -60.08 -29.69 68.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 74.109999999999999 110.903 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 591' ' ' ALA . . . . . 0.46 ' CB ' HG13 ' A' ' 603' ' ' VAL . . . -74.8 -43.86 52.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 64.349999999999994 111.045 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 592' ' ' VAL . . . . . . . . . . . . . 12.8 p -75.52 -25.81 17.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 64.340000000000003 111.152 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 593' ' ' GLU . . . . . 0.42 ' HG2' ' HB2' ' A' ' 653' ' ' ALA . 2.2 mt-10 -73.71 -36.61 65.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 72.129999999999995 110.911 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 46.7 m170 -84.15 -47.26 11.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.469 . . . . 72.25 110.91 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 595' ' ' LEU . . . . . 0.402 HD13 ' HA ' ' A' ' 595' ' ' LEU . 4.1 mm? -80.29 -23.43 40.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 73.319999999999993 110.948 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 596' ' ' GLY . . . . . . . . . . . . . . . 94.16 175.07 39.22 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.746 -0.74 . . . . 71.109999999999999 112.476 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 597' ' ' THR . . . . . 0.475 HG21 ' CD2' ' A' ' 654' ' ' HIS . 0.4 OUTLIER -88.91 17.22 5.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.797 0.332 . . . . 43.43 111.13 -179.895 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 598' ' ' GLY . . . . . . . . . . . . . . . -125.24 15.22 7.3 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.802 -0.713 . . . . 73.129999999999995 112.504 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 599' ' ' ARG . . . . . 0.645 ' O ' HG23 ' A' ' 603' ' ' VAL . 40.4 mtt85 -140.75 79.26 1.69 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.843 0.354 . . . . 73.549999999999997 110.898 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 600' ' ' TRP . . . . . . . . . . . . . 10.9 m0 -69.32 -46.08 67.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 74.430000000000007 110.99 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 601' ' ' ARG . . . . . . . . . . . . . 46.7 ttm-85 -53.06 -48.97 67.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 73.450000000000003 110.884 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 602' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -64.41 -38.65 91.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.214 -0.448 . . . . 74.25 110.88 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 603' ' ' VAL . . . . . 0.645 HG23 ' O ' ' A' ' 599' ' ' ARG . 25.1 t -57.5 -36.74 54.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.177 -0.465 . . . . 54.229999999999997 111.131 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 3.7 ttpm? -72.19 -39.29 68.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 64.0 110.883 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 605' ' ' MET . . . . . . . . . . . . . 45.8 mmm -69.9 -31.57 69.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 73.030000000000001 110.919 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 606' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.39 -40.57 17.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 64.040000000000006 110.893 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -80.79 -69.36 0.61 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 75.150000000000006 111.111 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 608' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -71.98 124.61 25.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 71.120000000000005 110.869 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -72.33 -34.27 67.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 63.039999999999999 110.869 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -91.76 47.42 1.36 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 64.310000000000002 110.912 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 611' ' ' ALA . . . . . . . . . . . . . . . -85.28 55.02 3.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 61.039999999999999 111.106 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -100.38 86.76 3.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 75.439999999999998 110.792 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 613' ' ' HIS . . . . . . . . . . . . . 10.4 m-70 63.87 57.81 1.31 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 74.129999999999995 110.829 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 614' ' ' ARG . . . . . . . . . . . . . 8.4 tpp180 -121.9 156.32 33.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 74.439999999999998 110.806 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 615' ' ' THR . . . . . . . . . . . . . 2.2 m -74.42 158.09 34.49 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.127 -0.488 . . . . 54.409999999999997 111.076 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 616' ' ' TYR . . . . . . . . . . . . . 35.9 p90 -99.69 17.76 19.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.467 . . . . 74.400000000000006 110.896 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 617' ' ' VAL . . . . . . . . . . . . . 7.9 p -70.85 -36.43 64.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 62.229999999999997 111.176 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 618' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.69 -50.82 72.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.086 -0.506 . . . . 72.099999999999994 110.856 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 619' ' ' LEU . . . . . 0.414 ' HB2' HD21 ' A' ' 588' ' ' LEU . 0.8 OUTLIER -73.07 -19.86 61.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.271 -0.422 . . . . 54.25 110.882 -179.88 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 620' ' ' LYS . . . . . . . . . . . . . 4.6 tmmm? -68.02 -50.08 57.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 71.319999999999993 110.867 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 -71.89 -32.85 67.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 75.409999999999997 110.845 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 1.1 tppp? -65.73 -40.39 92.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 53.210000000000001 110.948 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 623' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -72.44 -44.48 62.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 75.120000000000005 110.948 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -51.05 -45.87 61.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.267 -0.424 . . . . 72.439999999999998 110.912 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 8.8 t -74.74 -37.48 62.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 42.109999999999999 111.142 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 626' ' ' LEU . . . . . 0.712 HD22 HG21 ' A' ' 650' ' ' VAL . 0.5 OUTLIER -54.96 -54.86 37.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.267 -0.424 . . . . 73.430000000000007 110.85 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 627' ' ' VAL . . . . . 0.634 ' O ' HD13 ' A' ' 632' ' ' ILE . 91.2 t -61.92 -54.68 31.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 72.040000000000006 111.089 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 628' ' ' HIS . . . . . 0.455 ' HA ' ' HB ' ' A' ' 632' ' ' ILE . 11.6 m170 -53.75 -26.53 23.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 73.450000000000003 110.884 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 629' ' ' THR . . . . . . . . . . . . . 36.3 m -78.36 -30.05 47.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 60.119999999999997 111.141 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 630' ' ' ALA . . . . . 0.597 ' HA ' HD13 ' A' ' 647' ' ' LEU . . . -52.81 -49.7 65.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 73.310000000000002 111.059 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 631' ' ' SER . . . . . 0.685 ' C ' HD12 ' A' ' 632' ' ' ILE . 0.4 OUTLIER 169.41 67.53 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 64.420000000000002 110.845 -179.77 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 632' ' ' ILE . . . . . 0.685 HD12 ' C ' ' A' ' 631' ' ' SER . 2.6 mp -128.19 -75.44 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.087 -0.506 . . . . 72.310000000000002 111.099 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 633' ' ' ALA . . . . . 0.709 ' HB3' ' HB2' ' A' ' 636' ' ' GLN . . . -102.54 145.44 30.54 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.594 0.711 . . . . 63.509999999999998 111.117 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 634' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.67 -48.27 0.78 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.65 2.233 . . . . 74.239999999999995 112.423 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 635' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -74.0 -14.12 60.97 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.173 -0.467 . . . . 72.329999999999998 110.891 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 636' ' ' GLN . . . . . 0.709 ' HB2' ' HB3' ' A' ' 633' ' ' ALA . 58.9 mm-40 -81.12 -0.42 40.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 74.530000000000001 110.871 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 637' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -74.65 114.75 13.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.436 . . . . 72.409999999999997 110.867 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 638' ' ' ARG . . . . . . . . . . . . . 1.8 ttp180 -50.89 128.41 21.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 75.150000000000006 110.849 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 639' ' ' GLY . . . . . . . . . . . . . . . -51.49 -38.28 42.4 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.686 -0.769 . . . . 53.43 112.427 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 640' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -81.21 160.52 65.26 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.674 0.75 . . . . 64.439999999999998 110.888 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 122.11 8.81 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.694 2.263 . . . . 73.299999999999997 112.354 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 642' ' ' VAL . . . . . 0.804 HG21 HD11 ' A' ' 647' ' ' LEU . 5.8 m -106.5 139.44 20.34 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.674 0.75 . . . . 73.340000000000003 111.067 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 643' ' ' PRO . . . . . 0.623 ' HG3' HG13 ' A' ' 582' ' ' VAL . 53.7 Cg_endo -69.68 128.98 16.88 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.697 2.264 . . . . 70.530000000000001 112.378 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -65.63 -17.78 64.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 74.420000000000002 110.951 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -67.53 -42.98 81.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 71.409999999999997 110.83 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 646' ' ' LEU . . . . . 0.727 HD22 HG11 ' A' ' 589' ' ' VAL . 65.1 mt -71.98 -53.45 12.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.141 -0.481 . . . . 73.450000000000003 110.922 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 647' ' ' LEU . . . . . 0.804 HD11 HG21 ' A' ' 642' ' ' VAL . 45.9 mt -51.73 -51.78 53.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 74.109999999999999 110.931 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -56.9 -41.17 77.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 73.430000000000007 110.804 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 1.4 mmm180 -65.71 -40.48 92.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 64.010000000000005 110.858 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 650' ' ' VAL . . . . . 0.712 HG21 HD22 ' A' ' 626' ' ' LEU . 92.7 t -61.53 -55.11 26.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 62.310000000000002 111.09 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 651' ' ' LEU . . . . . 0.451 ' CD1' ' HB1' ' A' ' 630' ' ' ALA . 24.5 mt -63.2 -25.52 68.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 63.329999999999998 110.951 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -64.51 -51.37 63.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 53.409999999999997 111.152 179.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 653' ' ' ALA . . . . . 0.42 ' HB2' ' HG2' ' A' ' 593' ' ' GLU . . . -75.82 -49.48 17.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 63.119999999999997 111.134 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 654' ' ' HIS . . . . . 0.475 ' CD2' HG21 ' A' ' 597' ' ' THR . 19.7 m80 -53.26 -31.14 42.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.279 -0.419 . . . . 75.140000000000001 110.869 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -77.15 -46.9 21.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 32.329999999999998 111.075 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 77.2 t80 -63.27 -47.11 83.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 75.430000000000007 110.9 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 657' ' ' TRP . . . . . . . . . . . . . 33.1 m95 -65.41 -39.07 91.71 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.15 -0.477 . . . . 74.430000000000007 110.841 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 3.6 m -61.13 -33.07 72.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.285 -0.416 . . . . 72.219999999999999 110.938 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 659' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -57.16 -24.22 52.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 75.540000000000006 110.911 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -92.08 -49.66 6.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 72.310000000000002 110.95 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -172.48 175.9 3.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.151 -0.477 . . . . 72.510000000000005 110.924 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 662' ' ' GLY . . . . . . . . . . . . . . . 140.37 114.89 1.18 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.724 -0.751 . . . . 61.100000000000001 112.469 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 4.0 pttp -174.91 -172.72 0.64 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.735 0.302 . . . . 73.329999999999998 110.889 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 30.9 tp60 63.22 66.1 0.74 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 74.209999999999994 110.897 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 665' ' ' HIS . . . . . . . . . . . . . 51.0 m-70 -96.79 130.09 44.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 65.420000000000002 110.876 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 666' ' ' VAL . . . . . . . . . . . . . 10.6 p -127.08 151.98 34.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.237 -0.438 . . . . 42.409999999999997 111.216 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -113.14 157.38 41.04 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.63 0.729 . . . . 73.299999999999997 110.901 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 668' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -48.29 0.75 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.658 2.239 . . . . 65.439999999999998 112.373 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 669' ' ' LEU . . . . . . . . . . . . . 2.4 pp -176.27 168.87 2.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 65.239999999999995 110.911 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 670' ' ' LYS . . . . . . . . . . . . . 3.5 ptmm? -139.72 83.14 1.91 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 74.099999999999994 110.969 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 671' ' ' ILE . . . . . . . . . . . . . 10.0 tp -172.66 143.08 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 75.040000000000006 111.177 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -174.77 116.79 0.18 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 64.310000000000002 110.912 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 673' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -175.16 146.69 0.86 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.449 . . . . 72.040000000000006 110.897 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -175.49 135.09 0.31 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 74.030000000000001 111.094 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 4.8 tppt? -174.48 157.12 2.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 73.0 110.898 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . -165.29 170.54 14.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 52.119999999999997 111.096 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 2.7 pp0? -175.15 173.02 2.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 71.430000000000007 110.889 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 678' ' ' LYS . . . . . . . . . . . . . 6.5 pttm -126.55 -176.79 3.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 71.439999999999998 110.897 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 679' ' ' VAL . . . . . . . . . . . . . 11.7 p -149.41 147.04 16.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 70.040000000000006 111.16 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 680' ' ' GLY . . . . . . . . . . . . . . . -111.84 125.04 7.05 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.735 -0.745 . . . . 72.109999999999999 112.499 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 681' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.277 0 CA-C-O 120.863 0.363 . . . . 54.299999999999997 111.151 179.967 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 561' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.796 0.249 . . . . 75.329999999999998 112.297 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 562' ' ' VAL . . . . . . . . . . . . . 40.3 t 56.4 72.39 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 73.430000000000007 111.158 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 563' ' ' ASN . . . . . . . . . . . . . 13.3 p30 -95.45 165.41 12.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 73.340000000000003 110.927 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 9.6 tp-100 -168.16 143.72 3.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 75.129999999999995 110.888 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 565' ' ' LYS . . . . . . . . . . . . . 19.9 ttmt -119.18 166.1 13.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 70.310000000000002 110.888 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -117.17 123.2 46.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.237 -0.438 . . . . 53.439999999999998 110.844 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 567' ' ' LYS . . . . . . . . . . . . . 19.1 pttp -145.1 122.57 11.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.489 . . . . 55.229999999999997 110.897 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -160.75 111.4 1.79 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.29 -0.414 . . . . 74.430000000000007 110.911 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 3.9 m -86.18 120.87 28.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 41.520000000000003 110.852 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -89.23 93.89 9.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.093 -0.503 . . . . 72.439999999999998 110.919 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 8.0 mp -82.6 56.49 3.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 75.5 110.898 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 14.8 t -139.77 138.32 35.78 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.236 -0.438 . . . . 62.229999999999997 110.799 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 573' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -102.18 91.01 4.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.1 -0.5 . . . . 71.430000000000007 110.907 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 574' ' ' ARG . . . . . . . . . . . . . 53.8 mmm-85 -131.51 172.06 12.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 62.420000000000002 110.897 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.66 50.45 1.82 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 73.319999999999993 110.876 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 576' ' ' ILE . . . . . . . . . . . . . 13.3 tt -119.21 132.81 68.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 74.099999999999994 111.042 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -120.08 109.87 15.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.469 . . . . 72.329999999999998 110.879 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 578' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -77.57 160.12 75.56 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.587 0.708 . . . . 65.400000000000006 110.902 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 99.93 0.78 Allowed 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.711 2.274 . . . . 72.439999999999998 112.379 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 580' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -91.49 142.57 27.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 75.019999999999996 110.878 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 47.1 m -73.45 158.56 34.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.075 -0.511 . . . . 73.030000000000001 110.857 -179.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 582' ' ' VAL . . . . . . . . . . . . . 27.7 m -54.46 -32.15 24.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.087 -0.506 . . . . 64.230000000000004 111.125 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -64.78 -46.92 80.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 73.319999999999993 111.101 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 584' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -73.57 -44.19 57.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 61.32 110.89 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 585' ' ' VAL . . . . . 0.712 HG13 HD11 ' A' ' 626' ' ' LEU . 93.5 t -62.43 -35.4 69.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 73.319999999999993 111.139 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -58.07 -34.2 69.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.483 . . . . 73.120000000000005 110.844 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 587' ' ' ALA . . . . . . . . . . . . . . . -70.68 -45.42 65.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 42.140000000000001 111.1 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 588' ' ' LEU . . . . . 0.44 HD13 ' C ' ' A' ' 588' ' ' LEU . 2.3 tm? -55.84 -55.13 36.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 71.209999999999994 110.972 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 589' ' ' VAL . . . . . 0.657 HG22 HD13 ' A' ' 626' ' ' LEU . 36.9 t -61.49 -54.31 36.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 75.420000000000002 111.144 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -50.91 -44.22 60.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 74.450000000000003 110.874 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 591' ' ' ALA . . . . . 0.563 ' CB ' HG13 ' A' ' 603' ' ' VAL . . . -66.36 -39.94 89.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 61.240000000000002 111.105 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 592' ' ' VAL . . . . . . . . . . . . . 17.9 t -69.52 -26.47 31.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 64.329999999999998 111.094 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 593' ' ' GLU . . . . . 0.499 ' HG2' ' HB2' ' A' ' 653' ' ' ALA . 1.2 mt-10 -74.42 -36.81 63.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 73.010000000000005 110.886 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 -85.86 -48.61 8.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 60.420000000000002 110.839 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 595' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -79.93 -24.0 41.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 62.140000000000001 110.869 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 596' ' ' GLY . . . . . . . . . . . . . . . 88.2 -166.47 35.12 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.744 -0.741 . . . . 75.140000000000001 112.482 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 69.9 p -102.08 21.84 14.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.792 0.329 . . . . 75.530000000000001 111.095 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 598' ' ' GLY . . . . . . . . . . . . . . . -125.9 -8.99 4.94 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.765 -0.731 . . . . 34.140000000000001 112.523 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 599' ' ' ARG . . . . . 0.653 ' O ' HG23 ' A' ' 603' ' ' VAL . 56.8 mtt85 -116.49 76.86 1.05 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.824 0.345 . . . . 62.439999999999998 110.815 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 600' ' ' TRP . . . . . 0.787 ' HB3' HD11 ' A' ' 619' ' ' LEU . 7.5 m0 -68.73 -49.91 54.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 74.099999999999994 110.909 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 601' ' ' ARG . . . . . . . . . . . . . 74.5 mtm-85 -54.46 -46.43 73.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.278 -0.419 . . . . 62.200000000000003 110.882 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 602' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -63.33 -30.58 71.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 73.5 110.889 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 603' ' ' VAL . . . . . 0.653 HG23 ' O ' ' A' ' 599' ' ' ARG . 38.8 t -71.32 -34.69 54.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 73.319999999999993 111.112 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 33.2 tptt -71.09 -44.13 66.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 73.200000000000003 110.942 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 605' ' ' MET . . . . . . . . . . . . . 28.2 ptm -72.86 -31.72 64.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 74.400000000000006 110.893 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 606' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.95 -42.61 26.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.445 . . . . 74.420000000000002 110.873 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -77.11 -68.41 0.61 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 75.409999999999997 111.119 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 608' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -70.97 124.16 23.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 71.329999999999998 110.866 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -72.59 -34.26 67.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.143 -0.481 . . . . 72.030000000000001 110.902 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -120.41 76.3 1.17 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 72.420000000000002 110.839 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 611' ' ' ALA . . . . . . . . . . . . . . . -102.42 74.92 1.42 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 63.530000000000001 111.114 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -51.15 -34.49 31.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 65.200000000000003 110.864 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 613' ' ' HIS . . . . . . . . . . . . . 8.8 p80 -115.63 125.41 52.88 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.213 -0.449 . . . . 64.049999999999997 110.783 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 614' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -71.92 103.0 3.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 74.530000000000001 110.913 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 615' ' ' THR . . . . . 0.453 HG22 ' H ' ' A' ' 616' ' ' TYR . 0.2 OUTLIER -97.48 176.43 5.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 72.299999999999997 111.137 -179.9 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 616' ' ' TYR . . . . . 0.532 ' HA ' HD21 ' A' ' 619' ' ' LEU . 26.1 p90 -163.94 -40.07 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 74.549999999999997 110.958 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 617' ' ' VAL . . . . . . . . . . . . . 9.5 p -72.02 -32.35 43.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 73.209999999999994 111.124 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 618' ' ' ASP . . . . . 0.429 ' HB2' HG21 ' A' ' 615' ' ' THR . 0.2 OUTLIER -69.51 -51.54 34.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 71.219999999999999 110.89 179.892 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 619' ' ' LEU . . . . . 0.787 HD11 ' HB3' ' A' ' 600' ' ' TRP . 1.2 pp -65.25 -52.35 54.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 74.400000000000006 110.927 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 620' ' ' LYS . . . . . 0.503 ' N ' HD12 ' A' ' 619' ' ' LEU . 17.4 pttt -56.16 -33.11 64.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 73.109999999999999 110.893 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -64.96 -44.82 88.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 50.009999999999998 110.873 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 5.8 mptt -67.72 -28.25 67.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 75.150000000000006 110.871 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 623' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -73.33 -53.61 10.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.292 -0.413 . . . . 73.430000000000007 110.88 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -51.66 -42.73 62.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 73.519999999999996 110.918 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 12.6 t -72.45 -29.3 63.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.247 -0.433 . . . . 73.430000000000007 111.119 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 626' ' ' LEU . . . . . 0.712 HD11 HG13 ' A' ' 585' ' ' VAL . 0.6 OUTLIER -68.45 -55.53 11.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.218 -0.446 . . . . 75.439999999999998 110.882 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 627' ' ' VAL . . . . . 0.693 HG21 ' CG ' ' A' ' 654' ' ' HIS . 4.2 p -56.6 -45.0 82.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 75.420000000000002 111.096 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 628' ' ' HIS . . . . . 0.461 ' HA ' HD13 ' A' ' 632' ' ' ILE . 14.6 m170 -58.01 -38.04 75.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 64.319999999999993 110.817 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 629' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -69.25 -28.7 66.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 70.239999999999995 111.14 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 630' ' ' ALA . . . . . 0.773 ' HA ' HD13 ' A' ' 647' ' ' LEU . . . -53.7 -47.9 70.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 75.219999999999999 111.135 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 631' ' ' SER . . . . . 0.743 ' C ' HD12 ' A' ' 632' ' ' ILE . 0.5 OUTLIER 173.88 68.01 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.269 -0.423 . . . . 72.209999999999994 110.853 -179.763 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 632' ' ' ILE . . . . . 0.743 HD12 ' C ' ' A' ' 631' ' ' SER . 2.5 mp -134.11 -72.86 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 74.310000000000002 111.15 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 633' ' ' ALA . . . . . 0.576 ' HB3' ' CG ' ' A' ' 636' ' ' GLN . . . -102.97 144.77 29.3 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.695 0.76 . . . . 74.209999999999994 111.08 179.78 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 634' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -45.61 1.5 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.757 2.305 . . . . 70.319999999999993 112.341 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 635' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -73.83 -13.01 60.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 64.010000000000005 110.826 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 636' ' ' GLN . . . . . 0.576 ' CG ' ' HB3' ' A' ' 633' ' ' ALA . 9.8 mm100 -80.35 -33.09 37.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 73.129999999999995 110.867 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 637' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 -84.47 113.24 21.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 61.539999999999999 110.889 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 638' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 177.82 -169.98 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 75.010000000000005 110.852 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 639' ' ' GLY . . . . . . . . . . . . . . . 74.85 -162.9 54.12 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.732 -0.746 . . . . 45.539999999999999 112.477 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 640' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.3 156.9 1.79 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.601 0.715 . . . . 62.399999999999999 110.941 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 122.69 9.37 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.745 2.297 . . . . 74.400000000000006 112.324 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 642' ' ' VAL . . . . . 0.67 ' CG2' HD11 ' A' ' 647' ' ' LEU . 17.0 m -101.0 140.15 21.07 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.568 0.699 . . . . 74.120000000000005 111.163 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 133.8 26.55 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.725 2.283 . . . . 62.25 112.328 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -62.08 -20.32 63.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 73.099999999999994 110.933 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -63.37 -41.53 98.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 72.430000000000007 110.922 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 646' ' ' LEU . . . . . 0.672 HD13 HG12 ' A' ' 585' ' ' VAL . 83.7 mt -75.56 -41.88 53.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 74.0 110.903 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 647' ' ' LEU . . . . . 0.773 HD13 ' HA ' ' A' ' 630' ' ' ALA . 54.9 mt -66.82 -33.38 75.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 61.350000000000001 110.88 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -72.54 -42.01 65.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.221 -0.445 . . . . 54.210000000000001 110.81 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 53.1 mtt180 -73.97 -48.14 32.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 70.209999999999994 110.921 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 650' ' ' VAL . . . . . 0.422 HG12 ' HA ' ' A' ' 647' ' ' LEU . 5.5 p -56.72 -34.78 43.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 75.409999999999997 111.135 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 651' ' ' LEU . . . . . 0.555 HD23 HG23 ' A' ' 627' ' ' VAL . 19.8 mt -71.53 -42.49 67.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 74.450000000000003 110.946 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -60.06 -49.47 77.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 43.109999999999999 111.152 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 653' ' ' ALA . . . . . 0.499 ' HB2' ' HG2' ' A' ' 593' ' ' GLU . . . -68.25 -48.27 65.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 74.319999999999993 111.128 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 654' ' ' HIS . . . . . 0.693 ' CG ' HG21 ' A' ' 627' ' ' VAL . 53.2 t60 -56.56 -43.52 80.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.248 -0.433 . . . . 73.319999999999993 110.828 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -74.2 -46.8 39.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 73.120000000000005 111.091 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 67.7 t80 -56.86 -49.49 75.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 75.109999999999999 110.901 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 657' ' ' TRP . . . . . . . . . . . . . 65.9 m95 -70.49 -31.13 68.12 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.154 -0.476 . . . . 74.230000000000004 110.85 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 2.2 t -59.33 -35.79 74.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.303 -0.408 . . . . 73.420000000000002 110.86 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 659' ' ' GLN . . . . . . . . . . . . . 20.1 tt0 -56.85 -24.9 54.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.489 . . . . 74.239999999999995 110.9 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -131.07 51.21 2.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 71.299999999999997 110.917 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -164.94 158.12 16.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 63.299999999999997 110.994 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 662' ' ' GLY . . . . . . . . . . . . . . . -97.43 -149.28 25.13 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.791 -0.718 . . . . 74.329999999999998 112.495 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 39.1 mmtt -146.47 158.66 43.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.764 0.316 . . . . 75.140000000000001 110.893 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 19.7 mp0 -154.83 165.23 37.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 64.299999999999997 110.964 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 665' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -175.38 111.51 0.12 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 73.349999999999994 110.88 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 666' ' ' VAL . . . . . . . . . . . . . 16.1 m -151.62 133.04 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 64.019999999999996 111.172 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -136.08 157.58 75.47 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.618 0.723 . . . . 74.400000000000006 110.891 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 668' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -170.95 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.698 2.265 . . . . 62.350000000000001 112.355 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 669' ' ' LEU . . . . . . . . . . . . . 16.2 tp -156.21 113.22 3.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 61.219999999999999 110.9 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 670' ' ' LYS . . . . . . . . . . . . . 6.7 tppt? -170.26 157.73 6.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 75.310000000000002 110.933 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 671' ' ' ILE . . . . . . . . . . . . . 19.0 pt -131.87 -177.61 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 74.430000000000007 111.083 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -144.41 166.2 25.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 73.450000000000003 110.94 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 673' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -174.88 158.62 2.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 52.229999999999997 110.833 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -170.42 178.06 3.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.459 . . . . 52.43 111.116 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 26.0 mttp -132.28 179.35 6.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.193 -0.458 . . . . 64.239999999999995 110.887 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . -130.5 -174.29 3.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 63.109999999999999 111.116 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 11.2 tp-100 -169.31 160.22 9.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.28 -0.418 . . . . 63.240000000000002 110.931 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 678' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -148.05 133.07 18.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 74.319999999999993 110.881 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 679' ' ' VAL . . . . . . . . . . . . . 44.0 t -93.48 147.18 5.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 74.439999999999998 111.114 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 680' ' ' GLY . . . . . . . . . . . . . . . -107.21 -137.58 8.53 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.777 -0.725 . . . . 65.400000000000006 112.476 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 681' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.271 0 CA-C-O 120.782 0.325 . . . . 72.450000000000003 111.07 179.955 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 561' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.849 0.27 . . . . 62.329999999999998 112.326 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 562' ' ' VAL . . . . . . . . . . . . . 7.5 p -174.57 125.42 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 73.420000000000002 111.104 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 563' ' ' ASN . . . . . . . . . . . . . 41.2 t30 -150.89 147.26 27.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 72.439999999999998 110.894 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -164.51 168.73 18.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 74.430000000000007 110.951 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 565' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.97 26.02 7.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 52.43 110.908 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 3.8 m -98.36 147.67 24.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 74.129999999999995 110.797 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 567' ' ' LYS . . . . . . . . . . . . . 38.5 pttt -112.32 -26.22 8.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 64.519999999999996 110.878 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 57.2 ttt180 -76.59 132.8 39.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 55.240000000000002 110.922 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -116.87 151.59 36.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 75.129999999999995 110.831 -179.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -67.63 150.54 48.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.059 -0.519 . . . . 52.039999999999999 110.889 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 90.8 mt -154.38 -176.66 5.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.119 -0.491 . . . . 62.119999999999997 110.867 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 4.3 m -127.14 171.43 11.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 63.539999999999999 110.848 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 573' ' ' GLN . . . . . . . . . . . . . 59.3 mm-40 -152.63 -176.29 5.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 74.530000000000001 110.914 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 574' ' ' ARG . . . . . . . . . . . . . 6.1 tpm_? -103.23 -74.57 0.63 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.222 -0.444 . . . . 73.329999999999998 110.873 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? 52.01 58.8 5.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 74.310000000000002 110.829 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 576' ' ' ILE . . . . . . . . . . . . . 14.7 tt -82.08 146.47 7.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 71.329999999999998 111.066 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 54.3 mtp85 -132.58 -175.78 3.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 72.329999999999998 110.884 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 578' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -113.72 160.02 33.51 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.594 0.711 . . . . 71.219999999999999 110.902 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 103.38 1.16 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.651 2.234 . . . . 73.120000000000005 112.37 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 580' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -92.3 144.13 25.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 72.010000000000005 110.897 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 581' ' ' SER . . . . . 0.544 ' O ' HG23 ' A' ' 585' ' ' VAL . 1.3 m -72.44 158.62 35.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.125 -0.489 . . . . 71.510000000000005 110.858 -179.756 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 582' ' ' VAL . . . . . 0.532 HG12 ' HD3' ' A' ' 643' ' ' PRO . 32.0 m -55.19 -32.44 28.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.479 . . . . 71.310000000000002 111.169 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -69.3 -41.43 76.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 74.510000000000005 111.134 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 584' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -74.99 -41.25 59.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 64.25 110.84 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 585' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 581' ' ' SER . 97.9 t -61.29 -35.64 67.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.127 -0.488 . . . . 71.129999999999995 111.123 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -51.42 -30.64 19.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 74.140000000000001 110.886 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 587' ' ' ALA . . . . . 0.592 ' HB1' ' HA ' ' A' ' 607' ' ' ALA . . . -67.4 -47.36 70.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 74.019999999999996 111.103 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 588' ' ' LEU . . . . . 0.532 ' O ' HD13 ' A' ' 588' ' ' LEU . 0.5 OUTLIER -56.35 -47.14 79.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.216 -0.447 . . . . 34.020000000000003 110.956 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 589' ' ' VAL . . . . . 0.641 HG22 HD13 ' A' ' 626' ' ' LEU . 21.7 t -67.84 -56.77 11.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 55.140000000000001 111.099 179.802 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -55.0 -27.55 45.07 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.169 -0.469 . . . . 74.049999999999997 110.92 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 591' ' ' ALA . . . . . 0.41 ' HB2' ' HG3' ' A' ' 606' ' ' ARG . . . -75.69 -46.4 31.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 75.010000000000005 111.096 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 592' ' ' VAL . . . . . 0.441 HG23 ' HA ' ' A' ' 597' ' ' THR . 14.9 p -74.72 -25.63 19.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 75.25 111.101 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 593' ' ' GLU . . . . . 0.425 ' OE1' ' HB2' ' A' ' 653' ' ' ALA . 0.7 OUTLIER -72.96 -42.43 63.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 64.439999999999998 110.831 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -84.58 -47.2 10.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 74.329999999999998 110.803 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 595' ' ' LEU . . . . . 0.7 HD22 ' HB3' ' A' ' 602' ' ' ASP . 8.5 mt -79.88 -13.81 59.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 74.409999999999997 110.881 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 596' ' ' GLY . . . . . . . . . . . . . . . 85.41 173.46 49.67 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.736 -0.745 . . . . 70.310000000000002 112.509 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 597' ' ' THR . . . . . 0.441 ' HA ' HG23 ' A' ' 592' ' ' VAL . 0.2 OUTLIER -88.12 11.71 15.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.821 0.343 . . . . 70.140000000000001 111.153 -179.888 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 598' ' ' GLY . . . . . . . . . . . . . . . -120.08 14.33 10.35 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.721 -0.752 . . . . 74.230000000000004 112.491 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 599' ' ' ARG . . . . . 0.651 ' O ' HG23 ' A' ' 603' ' ' VAL . 56.2 mtt85 -127.88 69.63 1.33 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.853 0.358 . . . . 64.230000000000004 110.827 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 600' ' ' TRP . . . . . 0.508 ' HB3' HD21 ' A' ' 619' ' ' LEU . 12.8 m0 -59.89 -50.34 74.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 71.530000000000001 110.875 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 601' ' ' ARG . . . . . . . . . . . . . 30.1 mtm180 -52.46 -47.87 66.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.426 . . . . 65.439999999999998 110.85 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 602' ' ' ASP . . . . . 0.7 ' HB3' HD22 ' A' ' 595' ' ' LEU . 1.7 m-20 -65.31 -37.11 86.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 73.109999999999999 110.892 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 603' ' ' VAL . . . . . 0.686 HG11 HD13 ' A' ' 619' ' ' LEU . 53.8 t -65.15 -31.96 56.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 63.140000000000001 111.179 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 604' ' ' LYS . . . . . 0.5 ' HG3' HD23 ' A' ' 619' ' ' LEU . 5.9 mtmt -68.4 -49.51 59.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 71.430000000000007 110.856 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 605' ' ' MET . . . . . . . . . . . . . 22.7 mmm -73.5 -31.52 63.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 64.239999999999995 110.898 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 606' ' ' ARG . . . . . 0.659 ' CB ' HD11 ' A' ' 595' ' ' LEU . 18.9 tpp180 -73.07 -40.96 64.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 53.399999999999999 110.853 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 607' ' ' ALA . . . . . 0.592 ' HA ' ' HB1' ' A' ' 587' ' ' ALA . . . -90.74 -70.13 0.69 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 54.539999999999999 111.061 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 608' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -70.78 125.25 26.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 74.239999999999995 110.892 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -71.47 -33.9 69.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 72.239999999999995 110.811 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 24.9 m120 -112.09 74.08 0.85 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 75.439999999999998 110.884 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 611' ' ' ALA . . . . . . . . . . . . . . . -110.3 57.85 0.61 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 72.530000000000001 111.036 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -79.65 -66.54 0.86 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.246 -0.434 . . . . 63.119999999999997 110.92 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 613' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -111.47 29.72 7.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 74.439999999999998 110.909 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 614' ' ' ARG . . . . . . . . . . . . . 39.7 ttm-85 -81.15 155.5 26.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 71.129999999999995 110.861 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 615' ' ' THR . . . . . 0.682 ' OG1' HG12 ' A' ' 617' ' ' VAL . 4.9 t -84.14 159.55 21.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 65.409999999999997 111.142 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 616' ' ' TYR . . . . . . . . . . . . . 11.6 p90 -87.16 -19.82 27.91 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.164 -0.471 . . . . 72.530000000000001 110.961 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 617' ' ' VAL . . . . . 0.682 HG12 ' OG1' ' A' ' 615' ' ' THR . 14.3 p -71.25 -33.15 49.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.108 -0.496 . . . . 54.229999999999997 111.174 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 618' ' ' ASP . . . . . 0.424 ' H ' HG23 ' A' ' 615' ' ' THR . 3.1 m-20 -52.01 -50.74 60.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.457 . . . . 72.109999999999999 110.817 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 619' ' ' LEU . . . . . 0.686 HD13 HG11 ' A' ' 603' ' ' VAL . 1.2 pp -71.0 -31.16 67.61 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.168 -0.469 . . . . 73.420000000000002 110.927 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 620' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.65 -37.62 88.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 74.049999999999997 110.882 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -71.75 -45.77 60.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 63.539999999999999 110.899 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 43.1 tttt -55.0 -42.62 72.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 65.439999999999998 110.897 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 623' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -73.32 -44.2 59.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.295 -0.411 . . . . 73.400000000000006 110.904 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.51 -45.22 81.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.291 -0.413 . . . . 75.109999999999999 110.942 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 14.5 t -72.31 -28.99 63.43 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.191 -0.459 . . . . 75.430000000000007 111.182 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 626' ' ' LEU . . . . . 0.641 HD13 HG22 ' A' ' 589' ' ' VAL . 0.4 OUTLIER -64.13 -55.5 21.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 72.400000000000006 110.92 179.901 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 627' ' ' VAL . . . . . 0.824 HG23 HD12 ' A' ' 651' ' ' LEU . 4.2 p -59.67 -45.07 94.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 74.230000000000004 111.153 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 628' ' ' HIS . . . . . 0.429 ' N ' HG13 ' A' ' 627' ' ' VAL . 0.3 OUTLIER -61.33 -26.58 67.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 74.010000000000005 110.872 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 629' ' ' THR . . . . . . . . . . . . . 3.0 m -78.5 -29.3 46.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 70.519999999999996 111.132 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 630' ' ' ALA . . . . . 0.751 ' HA ' HD13 ' A' ' 647' ' ' LEU . . . -53.95 -49.59 68.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 54.539999999999999 111.038 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 631' ' ' SER . . . . . 0.748 ' C ' HD12 ' A' ' 632' ' ' ILE . 10.8 t 172.58 69.67 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 71.120000000000005 110.889 -179.806 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 632' ' ' ILE . . . . . 0.748 HD12 ' C ' ' A' ' 631' ' ' SER . 2.0 mp -129.77 -73.28 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 64.450000000000003 111.11 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 633' ' ' ALA . . . . . 0.513 ' N ' HG22 ' A' ' 632' ' ' ILE . . . -103.52 135.32 19.39 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.538 0.685 . . . . 74.319999999999993 111.093 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 634' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.84 -29.94 22.66 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.68 2.254 . . . . 72.439999999999998 112.348 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 635' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -76.27 -13.09 60.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.25 -0.432 . . . . 65.420000000000002 110.91 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 44.3 mm-40 -79.9 -1.85 41.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.193 -0.458 . . . . 73.409999999999997 110.91 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 637' ' ' ARG . . . . . . . . . . . . . 28.0 ptt180 -84.38 134.66 34.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 73.340000000000003 110.813 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 638' ' ' ARG . . . . . . . . . . . . . 14.5 mmt180 -116.59 -16.39 10.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 72.519999999999996 110.925 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 639' ' ' GLY . . . . . . . . . . . . . . . 93.68 -30.03 7.86 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.683 -0.77 . . . . 71.319999999999993 112.507 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 640' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -52.04 160.76 1.1 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.704 0.764 . . . . 74.540000000000006 110.851 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 121.74 8.42 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.668 2.246 . . . . 55.119999999999997 112.339 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 642' ' ' VAL . . . . . 0.639 HG21 HD11 ' A' ' 647' ' ' LEU . 2.1 p -126.84 131.2 23.78 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.545 0.688 . . . . 75.340000000000003 111.114 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 643' ' ' PRO . . . . . 0.532 ' HD3' HG12 ' A' ' 582' ' ' VAL . 53.8 Cg_endo -69.79 128.71 16.39 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.649 2.233 . . . . 75.400000000000006 112.34 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -71.0 -19.51 62.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 42.399999999999999 110.87 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -70.12 -38.54 75.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 72.450000000000003 110.816 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 646' ' ' LEU . . . . . 0.468 HD13 HG12 ' A' ' 585' ' ' VAL . 44.5 mt -75.48 -43.44 49.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 62.310000000000002 110.889 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 647' ' ' LEU . . . . . 0.751 HD13 ' HA ' ' A' ' 630' ' ' ALA . 63.4 mt -65.28 -41.49 94.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 74.230000000000004 110.907 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -71.86 -35.18 69.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.22 -0.445 . . . . 71.439999999999998 110.846 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 12.5 mmt85 -72.9 -48.8 34.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 74.530000000000001 110.896 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 650' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -56.98 -33.41 42.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 65.540000000000006 111.136 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 651' ' ' LEU . . . . . 0.824 HD12 HG23 ' A' ' 627' ' ' VAL . 3.6 mp -72.2 -40.69 67.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 73.140000000000001 110.877 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -54.45 -51.59 64.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 73.540000000000006 111.057 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 653' ' ' ALA . . . . . 0.425 ' HB2' ' OE1' ' A' ' 593' ' ' GLU . . . -72.18 -47.09 53.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.275 -0.42 . . . . 44.420000000000002 111.082 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 654' ' ' HIS . . . . . . . . . . . . . 63.6 t60 -53.82 -43.36 69.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 64.239999999999995 110.803 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -77.39 -47.08 20.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 45.539999999999999 111.096 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 71.5 t80 -53.99 -50.3 66.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 72.219999999999999 110.949 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 657' ' ' TRP . . . . . . . . . . . . . 68.3 m95 -71.06 -33.29 70.12 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.104 -0.498 . . . . 73.109999999999999 110.905 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 2.3 t -56.91 -32.56 66.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 64.340000000000003 110.888 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 659' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -56.97 -24.5 53.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 75.510000000000005 110.878 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -89.28 -46.4 8.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 63.420000000000002 110.953 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -134.95 148.83 50.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 73.400000000000006 110.932 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 662' ' ' GLY . . . . . . . . . . . . . . . -109.69 170.21 14.19 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.728 -0.748 . . . . 74.420000000000002 112.471 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -176.11 144.28 0.58 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.742 0.306 . . . . 75.540000000000006 110.956 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -137.33 170.25 16.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 54.32 110.949 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 665' ' ' HIS . . . . . . . . . . . . . 10.8 t60 -175.05 163.62 3.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 71.329999999999998 110.888 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 666' ' ' VAL . . . . . . . . . . . . . 23.5 m -93.99 -174.45 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 64.420000000000002 111.12 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -129.95 157.54 76.57 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.57 0.7 . . . . 73.030000000000001 110.864 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 668' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.85 -170.84 0.42 Allowed 'Trans proline' 0 C--O 1.233 0.229 0 C-N-CA 122.659 2.239 . . . . 65.140000000000001 112.309 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 669' ' ' LEU . . . . . . . . . . . . . 17.9 tp -128.35 159.5 35.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 63.130000000000003 110.86 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 670' ' ' LYS . . . . . . . . . . . . . 17.5 ptmt -120.75 179.76 4.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 74.409999999999997 110.877 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 671' ' ' ILE . . . . . . . . . . . . . 41.2 pt -139.9 -176.51 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 75.099999999999994 111.192 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 672' ' ' LEU . . . . . 0.581 HD13 ' N ' ' A' ' 673' ' ' ASP . 0.3 OUTLIER -123.57 133.28 53.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 73.420000000000002 110.86 179.932 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 673' ' ' ASP . . . . . 0.581 ' N ' HD13 ' A' ' 672' ' ' LEU . 75.5 m-20 -82.93 -63.41 1.37 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 73.200000000000003 110.864 179.782 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 674' ' ' ALA . . . . . 0.47 ' HB2' HD12 ' A' ' 672' ' ' LEU . . . 62.54 55.08 2.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 65.209999999999994 111.127 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 16.3 ptmt -93.46 176.38 6.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 74.129999999999995 110.915 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . -167.86 167.87 12.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 61.25 111.12 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -175.53 176.93 1.86 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 52.030000000000001 110.939 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 678' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.62 52.95 2.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 75.409999999999997 110.924 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 679' ' ' VAL . . . . . . . . . . . . . 27.6 m -69.58 -31.99 51.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 74.340000000000003 111.171 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 680' ' ' GLY . . . . . . . . . . . . . . . 171.36 -170.99 43.76 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.683 -0.77 . . . . 43.229999999999997 112.484 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 681' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-O 120.798 0.332 . . . . 72.430000000000007 111.087 -179.992 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 561' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 C--O 1.231 0.141 0 CA-C-O 120.873 0.28 . . . . 64.519999999999996 112.3 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 562' ' ' VAL . . . . . . . . . . . . . 64.3 t -121.17 82.61 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 62.210000000000001 111.163 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 563' ' ' ASN . . . . . . . . . . . . . 25.8 m-80 -144.07 105.7 4.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.088 -0.505 . . . . 71.150000000000006 110.866 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -151.47 110.39 3.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 73.329999999999998 110.9 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 565' ' ' LYS . . . . . . . . . . . . . 22.1 ttmt -157.71 110.99 2.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 72.299999999999997 110.887 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 1.8 p -119.2 111.22 17.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 63.109999999999999 110.868 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 567' ' ' LYS . . . . . . . . . . . . . 16.2 mmmt -117.04 -69.64 0.84 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 43.130000000000003 110.908 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 61.5 mmt-85 -79.32 97.66 6.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 74.299999999999997 110.873 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 4.1 m -101.29 125.46 47.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 61.130000000000003 110.848 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -152.46 119.95 6.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.105 -0.498 . . . . 64.140000000000001 110.874 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 3.5 pp -116.1 144.15 44.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 75.319999999999993 110.89 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 90.0 p -145.18 103.56 3.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 72.299999999999997 110.886 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 573' ' ' GLN . . . . . . . . . . . . . 19.8 mm-40 -89.85 -174.28 4.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 62.409999999999997 110.937 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 574' ' ' ARG . . . . . . . . . . . . . 84.0 mtm180 -95.58 25.42 4.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 71.150000000000006 110.863 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 28.2 mtp85 -144.32 178.99 7.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 75.530000000000001 110.867 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 576' ' ' ILE . . . . . . . . . . . . . 10.8 tp -102.42 -24.15 4.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 75.439999999999998 111.15 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 28.7 mmt180 -65.61 149.32 50.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 74.140000000000001 110.923 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 578' ' ' ARG . . . . . . . . . . . . . 13.5 mtp85 -119.96 160.0 44.62 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.607 0.718 . . . . 73.340000000000003 110.92 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.8 80.32 0.9 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.679 2.253 . . . . 64.230000000000004 112.311 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 580' ' ' PHE . . . . . . . . . . . . . 7.2 p90 -92.56 143.94 25.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 74.120000000000005 110.866 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 581' ' ' SER . . . . . 0.554 ' O ' HG23 ' A' ' 585' ' ' VAL . 1.5 m -109.74 178.78 4.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 63.229999999999997 110.943 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 582' ' ' VAL . . . . . 0.454 HG12 ' OE1' ' A' ' 586' ' ' GLU . 93.2 t -53.08 -39.14 31.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 75.319999999999993 111.159 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -69.42 -47.11 65.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.12 -0.491 . . . . 71.209999999999994 111.07 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 584' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -60.39 -54.89 40.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.453 . . . . 73.109999999999999 110.877 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 585' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 581' ' ' SER . 21.5 t -58.05 -34.2 48.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 53.32 111.171 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 586' ' ' GLU . . . . . 0.591 ' HG3' HD11 ' A' ' 646' ' ' LEU . 2.4 mt-10 -61.16 -51.51 68.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 62.530000000000001 110.899 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 587' ' ' ALA . . . . . . . . . . . . . . . -65.16 -29.5 70.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.48 . . . . 71.439999999999998 111.083 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 588' ' ' LEU . . . . . 0.642 HD21 ' HA ' ' A' ' 619' ' ' LEU . 0.2 OUTLIER -68.06 -55.07 13.86 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.234 -0.439 . . . . 74.25 110.898 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 589' ' ' VAL . . . . . 0.515 HG12 ' O ' ' A' ' 585' ' ' VAL . 7.4 p -69.01 -44.18 81.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 75.299999999999997 111.166 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 590' ' ' GLU . . . . . 0.454 ' N ' HG13 ' A' ' 589' ' ' VAL . 59.3 mt-10 -51.36 -48.04 62.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.455 . . . . 71.420000000000002 110.934 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 591' ' ' ALA . . . . . 0.495 ' HB3' HG13 ' A' ' 603' ' ' VAL . . . -67.89 -35.92 79.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.089 -0.505 . . . . 75.540000000000006 111.079 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 592' ' ' VAL . . . . . . . . . . . . . 15.3 t -69.88 -27.23 32.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 75.400000000000006 111.151 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 593' ' ' GLU . . . . . 0.476 ' OE2' ' HB2' ' A' ' 653' ' ' ALA . 1.0 OUTLIER -74.54 -36.45 63.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 64.430000000000007 110.877 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -85.91 -48.04 9.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 74.409999999999997 110.816 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 595' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -80.11 -24.4 40.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.261 -0.427 . . . . 62.240000000000002 110.897 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 596' ' ' GLY . . . . . . . . . . . . . . . 86.22 -171.41 44.16 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.652 -0.785 . . . . 64.010000000000005 112.397 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 5.4 p -98.77 32.47 2.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.801 0.334 . . . . 42.329999999999998 111.172 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 598' ' ' GLY . . . . . . . . . . . . . . . -134.27 4.19 4.48 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.696 -0.764 . . . . 55.43 112.531 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 599' ' ' ARG . . . . . 0.651 ' O ' HG23 ' A' ' 603' ' ' VAL . 42.1 mtt85 -133.84 84.29 2.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.856 0.36 . . . . 71.109999999999999 110.864 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 600' ' ' TRP . . . . . 0.563 ' HB3' HD11 ' A' ' 619' ' ' LEU . 9.7 m0 -69.62 -50.84 40.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 75.239999999999995 110.979 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 601' ' ' ARG . . . . . . . . . . . . . 24.3 ptt180 -53.4 -47.68 69.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 75.340000000000003 110.873 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 602' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -60.98 -39.5 89.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.293 -0.412 . . . . 73.340000000000003 110.882 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 603' ' ' VAL . . . . . 0.651 HG23 ' O ' ' A' ' 599' ' ' ARG . 32.9 t -59.1 -33.23 49.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 44.439999999999998 111.092 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 14.0 tptp -69.44 -45.35 69.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 62.240000000000002 110.977 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 605' ' ' MET . . . . . . . . . . . . . 29.3 mtt -72.38 -31.52 65.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 63.43 110.827 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 606' ' ' ARG . . . . . . . . . . . . . 17.7 tpp180 -78.23 -40.47 37.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.202 -0.454 . . . . 75.109999999999999 110.859 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -80.34 -70.49 0.52 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 52.43 111.076 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 608' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -72.18 123.88 23.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 72.329999999999998 110.914 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -73.68 -35.17 65.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 74.299999999999997 110.824 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 25.6 t30 -138.65 65.79 1.45 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 51.450000000000003 110.829 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 611' ' ' ALA . . . . . . . . . . . . . . . -69.38 -21.32 63.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 64.120000000000005 111.131 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 63.9 15.58 9.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 74.230000000000004 110.826 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 613' ' ' HIS . . . . . . . . . . . . . 3.5 p80 179.08 171.02 0.9 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 73.349999999999994 110.892 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 614' ' ' ARG . . . . . . . . . . . . . 41.2 ttp180 -111.39 101.43 9.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 71.030000000000001 110.88 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 615' ' ' THR . . . . . 0.439 HG22 ' H ' ' A' ' 616' ' ' TYR . 0.3 OUTLIER -102.56 167.73 9.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 61.520000000000003 111.131 -179.896 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 616' ' ' TYR . . . . . 0.439 ' H ' HG22 ' A' ' 615' ' ' THR . 10.4 p90 -140.63 -40.42 0.41 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 75.450000000000003 110.936 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 617' ' ' VAL . . . . . . . . . . . . . 10.1 p -70.84 -33.79 53.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 74.010000000000005 111.185 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 618' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.14 -51.87 67.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 74.310000000000002 110.816 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 619' ' ' LEU . . . . . 0.642 ' HA ' HD21 ' A' ' 588' ' ' LEU . 1.8 pp -74.7 -27.73 60.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.256 -0.429 . . . . 51.539999999999999 110.943 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 620' ' ' LYS . . . . . . . . . . . . . 21.3 ttpp -70.07 -35.95 74.59 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.205 -0.452 . . . . 73.409999999999997 110.854 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -71.5 -47.05 57.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 71.540000000000006 110.881 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.59 -30.37 71.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 73.5 110.904 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 623' ' ' TRP . . . . . . . . . . . . . 1.5 t90 -71.36 -55.03 8.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 71.349999999999994 110.969 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 4.7 tmtt? -50.62 -49.06 57.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 62.210000000000001 110.89 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 11.3 t -64.42 -30.96 71.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 61.350000000000001 111.08 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 626' ' ' LEU . . . . . 0.489 HD11 ' CG1' ' A' ' 585' ' ' VAL . 0.5 OUTLIER -62.85 -53.81 48.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.264 -0.425 . . . . 75.530000000000001 110.965 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 627' ' ' VAL . . . . . 0.573 ' O ' HD13 ' A' ' 632' ' ' ILE . 76.9 t -55.51 -53.95 30.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.102 -0.499 . . . . 75.409999999999997 111.133 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 628' ' ' HIS . . . . . 0.536 ' HA ' HD13 ' A' ' 632' ' ' ILE . 10.6 m80 -52.4 -35.77 52.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.168 -0.469 . . . . 74.319999999999993 110.868 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 629' ' ' THR . . . . . . . . . . . . . 26.4 m -67.66 -29.98 69.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 74.319999999999993 111.151 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 630' ' ' ALA . . . . . 0.668 ' HA ' HD13 ' A' ' 647' ' ' LEU . . . -53.69 -48.9 69.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 62.030000000000001 111.052 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 631' ' ' SER . . . . . 0.683 ' C ' HD12 ' A' ' 632' ' ' ILE . 1.1 p 168.66 67.27 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.244 -0.435 . . . . 72.030000000000001 110.893 -179.735 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 632' ' ' ILE . . . . . 0.683 HD12 ' C ' ' A' ' 631' ' ' SER . 2.3 mp -125.24 -77.04 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 64.430000000000007 111.133 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 633' ' ' ALA . . . . . 0.497 ' N ' HG22 ' A' ' 632' ' ' ILE . . . -104.38 133.34 20.26 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.582 0.706 . . . . 62.210000000000001 111.073 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 634' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -27.2 26.75 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.668 2.245 . . . . 74.239999999999995 112.367 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 635' ' ' GLN . . . . . . . . . . . . . 23.4 pt20 -77.64 -12.88 60.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.254 -0.43 . . . . 71.439999999999998 110.886 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 13.2 mm-40 -79.45 -11.03 59.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 74.209999999999994 110.967 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 637' ' ' ARG . . . . . . . . . . . . . 60.0 mtp180 -84.59 114.14 21.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.115 -0.493 . . . . 72.349999999999994 110.876 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 638' ' ' ARG . . . . . . . . . . . . . 1.8 tpp180 -84.88 -75.72 0.34 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.217 -0.447 . . . . 72.430000000000007 110.88 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 639' ' ' GLY . . . . . . . . . . . . . . . -177.35 -40.99 0.06 OUTLIER Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.768 -0.729 . . . . 75.030000000000001 112.457 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 640' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -50.96 137.07 26.83 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.668 0.746 . . . . 64.140000000000001 110.901 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.83 121.59 8.26 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.685 2.256 . . . . 73.200000000000003 112.368 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 642' ' ' VAL . . . . . . . . . . . . . 11.8 t -108.39 133.23 20.65 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.54 0.685 . . . . 72.129999999999995 111.165 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 128.7 16.41 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.696 2.264 . . . . 43.119999999999997 112.369 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -63.14 -19.7 64.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.25 -0.432 . . . . 50.350000000000001 110.874 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -62.78 -44.43 96.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 55.020000000000003 110.878 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 646' ' ' LEU . . . . . 0.591 HD11 ' HG3' ' A' ' 586' ' ' GLU . 43.7 mt -75.21 -44.89 43.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 75.430000000000007 110.937 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 647' ' ' LEU . . . . . 0.668 HD13 ' HA ' ' A' ' 630' ' ' ALA . 45.2 mt -62.13 -38.13 87.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 71.439999999999998 110.922 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -73.25 -30.77 63.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 73.430000000000007 110.863 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 14.1 mtt180 -73.64 -48.97 28.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 72.010000000000005 110.904 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 650' ' ' VAL . . . . . . . . . . . . . 1.4 p -61.5 -33.07 55.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 72.239999999999995 111.131 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 651' ' ' LEU . . . . . 0.531 ' CD1' ' HB1' ' A' ' 630' ' ' ALA . 15.4 mt -71.16 -39.74 71.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 72.209999999999994 110.898 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -68.52 -42.62 78.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 53.43 111.082 179.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 653' ' ' ALA . . . . . 0.476 ' HB2' ' OE2' ' A' ' 593' ' ' GLU . . . -71.61 -49.57 38.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.255 -0.429 . . . . 32.219999999999999 111.148 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 654' ' ' HIS . . . . . . . . . . . . . 17.3 t-80 -55.42 -45.19 76.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.283 -0.417 . . . . 75.129999999999995 110.828 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -71.25 -46.87 60.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.431 . . . . 43.340000000000003 111.065 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 75.6 t80 -56.46 -49.29 75.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 74.109999999999999 110.994 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 657' ' ' TRP . . . . . . . . . . . . . 68.0 m95 -70.15 -35.94 74.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.113 -0.494 . . . . 75.319999999999993 110.965 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 12.4 t -54.05 -37.12 63.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 70.319999999999993 110.841 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 659' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -57.01 -24.43 53.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.076 -0.511 . . . . 65.409999999999997 110.876 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 18.9 mm100 -125.47 39.78 3.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 71.5 110.928 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 42.5 tp60 -146.22 160.65 41.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 74.400000000000006 110.864 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 662' ' ' GLY . . . . . . . . . . . . . . . -103.88 -175.39 25.7 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.675 -0.774 . . . . 74.329999999999998 112.479 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 19.4 mtmt 52.22 71.36 0.47 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.685 0.279 . . . . 71.510000000000005 110.929 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.09 166.69 18.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 72.219999999999999 110.947 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 665' ' ' HIS . . . . . . . . . . . . . 47.8 m80 -108.19 -71.0 0.78 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.447 . . . . 75.200000000000003 110.78 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 666' ' ' VAL . . . . . . . . . . . . . 12.3 p -76.75 150.74 6.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 72.030000000000001 111.148 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.4 160.96 80.1 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.648 0.737 . . . . 72.099999999999994 110.867 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 668' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.69 -31.35 20.99 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.745 2.296 . . . . 72.010000000000005 112.289 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 669' ' ' LEU . . . . . . . . . . . . . 25.7 mt 62.31 17.57 9.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 75.519999999999996 110.95 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 670' ' ' LYS . . . . . . . . . . . . . 55.1 tttm -148.77 154.03 38.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.164 -0.471 . . . . 72.430000000000007 110.891 179.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 671' ' ' ILE . . . . . . . . . . . . . 28.2 pt -61.86 145.49 13.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 63.509999999999998 111.1 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -115.29 172.77 6.88 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.173 -0.467 . . . . 63.530000000000001 110.943 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 673' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -174.97 140.86 0.55 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.152 -0.476 . . . . 63.219999999999999 110.861 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -178.64 141.53 0.21 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 63.399999999999999 111.123 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.11 115.45 0.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 52.409999999999997 110.818 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . -136.4 123.88 22.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.478 . . . . 72.140000000000001 111.123 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -173.86 150.56 1.67 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 54.399999999999999 110.914 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 678' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -118.2 135.52 54.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.222 -0.444 . . . . 63.43 110.959 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 679' ' ' VAL . . . . . . . . . . . . . 8.4 p -142.53 132.06 22.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 72.409999999999997 111.115 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 680' ' ' GLY . . . . . . . . . . . . . . . -129.48 134.19 7.83 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.776 -0.726 . . . . 74.349999999999994 112.487 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 681' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-O 120.742 0.306 . . . . 63.109999999999999 111.098 179.976 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 561' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 N--CA 1.465 -0.168 0 CA-C-O 120.828 0.262 . . . . 72.239999999999995 112.361 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 562' ' ' VAL . . . . . . . . . . . . . 9.2 m -111.12 -27.65 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.271 -0.422 . . . . 71.340000000000003 111.124 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 563' ' ' ASN . . . . . . . . . . . . . 6.4 p-10 40.94 40.67 1.06 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.485 . . . . 75.25 110.928 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -96.29 113.23 24.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 75.340000000000003 110.928 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 565' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.62 107.62 18.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 53.210000000000001 110.854 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 3.6 p -99.5 116.24 31.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 74.129999999999995 110.851 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 567' ' ' LYS . . . . . . . . . . . . . 26.5 tttp -125.0 85.02 2.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 63.310000000000002 110.81 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 15.7 ptp180 -141.26 -177.15 4.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 64.140000000000001 110.894 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 2.1 t -88.15 139.63 30.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 51.399999999999999 110.845 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -123.0 43.71 2.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.121 -0.491 . . . . 71.510000000000005 110.9 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 17.3 mt -116.81 134.83 54.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 35.530000000000001 110.966 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 37.3 p -79.25 159.76 27.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 71.25 110.908 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 573' ' ' GLN . . . . . . . . . . . . . 45.3 mm-40 -64.72 106.55 1.22 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 74.5 110.862 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 574' ' ' ARG . . . . . . . . . . . . . 74.6 mtm-85 -132.11 173.96 10.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 65.099999999999994 110.887 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 16.4 ttp180 -119.91 164.35 16.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 74.400000000000006 110.837 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 576' ' ' ILE . . . . . . . . . . . . . 5.3 mp -94.61 -55.83 5.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 71.209999999999994 111.181 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 35.4 ttm180 -70.28 108.25 4.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 54.140000000000001 110.919 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 578' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -88.13 160.19 46.5 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.629 0.728 . . . . 75.200000000000003 110.902 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -170.92 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.788 2.325 . . . . 73.129999999999995 112.302 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 580' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -86.96 144.22 27.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 63.210000000000001 110.868 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 581' ' ' SER . . . . . 0.429 ' O ' HG23 ' A' ' 585' ' ' VAL . 74.1 m -73.99 160.77 30.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 71.540000000000006 110.818 -179.793 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 582' ' ' VAL . . . . . . . . . . . . . 29.3 m -53.41 -34.31 22.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 75.319999999999993 111.116 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -64.0 -46.11 86.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 73.329999999999998 111.106 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 584' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -71.22 -47.97 54.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.177 -0.465 . . . . 73.420000000000002 110.872 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 585' ' ' VAL . . . . . 0.439 ' CG1' HD11 ' A' ' 626' ' ' LEU . 98.4 t -54.52 -34.71 29.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 71.239999999999995 111.155 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -53.25 -48.73 67.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 72.120000000000005 110.872 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 587' ' ' ALA . . . . . 0.76 ' HB1' ' HA ' ' A' ' 607' ' ' ALA . . . -58.78 -43.54 90.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 64.340000000000003 111.102 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 588' ' ' LEU . . . . . 0.569 ' O ' HD13 ' A' ' 588' ' ' LEU . 2.1 tm? -55.53 -46.83 77.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 73.439999999999998 110.917 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 589' ' ' VAL . . . . . 0.444 ' HA ' HG12 ' A' ' 592' ' ' VAL . 29.0 t -71.64 -55.87 12.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 72.310000000000002 111.119 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -53.0 -30.53 35.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 73.409999999999997 110.861 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 591' ' ' ALA . . . . . 0.473 ' HB2' ' HG3' ' A' ' 606' ' ' ARG . . . -76.11 -48.78 19.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.131 -0.486 . . . . 44.100000000000001 111.116 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 592' ' ' VAL . . . . . 0.735 HG11 ' CE3' ' A' ' 623' ' ' TRP . 9.3 p -74.13 -22.26 18.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 72.319999999999993 111.149 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -72.33 -42.76 65.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 72.409999999999997 110.883 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 4.7 t-80 -82.54 -44.78 15.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 70.310000000000002 110.828 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 595' ' ' LEU . . . . . 0.482 HD13 ' HB3' ' A' ' 602' ' ' ASP . 8.3 mt -79.85 -18.05 51.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 75.140000000000001 110.927 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 596' ' ' GLY . . . . . . . . . . . . . . . 85.42 -179.77 50.55 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.819 -0.705 . . . . 62.539999999999999 112.509 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 2.6 p -92.72 27.9 2.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.844 0.354 . . . . 73.239999999999995 111.129 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 598' ' ' GLY . . . . . . . . . . . . . . . -126.21 -5.43 6.16 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.777 -0.725 . . . . 54.43 112.499 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 599' ' ' ARG . . . . . 0.685 ' O ' HG23 ' A' ' 603' ' ' VAL . 0.0 OUTLIER -123.33 79.78 1.71 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.762 0.315 . . . . 53.539999999999999 110.889 -179.815 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 600' ' ' TRP . . . . . 0.635 ' HB3' HD11 ' A' ' 619' ' ' LEU . 5.0 m0 -69.68 -43.04 73.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.243 -0.435 . . . . 75.109999999999999 110.884 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 601' ' ' ARG . . . . . . . . . . . . . 18.6 ttm180 -52.76 -49.09 66.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.274 -0.421 . . . . 71.409999999999997 110.914 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 602' ' ' ASP . . . . . 0.482 ' HB3' HD13 ' A' ' 595' ' ' LEU . 7.8 m-20 -66.78 -31.51 72.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 72.109999999999999 110.847 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 603' ' ' VAL . . . . . 0.685 HG23 ' O ' ' A' ' 599' ' ' ARG . 40.2 t -65.85 -35.79 75.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 72.409999999999997 111.078 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 16.8 tptp -69.07 -46.33 68.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 70.200000000000003 110.911 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 605' ' ' MET . . . . . . . . . . . . . 11.8 mmm -72.48 -31.46 65.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 73.340000000000003 110.932 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 606' ' ' ARG . . . . . 0.473 ' HG3' ' HB2' ' A' ' 591' ' ' ALA . 18.5 tpp180 -77.09 -40.34 46.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 72.120000000000005 110.825 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 607' ' ' ALA . . . . . 0.76 ' HA ' ' HB1' ' A' ' 587' ' ' ALA . . . -80.81 -66.86 0.83 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.286 -0.415 . . . . 62.119999999999997 111.125 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 608' ' ' PHE . . . . . 0.47 ' HB2' ' HB2' ' A' ' 611' ' ' ALA . 69.2 m-85 -71.05 124.73 25.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 74.140000000000001 110.909 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -71.94 -34.27 68.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.076 -0.511 . . . . 73.400000000000006 110.85 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 23.9 m120 -125.72 75.82 1.52 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 61.210000000000001 110.935 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 611' ' ' ALA . . . . . 0.47 ' HB2' ' HB2' ' A' ' 608' ' ' PHE . . . -107.16 84.4 1.97 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 43.420000000000002 111.02 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 47.2 m-20 -51.67 -55.25 20.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 45.240000000000002 110.912 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 613' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -97.56 126.73 43.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.166 -0.47 . . . . 73.230000000000004 110.789 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 614' ' ' ARG . . . . . . . . . . . . . 11.1 mtp180 -72.18 102.98 3.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 72.420000000000002 110.862 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 615' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.43 158.16 16.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 75.430000000000007 111.126 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 616' ' ' TYR . . . . . . . . . . . . . 15.7 p90 -128.56 -37.93 1.76 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 74.129999999999995 110.92 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 617' ' ' VAL . . . . . . . . . . . . . 10.5 p -69.01 -33.38 58.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.082 -0.508 . . . . 50.210000000000001 111.138 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 618' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.07 -51.18 67.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 74.510000000000005 110.835 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 619' ' ' LEU . . . . . 0.635 HD11 ' HB3' ' A' ' 600' ' ' TRP . 3.6 pp -73.07 -37.87 66.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 75.519999999999996 110.933 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 620' ' ' LYS . . . . . 0.513 ' N ' HD12 ' A' ' 619' ' ' LEU . 0.6 OUTLIER -66.63 -33.6 76.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 60.43 110.894 179.832 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -68.35 -49.3 61.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 74.230000000000004 110.842 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.63 -43.97 80.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 72.530000000000001 110.835 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 623' ' ' TRP . . . . . 0.735 ' CE3' HG11 ' A' ' 592' ' ' VAL . 14.6 t-105 -64.34 -45.18 88.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 71.409999999999997 110.903 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -49.33 -51.49 34.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 73.200000000000003 110.896 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 11.2 t -72.22 -27.32 62.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.246 -0.434 . . . . 70.439999999999998 111.191 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 626' ' ' LEU . . . . . 0.752 HD22 HG21 ' A' ' 650' ' ' VAL . 0.4 OUTLIER -63.05 -55.58 24.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 74.230000000000004 110.925 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 627' ' ' VAL . . . . . 0.648 ' O ' HD13 ' A' ' 632' ' ' ILE . 4.1 p -59.92 -44.7 95.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 70.439999999999998 111.103 179.804 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 628' ' ' HIS . . . . . 0.426 ' N ' HG13 ' A' ' 627' ' ' VAL . 3.3 m170 -60.19 -26.84 66.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 54.520000000000003 110.851 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 629' ' ' THR . . . . . . . . . . . . . 17.4 m -77.46 -29.45 52.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.173 -0.467 . . . . 75.099999999999994 111.206 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 630' ' ' ALA . . . . . 0.591 ' HA ' HD13 ' A' ' 647' ' ' LEU . . . -53.13 -48.27 68.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 64.340000000000003 111.075 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 631' ' ' SER . . . . . 0.732 ' C ' HD12 ' A' ' 632' ' ' ILE . 0.4 OUTLIER 172.66 67.66 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 52.43 110.858 -179.799 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 632' ' ' ILE . . . . . 0.732 HD12 ' C ' ' A' ' 631' ' ' SER . 2.3 mp -130.75 -73.7 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 71.329999999999998 111.106 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 633' ' ' ALA . . . . . 0.556 ' HB3' ' CG ' ' A' ' 636' ' ' GLN . . . -103.11 139.22 19.91 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.546 0.688 . . . . 55.399999999999999 111.135 179.82 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 634' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.65 -39.1 7.13 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.685 2.257 . . . . 73.450000000000003 112.39 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 635' ' ' GLN . . . . . . . . . . . . . 27.9 pt20 -73.46 -13.34 61.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 73.099999999999994 110.942 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 636' ' ' GLN . . . . . 0.556 ' CG ' ' HB3' ' A' ' 633' ' ' ALA . 84.2 mm-40 -80.47 -28.89 37.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 63.43 110.961 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 637' ' ' ARG . . . . . . . . . . . . . 24.7 ttp180 -84.57 113.64 21.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 71.140000000000001 110.851 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 638' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.1 -169.81 0.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 74.129999999999995 110.887 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 639' ' ' GLY . . . . . . . . . . . . . . . 66.22 -158.93 47.83 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.778 -0.725 . . . . 71.209999999999994 112.491 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 640' ' ' GLU . . . . . . . . . . . . . 2.7 pm0 -51.92 153.34 4.57 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.629 0.728 . . . . 75.409999999999997 110.882 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.66 122.12 8.83 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.778 2.319 . . . . 71.140000000000001 112.319 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 642' ' ' VAL . . . . . 0.648 HG21 HD11 ' A' ' 647' ' ' LEU . 12.1 m -95.43 139.19 21.87 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.571 0.701 . . . . 70.530000000000001 111.115 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 128.78 16.59 Favored 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.713 2.275 . . . . 55.530000000000001 112.428 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -62.18 -18.57 61.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 61.439999999999998 110.868 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -65.58 -42.48 91.7 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.22 -0.446 . . . . 64.129999999999995 110.904 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 646' ' ' LEU . . . . . 0.652 ' O ' HG23 ' A' ' 650' ' ' VAL . 38.6 mt -74.31 -48.82 25.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 73.209999999999994 110.835 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 647' ' ' LEU . . . . . 0.648 HD11 HG21 ' A' ' 642' ' ' VAL . 55.9 mt -54.09 -41.31 68.11 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.219 -0.446 . . . . 52.229999999999997 110.967 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -64.55 -49.64 70.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 70.299999999999997 110.821 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 649' ' ' ARG . . . . . 0.421 ' O ' ' HB3' ' A' ' 652' ' ' ALA . 3.4 mmm180 -62.55 -39.77 94.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 72.310000000000002 110.863 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 650' ' ' VAL . . . . . 0.752 HG21 HD22 ' A' ' 626' ' ' LEU . 75.2 t -58.78 -51.37 72.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 63.229999999999997 111.106 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 651' ' ' LEU . . . . . 0.541 HD23 HG23 ' A' ' 627' ' ' VAL . 14.4 mt -61.37 -25.35 67.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 64.530000000000001 110.895 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 652' ' ' ALA . . . . . 0.603 ' HA ' HG23 ' A' ' 671' ' ' ILE . . . -64.99 -51.76 59.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 72.530000000000001 111.092 179.796 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 653' ' ' ALA . . . . . 0.476 ' HB3' ' CH2' ' A' ' 623' ' ' TRP . . . -72.07 -44.54 63.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 63.450000000000003 111.091 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 654' ' ' HIS . . . . . 0.547 ' CG ' HG21 ' A' ' 627' ' ' VAL . 13.7 t-80 -54.12 -44.69 71.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.311 -0.404 . . . . 63.210000000000001 110.879 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -77.51 -47.11 20.4 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.155 -0.475 . . . . 60.020000000000003 111.069 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -54.03 -50.38 66.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 74.430000000000007 110.883 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 657' ' ' TRP . . . . . . . . . . . . . 69.2 m95 -71.05 -32.75 69.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.165 -0.471 . . . . 65.230000000000004 110.919 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 2.4 t -56.57 -35.26 67.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.271 -0.422 . . . . 75.310000000000002 110.873 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 659' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -57.47 -26.22 60.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 72.299999999999997 110.904 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 14.9 mm-40 -92.01 -59.88 2.0 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 74.200000000000003 110.931 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -74.29 -176.3 2.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 74.409999999999997 110.938 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 662' ' ' GLY . . . . . . . . . . . . . . . -62.62 -166.28 0.59 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.73 -0.748 . . . . 74.109999999999999 112.445 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.19 179.46 8.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.676 0.274 . . . . 74.040000000000006 110.914 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 664' ' ' GLN . . . . . 0.719 ' O ' HG12 ' A' ' 666' ' ' VAL . 13.2 mm100 -151.55 179.26 8.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.27 -0.423 . . . . 72.239999999999995 110.905 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 665' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -52.37 107.3 0.2 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 72.409999999999997 110.826 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 666' ' ' VAL . . . . . 0.719 HG12 ' O ' ' A' ' 664' ' ' GLN . 7.2 p -172.8 144.84 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.226 -0.443 . . . . 41.130000000000003 111.142 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -80.89 160.55 66.08 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.629 0.728 . . . . 73.510000000000005 110.932 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 668' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 173.69 10.6 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.716 2.277 . . . . 70.200000000000003 112.317 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 669' ' ' LEU . . . . . . . . . . . . . 2.0 tp -174.22 157.25 2.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 75.230000000000004 110.886 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 670' ' ' LYS . . . . . . . . . . . . . 8.0 mmmm -88.92 139.03 30.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.49 . . . . 63.32 110.887 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 671' ' ' ILE . . . . . 0.603 HG23 ' HA ' ' A' ' 652' ' ' ALA . 65.9 mt -101.56 145.28 11.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.458 . . . . 74.340000000000003 111.157 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 9.4 tp -119.56 146.17 45.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 71.230000000000004 110.94 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 673' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -155.47 161.34 40.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 64.409999999999997 110.886 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -145.21 168.01 21.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 42.020000000000003 111.099 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 14.2 ttmt -137.15 113.05 9.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 73.230000000000004 110.884 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . -83.75 148.21 27.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 73.0 111.037 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -109.77 -179.5 3.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 62.340000000000003 110.897 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 678' ' ' LYS . . . . . . . . . . . . . 22.4 tptt -167.3 141.3 3.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 64.140000000000001 110.861 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 679' ' ' VAL . . . . . . . . . . . . . 14.4 p -100.29 147.37 7.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 74.409999999999997 111.187 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 680' ' ' GLY . . . . . . . . . . . . . . . -109.17 -69.59 0.64 Allowed Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.753 -0.737 . . . . 61.439999999999998 112.415 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 681' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.34 0 CA-C-O 120.74 0.305 . . . . 64.5 111.032 -179.963 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 561' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.766 0.236 . . . . 75.430000000000007 112.383 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 562' ' ' VAL . . . . . . . . . . . . . 7.3 m -151.84 113.81 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 73.450000000000003 111.151 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 563' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -129.74 80.71 1.98 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.142 -0.481 . . . . 71.030000000000001 110.861 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -56.32 123.17 13.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 71.400000000000006 110.923 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 565' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.77 100.08 9.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 74.019999999999996 110.95 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 24.0 p -121.37 120.06 33.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 53.520000000000003 110.823 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 567' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.67 168.09 20.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.091 -0.504 . . . . 63.130000000000003 110.834 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 16.2 ptt180 -132.43 178.23 6.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 72.230000000000004 110.845 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 19.7 m -104.0 137.16 42.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.211 -0.449 . . . . 75.340000000000003 110.831 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -95.15 138.57 32.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 70.310000000000002 110.921 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 13.6 mt -91.03 123.58 34.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 73.129999999999995 110.936 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 11.9 t -88.63 -178.27 5.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 61.43 110.853 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 573' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -114.66 -38.58 3.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 75.200000000000003 110.903 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 574' ' ' ARG . . . . . . . . . . . . . 49.4 mtm180 -81.92 143.53 31.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 62.409999999999997 110.875 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 72.3 mtp85 -151.98 53.01 0.81 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 63.210000000000001 110.842 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 576' ' ' ILE . . . . . . . . . . . . . 6.8 pt -135.0 138.57 48.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 63.119999999999997 111.105 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 13.6 mmt180 -145.4 -175.74 4.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 73.129999999999995 110.892 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 578' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -105.27 155.54 37.66 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.569 0.699 . . . . 65.430000000000007 110.91 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.82 83.38 0.71 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.601 2.2 . . . . 74.219999999999999 112.377 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 580' ' ' PHE . . . . . . . . . . . . . 10.1 p90 -92.36 140.74 29.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 72.109999999999999 110.972 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 41.2 m -109.03 -179.39 3.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 64.239999999999995 110.878 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 582' ' ' VAL . . . . . . . . . . . . . 14.0 m -51.77 -37.57 20.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 73.310000000000002 111.141 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -69.03 -43.68 74.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 62.439999999999998 111.088 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 584' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -65.82 -55.24 18.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 74.109999999999999 110.843 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 585' ' ' VAL . . . . . 0.628 HG22 ' HE3' ' A' ' 622' ' ' LYS . 80.6 t -54.68 -34.03 28.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.475 . . . . 72.439999999999998 111.149 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 586' ' ' GLU . . . . . 0.525 ' HG2' HD21 ' A' ' 646' ' ' LEU . 34.0 mt-10 -56.3 -38.93 71.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 72.510000000000005 110.889 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 587' ' ' ALA . . . . . . . . . . . . . . . -68.16 -34.12 75.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.108 -0.496 . . . . 61.420000000000002 111.054 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 588' ' ' LEU . . . . . 0.445 HD13 ' C ' ' A' ' 588' ' ' LEU . 2.2 tm? -68.68 -55.0 12.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 74.340000000000003 110.832 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 589' ' ' VAL . . . . . 1.016 HG11 HD22 ' A' ' 646' ' ' LEU . 4.2 p -62.71 -48.27 88.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 55.119999999999997 111.141 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 590' ' ' GLU . . . . . 0.495 ' N ' HG13 ' A' ' 589' ' ' VAL . 63.0 mt-10 -58.66 -30.27 67.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 45.530000000000001 110.896 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -73.87 -43.91 57.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 75.140000000000001 111.037 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 592' ' ' VAL . . . . . 0.43 HG12 ' HA ' ' A' ' 589' ' ' VAL . 7.2 p -75.94 -25.85 17.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 74.019999999999996 111.097 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.32 -41.96 65.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 75.349999999999994 110.898 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 64.4 t-80 -84.54 -46.63 11.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 75.099999999999994 110.898 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 595' ' ' LEU . . . . . 0.659 HD22 ' HB3' ' A' ' 602' ' ' ASP . 9.6 mt -79.49 -15.97 56.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 74.349999999999994 110.909 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 596' ' ' GLY . . . . . . . . . . . . . . . 79.15 165.31 29.45 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.772 -0.728 . . . . 73.430000000000007 112.452 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 16.9 p -72.94 -7.0 49.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.824 0.345 . . . . 74.349999999999994 111.086 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 598' ' ' GLY . . . . . . . . . . . . . . . -98.62 18.18 57.3 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.748 -0.739 . . . . 64.530000000000001 112.449 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 599' ' ' ARG . . . . . 0.657 ' O ' HG23 ' A' ' 603' ' ' VAL . 38.5 mtt85 -137.87 64.76 1.5 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.801 0.334 . . . . 75.400000000000006 110.873 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 600' ' ' TRP . . . . . . . . . . . . . 21.4 m0 -59.85 -50.77 72.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.163 -0.471 . . . . 65.230000000000004 110.891 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 601' ' ' ARG . . . . . . . . . . . . . 15.4 ptt180 -53.29 -46.74 69.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 64.510000000000005 110.849 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 602' ' ' ASP . . . . . 0.659 ' HB3' HD22 ' A' ' 595' ' ' LEU . 2.2 m-20 -63.25 -34.53 77.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 73.200000000000003 110.871 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 603' ' ' VAL . . . . . 0.766 HG11 HD13 ' A' ' 619' ' ' LEU . 66.9 t -65.34 -31.94 56.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 74.5 111.153 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.92 -49.33 59.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 75.510000000000005 110.865 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 605' ' ' MET . . . . . . . . . . . . . 19.0 ptp -73.32 -31.31 63.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.275 -0.421 . . . . 74.439999999999998 110.854 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 606' ' ' ARG . . . . . 0.657 ' CB ' HD11 ' A' ' 595' ' ' LEU . 18.7 tpp85 -71.82 -41.01 68.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 75.340000000000003 110.878 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -92.02 -69.91 0.72 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 54.130000000000003 111.106 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 608' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -70.78 125.33 26.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 75.420000000000002 110.869 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -71.61 -34.0 69.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 64.109999999999999 110.857 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 57.8 m-80 -105.49 76.54 1.22 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 63.130000000000003 110.833 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 611' ' ' ALA . . . . . . . . . . . . . . . -127.37 99.48 5.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.478 . . . . 73.109999999999999 111.139 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -129.11 -66.63 0.81 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 74.540000000000006 110.848 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 613' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -110.69 29.27 7.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 71.310000000000002 110.892 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 614' ' ' ARG . . . . . . . . . . . . . 2.7 tpm_? -97.42 156.27 16.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 74.329999999999998 110.885 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 615' ' ' THR . . . . . 0.53 ' OG1' HG12 ' A' ' 617' ' ' VAL . 4.6 t -74.67 158.16 34.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 65.530000000000001 111.125 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 616' ' ' TYR . . . . . . . . . . . . . 14.0 p90 -91.61 -18.72 23.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 72.349999999999994 110.926 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 617' ' ' VAL . . . . . 0.53 HG12 ' OG1' ' A' ' 615' ' ' THR . 12.7 p -51.35 -32.88 13.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 55.229999999999997 111.149 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 618' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.16 -50.93 71.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 64.120000000000005 110.842 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 619' ' ' LEU . . . . . 0.766 HD13 HG11 ' A' ' 603' ' ' VAL . 0.9 OUTLIER -75.15 -28.67 60.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.16 -0.473 . . . . 61.020000000000003 110.884 -179.91 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 620' ' ' LYS . . . . . . . . . . . . . 3.7 ttpm? -70.6 -35.39 72.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.247 -0.433 . . . . 70.400000000000006 110.865 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -71.86 -48.81 43.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 74.439999999999998 110.82 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 622' ' ' LYS . . . . . 0.628 ' HE3' HG22 ' A' ' 585' ' ' VAL . 1.0 OUTLIER -55.14 -44.03 74.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 45.130000000000003 110.865 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 623' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -67.88 -47.59 68.45 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.275 -0.42 . . . . 74.430000000000007 110.905 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 6.6 tttp -56.34 -55.28 35.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 73.340000000000003 110.889 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 12.8 t -60.73 -30.9 70.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 71.409999999999997 111.168 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 626' ' ' LEU . . . . . 0.523 HD11 HG13 ' A' ' 585' ' ' VAL . 3.4 mt -65.0 -47.28 78.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 74.200000000000003 110.952 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 627' ' ' VAL . . . . . 0.69 ' O ' HD13 ' A' ' 632' ' ' ILE . 87.7 t -58.63 -55.06 25.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.244 -0.434 . . . . 55.130000000000003 111.15 179.803 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 628' ' ' HIS . . . . . 0.423 ' HA ' ' HB ' ' A' ' 632' ' ' ILE . 23.4 m80 -52.81 -33.91 51.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 70.129999999999995 110.844 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 629' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -79.31 -28.81 42.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 71.340000000000003 111.225 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 630' ' ' ALA . . . . . 0.645 ' HA ' HD13 ' A' ' 647' ' ' LEU . . . -51.81 -49.66 62.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 73.409999999999997 111.052 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 631' ' ' SER . . . . . 0.732 ' C ' HD12 ' A' ' 632' ' ' ILE . 13.1 t 173.66 67.12 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 32.43 110.881 -179.816 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 632' ' ' ILE . . . . . 0.732 HD12 ' C ' ' A' ' 631' ' ' SER . 2.7 mp -135.35 -74.39 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.063 -0.517 . . . . 70.109999999999999 111.127 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 633' ' ' ALA . . . . . 0.605 ' HB3' ' HB2' ' A' ' 636' ' ' GLN . . . -103.06 143.89 27.53 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.558 0.694 . . . . 41.530000000000001 111.126 179.788 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 634' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -47.88 0.85 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.766 2.311 . . . . 74.430000000000007 112.363 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 635' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -72.43 -13.67 61.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.213 -0.448 . . . . 73.099999999999994 110.897 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 636' ' ' GLN . . . . . 0.605 ' HB2' ' HB3' ' A' ' 633' ' ' ALA . 51.8 mm-40 -81.05 0.33 36.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 75.540000000000006 110.884 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 637' ' ' ARG . . . . . . . . . . . . . 48.8 ttp180 -76.1 113.82 14.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.273 -0.422 . . . . 74.209999999999994 110.846 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 638' ' ' ARG . . . . . . . . . . . . . 1.5 mmt-85 -52.67 132.32 35.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.231 -0.44 . . . . 72.150000000000006 110.881 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 639' ' ' GLY . . . . . . . . . . . . . . . -59.37 -19.88 48.75 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.786 -0.721 . . . . 45.039999999999999 112.458 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 640' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -93.27 160.08 34.03 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-O 121.608 0.718 . . . . 73.400000000000006 110.882 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 123.25 9.91 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.627 2.218 . . . . 71.439999999999998 112.419 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 642' ' ' VAL . . . . . 0.81 HG21 HD11 ' A' ' 647' ' ' LEU . 4.5 m -114.45 139.66 24.19 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.508 0.67 . . . . 73.129999999999995 111.191 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 128.5 16.11 Favored 'Trans proline' 0 C--N 1.34 0.131 0 C-N-CA 122.694 2.263 . . . . 75.109999999999999 112.31 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -66.4 -17.93 65.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.443 . . . . 74.200000000000003 110.863 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -69.02 -40.18 78.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 72.420000000000002 110.857 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 646' ' ' LEU . . . . . 1.016 HD22 HG11 ' A' ' 589' ' ' VAL . 44.0 mt -73.44 -53.84 9.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 75.120000000000005 110.923 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 647' ' ' LEU . . . . . 0.81 HD11 HG21 ' A' ' 642' ' ' VAL . 40.9 mt -53.2 -32.59 48.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.249 -0.432 . . . . 73.310000000000002 110.865 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -69.95 -46.75 64.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 63.310000000000002 110.894 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 20.2 mmt180 -65.82 -40.67 92.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 63.5 110.839 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 650' ' ' VAL . . . . . 0.652 ' CG1' HG22 ' A' ' 627' ' ' VAL . 70.0 t -57.56 -48.24 83.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 71.299999999999997 111.126 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 651' ' ' LEU . . . . . 0.439 HD11 ' HB3' ' A' ' 631' ' ' SER . 22.0 mt -65.74 -28.75 69.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 72.129999999999995 110.93 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -67.59 -48.8 65.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 40.409999999999997 111.106 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -73.25 -44.83 58.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.261 -0.427 . . . . 60.43 111.068 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 654' ' ' HIS . . . . . . . . . . . . . 62.6 t60 -53.08 -47.6 68.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.258 -0.428 . . . . 73.420000000000002 110.856 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -70.17 -45.24 67.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 53.229999999999997 111.125 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 72.5 t80 -55.7 -50.07 71.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 65.319999999999993 110.878 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 657' ' ' TRP . . . . . . . . . . . . . 58.5 m95 -70.24 -37.19 74.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.071 -0.513 . . . . 75.049999999999997 110.924 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 2.8 t -56.05 -32.46 64.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 71.450000000000003 110.843 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 659' ' ' GLN . . . . . . . . . . . . . 40.7 tt0 -58.95 -23.21 61.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 72.329999999999998 110.973 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 59.26 57.68 3.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 61.009999999999998 110.935 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -61.54 -172.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.426 . . . . 65.219999999999999 110.887 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 662' ' ' GLY . . . . . . . . . . . . . . . -56.39 100.28 0.1 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.699 -0.762 . . . . 44.119999999999997 112.532 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 28.3 pttt -173.99 -171.58 0.65 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.751 0.31 . . . . 72.129999999999995 110.884 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -98.07 -176.44 3.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 73.310000000000002 110.93 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 665' ' ' HIS . . . . . . . . . . . . . 8.0 p-80 -144.5 -176.93 5.24 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.168 -0.469 . . . . 71.209999999999994 110.828 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 666' ' ' VAL . . . . . . . . . . . . . 10.1 p -147.71 152.27 12.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 72.530000000000001 111.129 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -111.9 157.21 40.26 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.642 0.734 . . . . 65.409999999999997 110.924 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 668' ' ' PRO . . . . . 0.611 ' C ' HD13 ' A' ' 669' ' ' LEU . 54.2 Cg_endo -69.75 -171.01 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.69 2.26 . . . . 73.530000000000001 112.329 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 669' ' ' LEU . . . . . 0.611 HD13 ' C ' ' A' ' 668' ' ' PRO . 0.0 OUTLIER -156.32 169.61 24.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 72.409999999999997 110.929 179.94 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 670' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -126.9 155.19 43.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 75.329999999999998 110.85 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 671' ' ' ILE . . . . . . . . . . . . . 13.7 tt -126.37 150.89 32.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 71.439999999999998 111.123 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 9.1 tp -96.14 161.33 14.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 64.450000000000003 110.883 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 673' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -141.19 -179.59 6.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 63.439999999999998 110.842 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -143.68 179.14 7.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 74.409999999999997 111.136 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 22.2 tptm -168.27 151.38 5.61 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.262 -0.426 . . . . 75.200000000000003 110.943 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . -139.81 178.3 7.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 70.430000000000007 111.134 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 677' ' ' GLN . . . . . 0.434 ' NE2' ' H ' ' A' ' 679' ' ' VAL . 0.1 OUTLIER -122.72 162.85 21.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 74.409999999999997 110.887 -179.91 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 678' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 679' ' ' VAL . 34.6 ttpt -58.99 -31.16 68.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 75.239999999999995 110.884 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 679' ' ' VAL . . . . . 0.434 ' H ' ' NE2' ' A' ' 677' ' ' GLN . 27.0 m 36.95 44.16 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.241 -0.436 . . . . 70.329999999999998 111.135 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 680' ' ' GLY . . . . . . . . . . . . . . . -102.19 -159.78 26.27 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.748 -0.739 . . . . 62.420000000000002 112.471 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 681' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.323 0 CA-C-O 120.789 0.328 . . . . 62.119999999999997 111.093 179.976 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 561' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.161 0 CA-C-O 120.851 0.271 . . . . 72.129999999999995 112.376 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 562' ' ' VAL . . . . . . . . . . . . . 60.1 t -145.54 110.53 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 64.329999999999998 111.205 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 563' ' ' ASN . . . . . . . . . . . . . 7.9 p-10 -140.42 134.67 31.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 74.230000000000004 110.859 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -143.9 154.32 43.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.495 . . . . 71.049999999999997 110.89 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 565' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.42 127.08 2.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.267 -0.424 . . . . 64.299999999999997 110.924 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 20.3 p -126.91 113.56 16.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 74.010000000000005 110.9 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 567' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.6 -173.71 2.27 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.088 -0.505 . . . . 71.120000000000005 110.906 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 2.5 mpp_? -136.36 93.42 2.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 63.140000000000001 110.896 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 14.0 m -98.13 113.58 25.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 75.030000000000001 110.799 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -173.67 113.58 0.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 70.510000000000005 110.884 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 571' ' ' LEU . . . . . 0.608 ' O ' HD12 ' A' ' 571' ' ' LEU . 0.9 OUTLIER -163.15 150.42 12.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.104 -0.498 . . . . 63.210000000000001 110.862 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 2.2 m -156.16 132.35 9.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.482 . . . . 62.43 110.858 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 573' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -154.21 134.41 13.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 73.450000000000003 110.93 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 574' ' ' ARG . . . . . . . . . . . . . 67.1 mtt-85 -60.35 158.08 12.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.205 -0.452 . . . . 70.420000000000002 110.939 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 5.6 ptp85 -55.31 130.62 43.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 53.399999999999999 110.904 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 576' ' ' ILE . . . . . . . . . . . . . 39.2 mm -104.52 127.04 59.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 71.319999999999993 111.104 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 51.3 mmm-85 -90.62 -59.25 2.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.164 -0.471 . . . . 72.030000000000001 110.861 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 578' ' ' ARG . . . . . . . . . . . . . 10.7 mpt_? -118.03 160.15 40.12 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.626 0.727 . . . . 71.150000000000006 110.863 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -30.94 21.64 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.693 2.262 . . . . 75.109999999999999 112.422 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 580' ' ' PHE . . . . . . . . . . . . . 36.4 p90 -92.64 131.54 37.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 74.019999999999996 110.868 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 581' ' ' SER . . . . . 0.752 ' O ' HG12 ' A' ' 585' ' ' VAL . 14.8 m -87.35 158.06 19.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.08 -0.509 . . . . 73.219999999999999 110.878 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 582' ' ' VAL . . . . . 0.617 HG13 ' HG3' ' A' ' 643' ' ' PRO . 87.9 t -51.5 -38.92 21.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.12 -0.491 . . . . 73.540000000000006 111.065 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -72.06 -32.6 67.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 74.519999999999996 111.108 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 584' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -75.28 -56.39 4.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 72.519999999999996 110.922 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 585' ' ' VAL . . . . . 0.752 HG12 ' O ' ' A' ' 581' ' ' SER . 2.3 p -54.16 -32.85 23.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 71.430000000000007 111.138 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -50.08 -30.45 10.97 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.189 -0.46 . . . . 64.420000000000002 110.848 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 587' ' ' ALA . . . . . 0.47 ' HB1' ' HA ' ' A' ' 607' ' ' ALA . . . -75.54 -40.52 56.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 64.510000000000005 111.099 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 588' ' ' LEU . . . . . 0.488 ' O ' HG23 ' A' ' 592' ' ' VAL . 2.3 tm? -53.3 -54.78 31.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.278 -0.419 . . . . 72.230000000000004 110.959 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 589' ' ' VAL . . . . . 0.491 HG23 ' CZ3' ' A' ' 623' ' ' TRP . 7.6 p -67.48 -44.11 86.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.172 -0.467 . . . . 62.329999999999998 111.119 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 590' ' ' GLU . . . . . 0.451 ' N ' HG13 ' A' ' 589' ' ' VAL . 6.2 mm-40 -53.77 -47.2 70.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 62.530000000000001 110.881 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 591' ' ' ALA . . . . . 0.623 ' HB3' HG13 ' A' ' 603' ' ' VAL . . . -66.24 -35.87 81.55 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.183 -0.462 . . . . 60.130000000000003 111.126 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 592' ' ' VAL . . . . . 0.492 HG11 ' CE3' ' A' ' 623' ' ' TRP . 65.1 t -74.32 -24.84 19.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 74.209999999999994 111.092 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -72.6 -41.28 65.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 71.209999999999994 110.954 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 14.7 t-160 -86.79 -46.16 10.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 64.340000000000003 110.896 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 595' ' ' LEU . . . . . 0.535 HD13 ' HB2' ' A' ' 602' ' ' ASP . 23.7 mt -78.67 -23.8 45.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.433 . . . . 64.430000000000007 110.976 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 596' ' ' GLY . . . . . . . . . . . . . . . 83.38 -174.67 52.25 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.782 -0.723 . . . . 61.140000000000001 112.468 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 71.5 p -93.7 28.77 2.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.852 0.358 . . . . 70.219999999999999 111.167 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 598' ' ' GLY . . . . . . . . . . . . . . . -123.94 -9.77 5.56 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.663 -0.779 . . . . 73.120000000000005 112.467 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 599' ' ' ARG . . . . . 0.724 ' O ' HG23 ' A' ' 603' ' ' VAL . 30.6 mtp180 -121.4 78.57 1.44 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.791 0.329 . . . . 73.140000000000001 110.867 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 600' ' ' TRP . . . . . 0.487 ' HB3' HD11 ' A' ' 619' ' ' LEU . 2.8 m0 -67.75 -50.16 58.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.196 -0.456 . . . . 52.149999999999999 110.898 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 601' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -53.41 -44.95 69.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.426 . . . . 63.140000000000001 110.835 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 602' ' ' ASP . . . . . 0.535 ' HB2' HD13 ' A' ' 595' ' ' LEU . 1.8 m-20 -64.47 -34.55 78.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 61.210000000000001 110.919 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 603' ' ' VAL . . . . . 0.724 HG23 ' O ' ' A' ' 599' ' ' ARG . 51.9 t -64.19 -33.74 64.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 74.129999999999995 111.128 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.45 -49.35 55.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.198 -0.456 . . . . 72.129999999999995 110.921 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 605' ' ' MET . . . . . . . . . . . . . 5.1 ptm -70.87 -31.44 68.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 73.510000000000005 110.816 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 606' ' ' ARG . . . . . . . . . . . . . 5.2 ttt-85 -76.58 -40.61 49.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 72.340000000000003 110.838 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 607' ' ' ALA . . . . . 0.47 ' HA ' ' HB1' ' A' ' 587' ' ' ALA . . . -82.37 -66.91 0.83 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.276 -0.42 . . . . 71.340000000000003 111.113 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 608' ' ' PHE . . . . . 0.428 ' HB2' ' HB2' ' A' ' 611' ' ' ALA . 69.0 m-85 -70.98 124.79 25.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 74.420000000000002 110.815 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -71.93 -34.21 68.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 74.140000000000001 110.948 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -126.63 73.94 1.43 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.158 -0.474 . . . . 75.420000000000002 110.861 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 611' ' ' ALA . . . . . 0.428 ' HB2' ' HB2' ' A' ' 608' ' ' PHE . . . -94.9 83.28 3.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 64.219999999999999 111.03 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.63 -74.58 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.203 -0.453 . . . . 71.239999999999995 110.904 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 613' ' ' HIS . . . . . . . . . . . . . 8.0 m80 -78.88 127.27 31.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 75.239999999999995 110.865 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 614' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -71.93 103.04 3.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 71.400000000000006 110.811 -179.834 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 615' ' ' THR . . . . . 0.443 HG22 ' H ' ' A' ' 616' ' ' TYR . 0.2 OUTLIER -101.34 176.29 5.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.256 -0.429 . . . . 53.130000000000003 111.156 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 616' ' ' TYR . . . . . 0.443 ' H ' HG22 ' A' ' 615' ' ' THR . 24.5 p90 -152.58 -41.77 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 75.209999999999994 110.905 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 617' ' ' VAL . . . . . . . . . . . . . 8.5 p -72.02 -33.36 47.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.092 -0.504 . . . . 72.420000000000002 111.104 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 618' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.3 -51.5 63.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 73.099999999999994 110.854 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 619' ' ' LEU . . . . . 0.487 HD11 ' HB3' ' A' ' 600' ' ' TRP . 3.9 pp -70.96 -40.98 71.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 72.319999999999993 110.886 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 620' ' ' LYS . . . . . 0.435 ' N ' HD12 ' A' ' 619' ' ' LEU . 16.2 ttmm -59.86 -54.25 48.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 72.239999999999995 110.894 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -54.76 -41.89 71.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 53.450000000000003 110.907 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.98 -40.67 70.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 72.409999999999997 110.905 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 623' ' ' TRP . . . . . 0.693 ' CZ3' HG23 ' A' ' 650' ' ' VAL . 15.5 t-105 -67.65 -46.48 72.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 74.109999999999999 110.931 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -51.89 -55.1 22.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 70.219999999999999 110.887 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 10.6 t -62.29 -29.04 70.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 72.430000000000007 111.179 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 626' ' ' LEU . . . . . 0.595 ' HB3' HG21 ' A' ' 650' ' ' VAL . 0.4 OUTLIER -64.84 -52.23 57.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.21 -0.45 . . . . 64.200000000000003 110.878 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 627' ' ' VAL . . . . . 0.63 HG22 HG22 ' A' ' 650' ' ' VAL . 91.5 t -60.16 -54.28 37.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 33.009999999999998 111.11 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 628' ' ' HIS . . . . . 0.42 ' HA ' HD13 ' A' ' 632' ' ' ILE . 46.3 m80 -53.39 -27.75 25.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 75.239999999999995 110.9 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 629' ' ' THR . . . . . . . . . . . . . 4.1 m -75.94 -30.8 58.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 53.43 111.1 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 630' ' ' ALA . . . . . 0.657 ' HA ' HD13 ' A' ' 647' ' ' LEU . . . -53.52 -49.07 68.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 63.009999999999998 111.111 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 631' ' ' SER . . . . . 0.593 ' C ' HD12 ' A' ' 632' ' ' ILE . 0.4 OUTLIER 167.79 68.54 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 51.350000000000001 110.862 -179.833 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 632' ' ' ILE . . . . . 0.6 HD13 ' O ' ' A' ' 627' ' ' VAL . 1.8 mp -118.56 -74.03 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.486 . . . . 74.019999999999996 111.106 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 633' ' ' ALA . . . . . 0.724 ' HB3' ' NE2' ' A' ' 636' ' ' GLN . . . -103.96 155.55 36.91 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.622 0.725 . . . . 45.130000000000003 111.074 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 634' ' ' PRO . . . . . 0.411 ' HD2' ' HB1' ' A' ' 633' ' ' ALA . 53.4 Cg_endo -69.73 -30.63 22.09 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.695 2.263 . . . . 62.149999999999999 112.358 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 635' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -68.37 -14.06 62.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 72.329999999999998 110.94 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 636' ' ' GLN . . . . . 0.724 ' NE2' ' HB3' ' A' ' 633' ' ' ALA . 2.0 mp0 -80.51 -35.78 34.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 64.200000000000003 110.909 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 637' ' ' ARG . . . . . . . . . . . . . 11.1 ptp180 -84.82 114.06 21.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 75.430000000000007 110.853 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 638' ' ' ARG . . . . . . . . . . . . . 16.5 tpt180 -118.04 -43.12 2.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 62.340000000000003 110.965 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 639' ' ' GLY . . . . . . . . . . . . . . . 141.49 -19.87 2.6 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.683 -0.77 . . . . 71.510000000000005 112.489 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 640' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -52.74 152.25 7.12 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.64 0.733 . . . . 54.240000000000002 110.864 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.75 121.18 7.88 Favored 'Trans proline' 0 N--CA 1.465 -0.194 0 C-N-CA 122.725 2.283 . . . . 70.409999999999997 112.327 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 642' ' ' VAL . . . . . 0.688 HG21 HD11 ' A' ' 647' ' ' LEU . 1.6 m -133.92 140.93 37.91 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.666 0.746 . . . . 71.340000000000003 111.108 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 643' ' ' PRO . . . . . 0.617 ' HG3' HG13 ' A' ' 582' ' ' VAL . 53.9 Cg_endo -69.77 127.27 14.34 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.686 2.257 . . . . 73.120000000000005 112.312 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 28.4 tp60 -73.27 -23.06 60.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 74.219999999999999 110.923 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -71.03 -35.48 72.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 64.319999999999993 110.835 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 646' ' ' LEU . . . . . 0.42 HD12 ' CG ' ' A' ' 643' ' ' PRO . 17.9 mt -75.48 -47.21 28.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 71.299999999999997 110.886 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 647' ' ' LEU . . . . . 0.688 HD11 HG21 ' A' ' 642' ' ' VAL . 39.1 mt -61.35 -35.14 76.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 73.400000000000006 110.864 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.36 -43.79 55.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 74.340000000000003 110.88 179.774 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 6.2 mmm180 -66.96 -49.46 65.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.167 -0.469 . . . . 71.450000000000003 110.854 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 650' ' ' VAL . . . . . 0.693 HG23 ' CZ3' ' A' ' 623' ' ' TRP . 2.6 p -56.48 -34.51 41.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 63.229999999999997 111.092 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 651' ' ' LEU . . . . . 0.476 HD23 HG13 ' A' ' 627' ' ' VAL . 15.8 mt -72.27 -32.42 66.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.151 -0.477 . . . . 43.340000000000003 110.85 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -63.08 -51.85 64.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 63.210000000000001 111.071 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 653' ' ' ALA . . . . . 0.624 ' HB3' ' HH2' ' A' ' 623' ' ' TRP . . . -68.18 -50.9 51.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 72.140000000000001 111.001 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 654' ' ' HIS . . . . . 0.403 ' CG ' HG11 ' A' ' 627' ' ' VAL . 29.0 t60 -54.68 -34.44 62.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.294 -0.412 . . . . 73.430000000000007 110.811 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -77.81 -46.95 20.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 64.439999999999998 111.128 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 75.0 t80 -60.48 -48.22 82.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 64.25 110.951 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 657' ' ' TRP . . . . . . . . . . . . . 41.0 m95 -67.72 -34.23 76.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.092 -0.504 . . . . 60.130000000000003 110.944 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 3.3 t -60.89 -35.78 77.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 72.299999999999997 110.92 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 659' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -57.03 -24.23 52.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 61.340000000000003 110.918 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -59.62 -30.78 68.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 63.409999999999997 110.931 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 61.11 60.71 1.73 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.142 -0.481 . . . . 74.129999999999995 110.899 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 662' ' ' GLY . . . . . . . . . . . . . . . -136.24 77.52 0.35 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.738 -0.744 . . . . 75.340000000000003 112.456 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 9.4 ptmt -118.88 -47.08 2.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.728 0.299 . . . . 63.030000000000001 110.933 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 59.38 56.52 3.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 74.319999999999993 110.937 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 665' ' ' HIS . . . . . . . . . . . . . 27.6 m170 -128.89 89.98 2.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 72.340000000000003 110.836 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 666' ' ' VAL . . . . . . . . . . . . . 45.7 t -140.1 147.03 23.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 41.329999999999998 111.182 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -135.79 160.5 67.28 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.564 0.697 . . . . 64.510000000000005 110.875 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 668' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -177.14 1.74 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.707 2.271 . . . . 74.230000000000004 112.351 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 669' ' ' LEU . . . . . 0.521 HD13 ' N ' ' A' ' 670' ' ' LYS . 0.3 OUTLIER -172.02 127.63 0.59 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 73.209999999999994 110.915 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 670' ' ' LYS . . . . . 0.521 ' N ' HD13 ' A' ' 669' ' ' LEU . 2.7 ptmm? -164.28 179.56 6.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 75.310000000000002 110.856 179.776 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 671' ' ' ILE . . . . . . . . . . . . . 9.1 tt -143.55 150.77 17.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.483 . . . . 73.430000000000007 111.167 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -113.68 170.75 8.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 75.340000000000003 110.84 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 673' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -172.29 133.33 0.66 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 70.049999999999997 110.87 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -125.24 158.51 33.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 74.439999999999998 111.119 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -175.24 133.98 0.32 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 75.409999999999997 110.884 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . -162.74 166.55 24.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 73.219999999999999 111.082 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -143.41 179.59 7.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 62.100000000000001 110.928 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 678' ' ' LYS . . . . . . . . . . . . . 27.6 ttpt -124.99 -55.65 1.58 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 75.030000000000001 110.866 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 679' ' ' VAL . . . . . . . . . . . . . 33.4 m -51.69 165.58 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 71.140000000000001 111.11 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 680' ' ' GLY . . . . . . . . . . . . . . . 151.37 42.08 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.693 -0.765 . . . . 33.119999999999997 112.478 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 681' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-O 120.81 0.338 . . . . 72.299999999999997 111.091 179.959 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 561' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--O 1.231 0.159 0 CA-C-O 120.812 0.255 . . . . 65.030000000000001 112.365 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 562' ' ' VAL . . . . . . . . . . . . . 13.6 p -57.95 -25.34 25.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.275 -0.42 . . . . 75.430000000000007 111.086 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 563' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -85.62 -175.39 5.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 53.140000000000001 110.934 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -123.57 -74.43 0.62 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.473 . . . . 75.239999999999995 110.941 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 565' ' ' LYS . . . . . . . . . . . . . 12.0 mmmm 56.17 52.85 9.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 73.140000000000001 110.948 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 8.2 t -82.78 133.5 35.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.191 -0.459 . . . . 74.420000000000002 110.83 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 567' ' ' LYS . . . . . . . . . . . . . 28.8 mtpt -146.14 -178.87 6.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.475 . . . . 75.140000000000001 110.94 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.93 90.33 2.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 52.420000000000002 110.853 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 95.9 p -117.16 144.25 44.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 74.439999999999998 110.84 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 570' ' ' GLU . . . . . 0.611 ' C ' HD13 ' A' ' 571' ' ' LEU . 15.3 tp10 -175.19 160.17 2.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 74.209999999999994 110.872 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 571' ' ' LEU . . . . . 0.611 HD13 ' C ' ' A' ' 570' ' ' GLU . 0.0 OUTLIER -156.5 167.02 31.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 63.229999999999997 110.85 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 4.9 p -174.47 -173.77 0.79 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 55.329999999999998 110.83 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 573' ' ' GLN . . . . . . . . . . . . . 21.6 mm-40 -96.53 -175.34 3.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 75.329999999999998 110.867 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 574' ' ' ARG . . . . . . . . . . . . . 34.6 ttp85 -136.37 119.72 16.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.172 -0.467 . . . . 73.540000000000006 110.788 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 14.9 ptp180 -177.08 122.42 0.13 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 73.200000000000003 110.922 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 576' ' ' ILE . . . . . 0.478 HG21 ' HA ' ' A' ' 638' ' ' ARG . 10.2 tp -175.15 144.47 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 62.009999999999998 111.137 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.53 158.9 28.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 74.129999999999995 110.906 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 578' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.09 108.53 38.32 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.622 0.725 . . . . 75.209999999999994 110.839 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -48.62 0.69 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.662 2.241 . . . . 53.329999999999998 112.389 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 580' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -92.32 145.19 24.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 75.409999999999997 110.908 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 581' ' ' SER . . . . . 0.617 ' O ' HG23 ' A' ' 585' ' ' VAL . 30.0 m -87.21 170.56 11.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 64.420000000000002 110.887 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 582' ' ' VAL . . . . . . . . . . . . . 27.1 m -56.66 -33.81 41.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.137 -0.483 . . . . 65.230000000000004 111.13 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -69.16 -43.45 74.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.463 . . . . 70.109999999999999 111.134 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 584' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -71.14 -46.82 60.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 73.120000000000005 110.824 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 585' ' ' VAL . . . . . 0.617 HG23 ' O ' ' A' ' 581' ' ' SER . 95.5 t -54.29 -34.99 28.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 62.119999999999997 111.148 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -52.38 -50.91 61.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 60.020000000000003 110.876 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 587' ' ' ALA . . . . . 0.711 ' HB1' ' HA ' ' A' ' 607' ' ' ALA . . . -58.85 -40.36 84.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.117 -0.492 . . . . 74.230000000000004 111.123 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 588' ' ' LEU . . . . . 0.476 ' O ' HD13 ' A' ' 588' ' ' LEU . 0.2 OUTLIER -55.91 -47.44 77.46 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.197 -0.456 . . . . 54.509999999999998 110.925 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 589' ' ' VAL . . . . . 0.506 HG22 HD13 ' A' ' 626' ' ' LEU . 41.1 t -70.78 -54.08 19.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 75.129999999999995 111.094 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 73.3 mt-10 -51.18 -47.65 62.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.468 . . . . 72.0 110.912 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -61.22 -39.68 91.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 75.340000000000003 111.154 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 592' ' ' VAL . . . . . 0.409 HG23 ' O ' ' A' ' 588' ' ' LEU . 41.5 t -74.02 -25.97 20.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 72.530000000000001 111.096 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -73.85 -39.05 64.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 61.009999999999998 110.895 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -86.33 -47.46 9.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 71.519999999999996 110.813 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 595' ' ' LEU . . . . . 0.527 HD22 ' HB3' ' A' ' 602' ' ' ASP . 17.3 mt -79.45 -23.58 43.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 72.439999999999998 110.855 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 596' ' ' GLY . . . . . . . . . . . . . . . 85.95 -176.1 48.85 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.702 -0.761 . . . . 65.340000000000003 112.476 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 5.9 p -94.83 26.21 3.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.846 0.355 . . . . 73.230000000000004 111.096 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 598' ' ' GLY . . . . . . . . . . . . . . . -125.9 6.06 7.85 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.729 -0.748 . . . . 54.350000000000001 112.502 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 599' ' ' ARG . . . . . 0.629 ' O ' HG23 ' A' ' 603' ' ' VAL . 42.6 mtt180 -133.06 83.71 2.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.826 0.346 . . . . 75.239999999999995 110.875 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 600' ' ' TRP . . . . . . . . . . . . . 10.1 m0 -69.56 -50.51 44.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 73.120000000000005 110.909 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 601' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.49 -47.68 69.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.296 -0.411 . . . . 74.099999999999994 110.843 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 602' ' ' ASP . . . . . 0.527 ' HB3' HD22 ' A' ' 595' ' ' LEU . 1.8 m-20 -60.5 -39.39 87.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 62.420000000000002 110.885 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 603' ' ' VAL . . . . . 0.897 HG11 HD13 ' A' ' 619' ' ' LEU . 40.3 t -61.61 -31.49 50.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 74.319999999999993 111.154 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 13.7 tttp -68.45 -49.65 58.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 75.239999999999995 110.876 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 605' ' ' MET . . . . . . . . . . . . . 17.9 ptm -72.91 -31.31 64.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 51.530000000000001 110.891 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 606' ' ' ARG . . . . . 0.461 ' CB ' HD11 ' A' ' 595' ' ' LEU . 7.3 tpm_? -75.08 -41.1 59.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 64.0 110.902 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 607' ' ' ALA . . . . . 0.711 ' HA ' ' HB1' ' A' ' 587' ' ' ALA . . . -82.27 -60.39 2.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 73.439999999999998 111.115 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 608' ' ' PHE . . . . . . . . . . . . . 49.6 m-85 -80.08 125.37 29.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.274 -0.421 . . . . 63.100000000000001 110.849 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -71.28 -34.33 70.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.139 -0.482 . . . . 71.340000000000003 110.841 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -99.77 -36.67 9.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 72.409999999999997 110.862 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 611' ' ' ALA . . . . . . . . . . . . . . . 50.23 44.92 26.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 60.409999999999997 111.079 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -137.94 42.55 2.27 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.24 -0.436 . . . . 74.019999999999996 110.832 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 613' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -143.07 -42.3 0.3 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 75.400000000000006 110.86 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 614' ' ' ARG . . . . . . . . . . . . . 7.9 mpt_? -116.04 156.13 26.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 63.140000000000001 110.882 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 615' ' ' THR . . . . . 0.429 HG22 ' H ' ' A' ' 616' ' ' TYR . 0.7 OUTLIER -80.57 166.23 21.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 44.240000000000002 111.106 -179.937 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 616' ' ' TYR . . . . . 0.429 ' H ' HG22 ' A' ' 615' ' ' THR . 53.4 p90 -63.69 -32.8 74.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 74.409999999999997 110.891 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 617' ' ' VAL . . . . . . . . . . . . . 14.8 p -71.76 -33.04 47.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 70.109999999999999 111.138 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 618' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.04 -50.7 60.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 71.409999999999997 110.875 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 619' ' ' LEU . . . . . 0.897 HD13 HG11 ' A' ' 603' ' ' VAL . 1.3 pp -54.19 -32.9 56.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.191 -0.458 . . . . 72.510000000000005 110.899 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 620' ' ' LYS . . . . . . . . . . . . . 1.5 ttpp -63.01 -54.79 32.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 72.549999999999997 110.862 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -54.76 -30.83 57.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.282 -0.417 . . . . 64.129999999999995 110.916 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 622' ' ' LYS . . . . . 0.484 ' HZ1' HG22 ' A' ' 585' ' ' VAL . 0.1 OUTLIER -67.05 -41.3 86.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 65.140000000000001 110.924 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 623' ' ' TRP . . . . . 0.419 ' CZ2' HG13 ' A' ' 650' ' ' VAL . 35.2 t-105 -67.2 -49.92 62.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.468 . . . . 74.239999999999995 110.936 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -48.3 -55.92 9.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 34.32 110.879 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 10.2 t -62.07 -28.74 69.82 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.22 -0.445 . . . . 74.409999999999997 111.188 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 626' ' ' LEU . . . . . 0.58 HD11 ' CG1' ' A' ' 585' ' ' VAL . 0.5 OUTLIER -65.08 -47.66 76.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 53.020000000000003 110.909 179.952 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 627' ' ' VAL . . . . . 0.582 ' O ' HD13 ' A' ' 632' ' ' ILE . 74.8 t -58.14 -54.95 25.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 64.409999999999997 111.123 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 628' ' ' HIS . . . . . 0.528 ' HA ' HD13 ' A' ' 632' ' ' ILE . 3.6 m80 -53.04 -31.3 40.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 62.450000000000003 110.859 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 629' ' ' THR . . . . . 0.409 ' CG2' HG21 ' A' ' 642' ' ' VAL . 51.7 m -72.42 -29.93 64.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 53.100000000000001 111.123 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 630' ' ' ALA . . . . . 0.612 ' CA ' HD22 ' A' ' 647' ' ' LEU . . . -53.92 -50.19 66.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.424 . . . . 73.439999999999998 111.032 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 631' ' ' SER . . . . . 0.709 ' C ' HD12 ' A' ' 632' ' ' ILE . 11.5 t 172.41 68.09 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.266 -0.425 . . . . 65.129999999999995 110.842 -179.786 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 632' ' ' ILE . . . . . 0.709 HD12 ' C ' ' A' ' 631' ' ' SER . 2.3 mp -127.02 -75.85 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.101 -0.499 . . . . 54.140000000000001 111.059 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 633' ' ' ALA . . . . . 0.673 ' HB3' ' HB2' ' A' ' 636' ' ' GLN . . . -103.49 144.32 28.41 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.604 0.716 . . . . 51.140000000000001 111.116 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 634' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -48.15 0.78 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.692 2.261 . . . . 64.329999999999998 112.365 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 635' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -73.71 -13.73 61.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 71.120000000000005 110.932 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 636' ' ' GLN . . . . . 0.673 ' HB2' ' HB3' ' A' ' 633' ' ' ALA . 19.7 mm100 -80.79 -0.71 39.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 74.409999999999997 110.953 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 637' ' ' ARG . . . . . . . . . . . . . 38.0 ttp180 -81.09 114.28 19.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 71.200000000000003 110.882 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 638' ' ' ARG . . . . . 0.478 ' HA ' HG21 ' A' ' 576' ' ' ILE . 8.0 mtm-85 -57.63 146.16 31.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 65.140000000000001 110.876 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 639' ' ' GLY . . . . . . . . . . . . . . . -51.5 -63.02 5.01 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.767 -0.73 . . . . 44.020000000000003 112.475 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 640' ' ' GLU . . . . . 0.401 ' HB2' ' HD2' ' A' ' 641' ' ' PRO . 23.2 pt-20 -55.49 154.33 12.47 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.556 0.693 . . . . 74.420000000000002 110.944 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 641' ' ' PRO . . . . . 0.401 ' HD2' ' HB2' ' A' ' 640' ' ' GLU . 53.8 Cg_endo -69.82 121.64 8.31 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.674 2.249 . . . . 74.319999999999993 112.307 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 642' ' ' VAL . . . . . 0.409 HG21 ' CG2' ' A' ' 629' ' ' THR . 3.5 t -92.38 132.42 32.02 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.649 0.738 . . . . 74.319999999999993 111.13 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 128.6 16.29 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.62 2.213 . . . . 72.109999999999999 112.376 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -64.79 -20.24 66.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 74.040000000000006 110.919 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -60.45 -45.44 93.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.136 -0.484 . . . . 60.420000000000002 110.915 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 646' ' ' LEU . . . . . . . . . . . . . 25.6 mt -75.49 -53.28 8.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 72.219999999999999 110.871 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 647' ' ' LEU . . . . . 0.612 HD22 ' CA ' ' A' ' 630' ' ' ALA . 91.9 mt -52.25 -34.7 47.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 71.239999999999995 110.907 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -71.12 -45.94 62.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 74.239999999999995 110.913 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 83.5 mtt180 -65.57 -36.6 84.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.106 -0.497 . . . . 72.420000000000002 110.859 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 650' ' ' VAL . . . . . 0.549 ' CG1' HG22 ' A' ' 627' ' ' VAL . 43.0 t -64.09 -49.85 79.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.491 . . . . 71.0 111.167 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 651' ' ' LEU . . . . . 0.477 HD13 ' CB ' ' A' ' 630' ' ' ALA . 1.0 OUTLIER -62.66 -29.53 70.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.11 -0.495 . . . . 52.329999999999998 110.823 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -64.48 -50.46 67.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.267 -0.424 . . . . 62.409999999999997 111.121 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -75.68 -42.17 51.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 53.219999999999999 111.073 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 654' ' ' HIS . . . . . . . . . . . . . 62.9 t60 -54.54 -46.98 73.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 73.200000000000003 110.873 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -73.11 -46.9 48.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 75.030000000000001 111.112 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -54.25 -50.08 68.03 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.203 -0.453 . . . . 74.019999999999996 110.919 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 657' ' ' TRP . . . . . . . . . . . . . 71.0 m95 -71.05 -36.77 72.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.112 -0.495 . . . . 74.420000000000002 110.942 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 9.5 t -54.11 -31.82 53.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 62.350000000000001 110.855 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 659' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -57.0 -23.57 47.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.079 -0.51 . . . . 63.130000000000003 110.958 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -101.59 -40.47 7.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 71.329999999999998 110.885 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 21.4 tp60 -173.98 155.43 2.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.448 . . . . 74.200000000000003 110.928 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 662' ' ' GLY . . . . . . . . . . . . . . . 163.4 151.96 6.65 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.716 -0.754 . . . . 71.219999999999999 112.478 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 12.9 ttpt -174.28 151.88 1.7 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.715 0.293 . . . . 74.540000000000006 110.896 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 9.3 tp-100 -174.05 158.12 3.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 74.530000000000001 110.925 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 665' ' ' HIS . . . . . . . . . . . . . 59.4 m-70 -155.66 168.08 28.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 74.430000000000007 110.835 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 666' ' ' VAL . . . . . . . . . . . . . 10.7 p -175.4 151.87 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 61.399999999999999 111.129 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -119.9 157.52 52.39 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.704 0.764 . . . . 73.140000000000001 110.851 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 668' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -177.22 1.78 Allowed 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.605 2.203 . . . . 74.439999999999998 112.369 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 669' ' ' LEU . . . . . . . . . . . . . 1.6 pp -173.7 141.93 0.88 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.26 -0.427 . . . . 74.329999999999998 110.907 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 670' ' ' LYS . . . . . . . . . . . . . 22.2 pttm -172.1 -178.84 2.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 70.409999999999997 110.908 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 671' ' ' ILE . . . . . . . . . . . . . 42.1 pt -150.44 -176.73 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 73.040000000000006 111.14 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 12.2 mt -148.3 174.1 12.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 62.32 110.879 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 673' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -173.29 178.65 2.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 51.229999999999997 110.833 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -175.89 168.35 3.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 73.219999999999999 111.103 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -175.88 144.78 0.63 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.219 -0.446 . . . . 54.530000000000001 110.874 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . -162.36 -179.74 7.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 25.039999999999999 111.064 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -165.71 156.98 13.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.11 -0.495 . . . . 72.5 110.916 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 678' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? -102.91 -58.52 1.86 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 73.209999999999994 110.883 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 679' ' ' VAL . . . . . 0.6 ' O ' HG22 ' A' ' 679' ' ' VAL . 13.1 p 39.65 38.56 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.28 -0.418 . . . . 73.239999999999995 111.101 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 680' ' ' GLY . . . . . . . . . . . . . . . -93.71 -164.06 36.67 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.742 -0.742 . . . . 70.430000000000007 112.532 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 681' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.353 0 CA-C-O 120.797 0.332 . . . . 73.430000000000007 111.192 179.92 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 561' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.231 0.166 0 CA-C-O 120.763 0.234 . . . . 52.210000000000001 112.385 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 562' ' ' VAL . . . . . . . . . . . . . 46.4 t -114.67 73.67 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 72.349999999999994 111.123 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 563' ' ' ASN . . . . . . . . . . . . . 39.6 m-80 -107.15 -45.49 4.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 64.430000000000007 110.869 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -85.29 146.84 26.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 72.409999999999997 110.897 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 565' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.19 144.93 42.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 73.299999999999997 110.842 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 34.6 t -123.78 110.52 15.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 72.129999999999995 110.879 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 567' ' ' LYS . . . . . . . . . . . . . 43.3 mmtm -106.65 -177.65 3.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 75.310000000000002 110.896 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 21.6 mmm180 -53.23 122.24 9.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 74.530000000000001 110.838 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 44.1 m -108.77 135.67 49.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.49 . . . . 54.43 110.874 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -122.04 91.41 3.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 73.200000000000003 110.879 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 5.0 mp -120.17 87.89 2.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.464 . . . . 75.439999999999998 110.95 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 2.5 m -141.23 161.05 38.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 75.549999999999997 110.888 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 573' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -57.78 161.05 4.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 73.319999999999993 110.921 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 574' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.74 -26.1 65.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 74.340000000000003 110.827 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 16.2 mmm180 -68.16 166.92 15.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 74.040000000000006 110.878 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 576' ' ' ILE . . . . . . . . . . . . . 1.8 tt 39.55 38.62 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 75.140000000000001 111.088 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 4.9 ptt-85 -60.84 -172.14 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 74.349999999999994 110.889 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 578' ' ' ARG . . . . . . . . . . . . . 13.9 tpp180 -120.45 136.13 25.04 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.604 0.716 . . . . 72.319999999999993 110.817 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 118.81 5.9 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.67 2.246 . . . . 74.409999999999997 112.355 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 580' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -92.23 145.43 24.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 74.400000000000006 110.904 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 581' ' ' SER . . . . . 0.54 ' O ' HG23 ' A' ' 585' ' ' VAL . 1.3 m -72.59 159.68 33.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 70.209999999999994 110.876 -179.813 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 582' ' ' VAL . . . . . . . . . . . . . 59.5 t -54.05 -30.77 20.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 64.439999999999998 111.138 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -67.63 -47.47 69.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 70.140000000000001 111.098 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 584' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -71.91 -41.77 67.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 73.349999999999994 110.91 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 585' ' ' VAL . . . . . 0.684 ' O ' HG23 ' A' ' 589' ' ' VAL . 95.2 t -59.89 -35.91 63.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 74.129999999999995 111.179 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 586' ' ' GLU . . . . . 0.563 ' HG3' HD11 ' A' ' 646' ' ' LEU . 35.0 mt-10 -60.45 -48.69 80.67 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.137 -0.483 . . . . 50.450000000000003 110.867 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 587' ' ' ALA . . . . . 0.583 ' HB1' ' HA ' ' A' ' 607' ' ' ALA . . . -60.14 -32.87 71.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 62.229999999999997 111.105 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 588' ' ' LEU . . . . . 0.505 HD13 ' C ' ' A' ' 588' ' ' LEU . 3.3 tm? -70.05 -49.4 51.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 64.120000000000005 110.888 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 589' ' ' VAL . . . . . 0.684 HG23 ' O ' ' A' ' 585' ' ' VAL . 18.4 t -60.85 -57.44 12.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 63.329999999999998 111.122 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -55.77 -30.46 61.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 63.240000000000002 110.917 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 591' ' ' ALA . . . . . . . . . . . . . . . -72.76 -45.74 57.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.104 -0.498 . . . . 73.540000000000006 111.102 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 592' ' ' VAL . . . . . 0.428 HG12 ' O ' ' A' ' 589' ' ' VAL . 12.7 p -74.5 -26.2 19.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.455 . . . . 75.510000000000005 111.114 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.35 -41.69 63.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 73.439999999999998 110.945 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 7.7 t-80 -84.97 -47.3 10.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.123 -0.49 . . . . 74.230000000000004 110.864 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 595' ' ' LEU . . . . . 0.577 HD13 ' C ' ' A' ' 602' ' ' ASP . 11.8 mt -79.84 -14.91 58.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.215 -0.448 . . . . 65.409999999999997 110.905 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 596' ' ' GLY . . . . . . . . . . . . . . . 81.16 170.06 42.82 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.806 -0.711 . . . . 65.019999999999996 112.487 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -80.58 0.75 32.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.834 0.349 . . . . 61.439999999999998 111.148 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 598' ' ' GLY . . . . . . . . . . . . . . . -100.16 -14.25 33.97 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.758 -0.734 . . . . 61.130000000000003 112.48 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 599' ' ' ARG . . . . . 0.673 ' O ' HG23 ' A' ' 603' ' ' VAL . 10.7 mtt85 -104.12 70.44 0.98 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.774 0.321 . . . . 61.240000000000002 110.844 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 600' ' ' TRP . . . . . . . . . . . . . 21.8 m0 -62.81 -50.43 71.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.215 -0.448 . . . . 72.140000000000001 110.901 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 601' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -53.73 -47.64 70.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.226 -0.443 . . . . 71.129999999999995 110.879 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 602' ' ' ASP . . . . . 0.577 ' C ' HD13 ' A' ' 595' ' ' LEU . 28.2 m-20 -63.03 -35.73 81.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 61.310000000000002 110.919 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 603' ' ' VAL . . . . . 0.673 HG23 ' O ' ' A' ' 599' ' ' ARG . 52.4 t -65.69 -31.69 54.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.151 -0.477 . . . . 63.049999999999997 111.199 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 1.5 ttpm? -68.19 -49.95 57.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 73.019999999999996 110.868 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 605' ' ' MET . . . . . . . . . . . . . 30.5 mtm -73.19 -30.92 63.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 75.200000000000003 110.915 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 606' ' ' ARG . . . . . 0.569 ' CB ' HD11 ' A' ' 595' ' ' LEU . 7.0 tpm_? -73.71 -41.06 63.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 72.340000000000003 110.869 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 607' ' ' ALA . . . . . 0.583 ' HA ' ' HB1' ' A' ' 587' ' ' ALA . . . -91.02 -70.16 0.7 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.478 . . . . 71.510000000000005 111.073 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 608' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -70.59 124.52 24.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 75.099999999999994 110.905 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -72.19 -34.15 68.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 75.310000000000002 110.896 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -89.84 47.24 1.44 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 72.549999999999997 110.888 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 611' ' ' ALA . . . . . . . . . . . . . . . -87.05 54.68 3.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.25 -0.432 . . . . 63.210000000000001 111.13 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -100.82 87.83 3.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 62.210000000000001 110.844 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 613' ' ' HIS . . . . . . . . . . . . . 5.7 t-160 64.99 57.92 0.95 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 73.430000000000007 110.925 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 614' ' ' ARG . . . . . . . . . . . . . 5.3 tpp85 -125.12 157.13 37.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 65.329999999999998 110.866 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 615' ' ' THR . . . . . 0.738 HG23 HG12 ' A' ' 617' ' ' VAL . 4.5 t -73.67 158.01 35.49 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.179 -0.464 . . . . 70.120000000000005 111.13 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 616' ' ' TYR . . . . . . . . . . . . . 28.7 p90 -98.56 21.48 11.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 55.149999999999999 110.945 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 617' ' ' VAL . . . . . 0.738 HG12 HG23 ' A' ' 615' ' ' THR . 11.8 p -72.16 -33.64 47.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.123 -0.489 . . . . 62.210000000000001 111.084 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 618' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.75 -50.77 40.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.277 -0.419 . . . . 75.040000000000006 110.89 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 619' ' ' LEU . . . . . . . . . . . . . 3.1 pp -66.79 -38.23 86.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 74.120000000000005 110.967 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 620' ' ' LYS . . . . . . . . . . . . . 17.7 ttmt -66.46 -44.21 83.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 74.530000000000001 110.958 179.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 52.8 t0 -71.62 -35.06 70.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.16 -0.473 . . . . 60.420000000000002 110.859 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 31.8 mtpt -58.95 -42.62 90.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 62.43 110.921 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 623' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -70.23 -47.71 60.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 74.010000000000005 110.893 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 2.6 tttp -51.67 -46.91 63.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 74.129999999999995 110.874 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 15.1 t -72.43 -28.51 63.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 64.5 111.149 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 626' ' ' LEU . . . . . 0.714 HD22 HG21 ' A' ' 650' ' ' VAL . 0.6 OUTLIER -65.21 -55.22 19.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 73.049999999999997 110.904 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 627' ' ' VAL . . . . . 0.812 HG23 HD12 ' A' ' 651' ' ' LEU . 4.0 p -58.26 -45.11 89.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 71.510000000000005 111.116 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 628' ' ' HIS . . . . . 0.43 ' N ' HG13 ' A' ' 627' ' ' VAL . 0.2 OUTLIER -62.23 -26.69 68.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.187 -0.461 . . . . 73.310000000000002 110.922 179.923 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 629' ' ' THR . . . . . . . . . . . . . 7.5 m -77.17 -29.63 54.56 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.183 -0.462 . . . . 32.32 111.106 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 630' ' ' ALA . . . . . 0.769 ' HA ' HD13 ' A' ' 647' ' ' LEU . . . -53.84 -48.48 69.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.261 -0.427 . . . . 73.349999999999994 111.121 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 631' ' ' SER . . . . . 0.693 ' C ' HD12 ' A' ' 632' ' ' ILE . 0.4 OUTLIER 170.02 68.87 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 73.400000000000006 110.861 -179.824 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 632' ' ' ILE . . . . . 0.693 HD12 ' C ' ' A' ' 631' ' ' SER . 1.8 mp -123.46 -73.35 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.091 -0.504 . . . . 74.340000000000003 111.161 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 633' ' ' ALA . . . . . 0.558 ' N ' HG22 ' A' ' 632' ' ' ILE . . . -104.2 148.85 36.59 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.621 0.724 . . . . 42.409999999999997 111.142 179.803 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 634' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 -29.49 23.67 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.641 2.227 . . . . 73.329999999999998 112.405 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 635' ' ' GLN . . . . . . . . . . . . . 19.9 mm100 -70.03 -14.28 62.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 74.310000000000002 110.984 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 -80.47 -34.94 35.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 73.219999999999999 110.88 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 637' ' ' ARG . . . . . . . . . . . . . 4.9 tmm_? -84.65 113.99 21.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 54.350000000000001 110.858 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 638' ' ' ARG . . . . . . . . . . . . . 1.3 tpt85 -114.09 -57.34 2.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 72.340000000000003 110.807 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 639' ' ' GLY . . . . . . . . . . . . . . . 156.25 -20.79 0.49 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.741 -0.742 . . . . 72.439999999999998 112.476 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 640' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -51.68 160.66 1.01 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.67 0.747 . . . . 64.140000000000001 110.839 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.74 120.13 6.97 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.619 2.213 . . . . 55.329999999999998 112.377 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 642' ' ' VAL . . . . . 0.742 HG21 HD11 ' A' ' 647' ' ' LEU . 1.5 p -134.46 130.96 20.21 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.598 0.713 . . . . 74.420000000000002 111.099 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 643' ' ' PRO . . . . . 0.521 ' CG ' HD12 ' A' ' 646' ' ' LEU . 54.2 Cg_endo -69.79 128.51 16.1 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.691 2.261 . . . . 72.340000000000003 112.343 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -75.97 -22.59 55.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 72.200000000000003 110.932 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 52.0 t0 -70.65 -35.3 72.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 74.530000000000001 110.896 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 646' ' ' LEU . . . . . 0.678 ' O ' HG23 ' A' ' 650' ' ' VAL . 42.6 mt -76.05 -50.26 15.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 53.32 110.911 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 647' ' ' LEU . . . . . 0.769 HD13 ' HA ' ' A' ' 630' ' ' ALA . 50.1 mt -55.46 -43.06 75.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 75.519999999999996 110.942 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -64.47 -47.37 79.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 64.340000000000003 110.845 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 75.1 mtt180 -64.49 -37.5 87.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.212 -0.449 . . . . 70.109999999999999 110.868 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 650' ' ' VAL . . . . . 0.714 HG21 HD22 ' A' ' 626' ' ' LEU . 51.1 t -57.0 -49.99 77.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 50.32 111.187 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 651' ' ' LEU . . . . . 0.812 HD12 HG23 ' A' ' 627' ' ' VAL . 6.0 mp -61.82 -36.87 82.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 62.350000000000001 110.949 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -54.63 -51.09 66.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 65.319999999999993 111.1 179.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -76.01 -44.51 39.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 74.430000000000007 111.093 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 654' ' ' HIS . . . . . . . . . . . . . 63.3 t60 -54.15 -44.38 71.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 73.219999999999999 110.818 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -77.24 -46.79 22.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 45.219999999999999 111.103 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 79.9 t80 -53.82 -50.29 66.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 61.340000000000003 110.887 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 657' ' ' TRP . . . . . . . . . . . . . 69.4 m95 -71.31 -33.73 69.94 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.11 -0.495 . . . . 74.310000000000002 110.952 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -56.91 -31.05 64.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 74.329999999999998 110.887 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 659' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -59.51 -20.05 52.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 71.319999999999993 110.849 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 64.26 62.19 0.85 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 73.430000000000007 110.93 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -81.08 -24.75 37.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 63.119999999999997 110.945 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 662' ' ' GLY . . . . . . . . . . . . . . . -128.7 -141.19 5.11 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.83 -0.7 . . . . 74.099999999999994 112.506 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 12.8 mmtm -154.3 140.87 18.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.751 0.31 . . . . 60.420000000000002 110.863 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -177.1 151.92 0.85 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 75.219999999999999 110.925 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 665' ' ' HIS . . . . . . . . . . . . . 6.9 p-80 -173.02 149.27 1.84 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.461 . . . . 74.439999999999998 110.81 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 666' ' ' VAL . . . . . . . . . . . . . 21.4 t -145.14 150.84 15.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 75.120000000000005 111.113 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -113.82 157.41 41.86 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.645 0.736 . . . . 74.219999999999999 110.907 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 668' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -170.93 0.43 Allowed 'Trans proline' 0 C--O 1.233 0.231 0 C-N-CA 122.662 2.241 . . . . 71.329999999999998 112.329 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 669' ' ' LEU . . . . . . . . . . . . . 8.6 tp -126.99 165.58 19.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 74.010000000000005 110.892 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 670' ' ' LYS . . . . . . . . . . . . . 32.7 tttp -117.15 165.78 13.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 64.140000000000001 110.971 179.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 671' ' ' ILE . . . . . . . . . . . . . 10.1 tp -137.5 145.78 28.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.275 -0.421 . . . . 63.219999999999999 111.149 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 12.4 tp -97.49 155.24 17.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 63.439999999999998 110.917 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 673' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -178.98 147.49 0.35 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.124 -0.489 . . . . 73.329999999999998 110.849 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -175.52 167.69 3.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 51.149999999999999 111.065 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 24.4 tptt -176.04 146.63 0.7 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 70.109999999999999 110.909 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . -152.35 177.9 10.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 63.439999999999998 111.058 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 6.1 tp60 -171.84 152.2 2.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 72.430000000000007 110.935 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 678' ' ' LYS . . . . . . . . . . . . . 21.8 tptt -93.31 -60.75 1.71 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.445 . . . . 73.129999999999995 110.899 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 679' ' ' VAL . . . . . . . . . . . . . 38.6 t 62.48 75.16 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.262 -0.426 . . . . 64.129999999999995 111.135 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 680' ' ' GLY . . . . . . . . . . . . . . . -132.57 -171.84 12.87 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.798 -0.715 . . . . 75.120000000000005 112.476 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 681' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-O 120.748 0.308 . . . . 71.040000000000006 111.117 179.962 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 561' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 N--CA 1.465 -0.18 0 CA-C-O 120.875 0.281 . . . . 75.239999999999995 112.334 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 562' ' ' VAL . . . . . . . . . . . . . 43.4 t -145.85 109.87 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 73.230000000000004 111.116 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 563' ' ' ASN . . . . . . . . . . . . . 40.6 t30 -162.82 165.63 25.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 63.149999999999999 110.883 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -159.77 154.75 24.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 75.430000000000007 110.931 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 565' ' ' LYS . . . . . . . . . . . . . 36.0 mmtt -120.19 161.62 20.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 70.540000000000006 110.87 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 74.9 p -122.76 141.01 52.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.21 -0.45 . . . . 74.109999999999999 110.86 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 567' ' ' LYS . . . . . . . . . . . . . 29.3 mtmm -134.51 113.24 11.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.469 . . . . 75.109999999999999 110.955 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 50.4 mtp85 -138.44 138.87 38.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 72.319999999999993 110.896 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -106.41 125.33 50.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 64.140000000000001 110.884 -179.818 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -112.66 136.59 52.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.104 -0.498 . . . . 71.209999999999994 110.86 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 94.6 mt -84.5 73.66 10.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 73.25 110.945 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 68.4 m -133.41 179.34 6.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 73.019999999999996 110.871 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 573' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -133.99 103.39 5.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 72.019999999999996 110.892 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 574' ' ' ARG . . . . . . . . . . . . . 11.4 tpt85 -116.32 162.54 17.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.43 . . . . 74.549999999999997 110.903 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 29.8 ttm-85 -151.22 108.48 3.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.252 -0.431 . . . . 44.109999999999999 110.916 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 576' ' ' ILE . . . . . 0.681 HD11 ' CZ ' ' A' ' 580' ' ' PHE . 35.4 pt -52.2 170.73 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 71.329999999999998 111.138 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 30.6 mtp180 -138.3 24.53 2.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 63.409999999999997 110.933 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 578' ' ' ARG . . . . . . . . . . . . . 4.0 mtp180 -120.44 160.09 45.3 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.656 0.741 . . . . 71.439999999999998 110.833 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 152.91 69.53 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.708 2.272 . . . . 64.129999999999995 112.337 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 580' ' ' PHE . . . . . 0.681 ' CZ ' HD11 ' A' ' 576' ' ' ILE . 25.9 m-85 -91.69 142.96 27.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 70.049999999999997 110.879 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 581' ' ' SER . . . . . 0.426 ' O ' HG23 ' A' ' 585' ' ' VAL . 12.9 m -72.59 158.54 35.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.499 . . . . 73.239999999999995 110.819 -179.814 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 582' ' ' VAL . . . . . 0.69 HG13 ' HG3' ' A' ' 643' ' ' PRO . 87.0 t -51.96 -39.01 24.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.082 -0.508 . . . . 72.019999999999996 111.111 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -69.27 -34.9 75.46 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.186 -0.461 . . . . 52.200000000000003 111.064 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 584' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -75.26 -38.5 60.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 65.209999999999994 110.834 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 585' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 581' ' ' SER . 60.5 t -71.95 -34.58 51.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 73.420000000000002 111.131 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -51.22 -30.79 18.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.084 -0.507 . . . . 74.230000000000004 110.911 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 587' ' ' ALA . . . . . . . . . . . . . . . -76.16 -35.48 59.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 62.43 111.122 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 588' ' ' LEU . . . . . 0.524 ' O ' HG23 ' A' ' 592' ' ' VAL . 0.2 OUTLIER -62.88 -48.35 79.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 70.109999999999999 110.891 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 589' ' ' VAL . . . . . 0.596 HG22 HD21 ' A' ' 626' ' ' LEU . 10.4 t -68.35 -55.91 14.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 73.019999999999996 111.133 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -51.04 -43.57 60.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.083 -0.508 . . . . 72.340000000000003 110.903 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 591' ' ' ALA . . . . . 0.633 ' HB3' HG13 ' A' ' 603' ' ' VAL . . . -66.94 -41.86 86.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 63.310000000000002 111.146 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 592' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 588' ' ' LEU . 40.7 t -69.26 -25.22 28.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.262 -0.426 . . . . 75.439999999999998 111.081 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -73.23 -38.41 66.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.492 . . . . 74.319999999999993 110.852 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -86.67 -47.7 8.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 72.140000000000001 110.921 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 595' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -79.37 -24.1 42.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 74.420000000000002 110.899 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 596' ' ' GLY . . . . . 0.403 ' CA ' ' O ' ' A' ' 592' ' ' VAL . . . 87.74 -167.38 36.7 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.75 -0.738 . . . . 55.229999999999997 112.516 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 4.5 p -102.52 34.12 2.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.854 0.359 . . . . 73.549999999999997 111.108 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 598' ' ' GLY . . . . . . . . . . . . . . . -143.8 11.71 2.15 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.748 -0.739 . . . . 73.430000000000007 112.473 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 599' ' ' ARG . . . . . 0.594 ' O ' HG23 ' A' ' 603' ' ' VAL . 70.4 mtt180 -132.06 77.41 1.76 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.801 0.334 . . . . 71.129999999999995 110.842 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 600' ' ' TRP . . . . . 0.67 ' HB3' HD12 ' A' ' 619' ' ' LEU . 11.1 m0 -69.46 -50.25 47.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.485 . . . . 72.040000000000006 110.919 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 601' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.61 -36.55 56.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.43 . . . . 74.040000000000006 110.864 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 602' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -76.86 -48.72 17.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 73.030000000000001 110.904 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 603' ' ' VAL . . . . . 0.633 HG13 ' HB3' ' A' ' 591' ' ' ALA . 52.9 t -58.5 -36.09 57.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.081 -0.509 . . . . 62.119999999999997 111.154 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 604' ' ' LYS . . . . . 0.653 ' HG3' HD21 ' A' ' 619' ' ' LEU . 2.3 ttpm? -71.9 -41.24 68.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 71.230000000000004 110.901 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 605' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -71.28 -32.99 69.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 71.25 110.874 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 606' ' ' ARG . . . . . . . . . . . . . 26.7 ttm-85 -80.94 -40.48 24.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 75.099999999999994 110.847 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -83.81 -70.97 0.53 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 65.120000000000005 111.074 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 608' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -71.08 125.49 27.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 74.329999999999998 110.849 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -71.21 -33.76 70.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.114 -0.494 . . . . 71.409999999999997 110.799 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -98.93 53.95 0.99 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 73.25 110.858 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 611' ' ' ALA . . . . . . . . . . . . . . . -86.31 52.87 2.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.101 -0.5 . . . . 65.400000000000006 111.078 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -98.68 -64.61 1.02 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 72.209999999999994 110.867 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 613' ' ' HIS . . . . . . . . . . . . . 5.0 t-160 -109.02 25.97 11.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 71.209999999999994 110.866 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 614' ' ' ARG . . . . . . . . . . . . . 16.1 tpp180 -87.97 156.16 19.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.449 . . . . 63.509999999999998 110.907 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 615' ' ' THR . . . . . 0.661 ' OG1' HG12 ' A' ' 617' ' ' VAL . 5.3 t -88.52 160.58 17.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 53.409999999999997 111.169 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 616' ' ' TYR . . . . . . . . . . . . . 16.8 p90 -87.84 -24.53 23.68 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.195 -0.457 . . . . 73.420000000000002 110.933 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 617' ' ' VAL . . . . . 0.661 HG12 ' OG1' ' A' ' 615' ' ' THR . 12.2 p -65.17 -32.55 58.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.084 -0.507 . . . . 73.239999999999995 111.172 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 618' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -51.52 -29.72 17.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 65.340000000000003 110.89 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 619' ' ' LEU . . . . . 0.67 HD12 ' HB3' ' A' ' 600' ' ' TRP . 4.5 mt -77.18 -53.06 8.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 72.239999999999995 110.97 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 620' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.39 -33.09 73.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 72.439999999999998 110.91 179.807 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -68.98 -50.44 49.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 71.340000000000003 110.914 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.5 -33.73 74.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 74.510000000000005 110.917 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 623' ' ' TRP . . . . . 0.729 ' CZ3' HG23 ' A' ' 650' ' ' VAL . 9.1 t-105 -74.19 -54.98 6.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 63.310000000000002 110.912 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 2.6 tmtt? -51.64 -45.48 63.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 73.200000000000003 110.896 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 9.0 t -71.04 -28.99 64.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.25 -0.432 . . . . 63.119999999999997 111.159 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 626' ' ' LEU . . . . . 0.664 ' HG ' HG21 ' A' ' 650' ' ' VAL . 4.7 tp -71.19 -55.07 8.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 71.099999999999994 110.844 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 627' ' ' VAL . . . . . 0.76 HG21 ' CG ' ' A' ' 654' ' ' HIS . 6.3 p -57.43 -43.84 83.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 71.540000000000006 111.106 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 628' ' ' HIS . . . . . 0.488 ' HA ' HD13 ' A' ' 632' ' ' ILE . 0.1 OUTLIER -57.86 -39.32 77.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 73.299999999999997 110.857 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 629' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -66.31 -29.63 69.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 65.519999999999996 111.049 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 630' ' ' ALA . . . . . 0.764 ' HA ' HD13 ' A' ' 647' ' ' LEU . . . -54.26 -49.04 70.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.307 -0.406 . . . . 61.299999999999997 111.093 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 631' ' ' SER . . . . . 0.74 ' C ' HD12 ' A' ' 632' ' ' ILE . 11.5 t 173.54 69.27 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.429 . . . . 73.049999999999997 110.842 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 632' ' ' ILE . . . . . 0.74 HD12 ' C ' ' A' ' 631' ' ' SER . 1.9 mp -129.07 -72.57 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 61.229999999999997 111.086 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 633' ' ' ALA . . . . . 0.525 ' N ' HG22 ' A' ' 632' ' ' ILE . . . -103.42 147.5 34.28 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.596 0.712 . . . . 73.319999999999993 111.084 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 634' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -37.49 9.16 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.657 2.238 . . . . 63.340000000000003 112.332 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 635' ' ' GLN . . . . . . . . . . . . . 24.0 mm-40 -65.63 -14.86 62.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.267 -0.424 . . . . 71.340000000000003 110.883 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -81.53 -33.52 31.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 65.400000000000006 110.846 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 637' ' ' ARG . . . . . . . . . . . . . 17.0 mmt85 -84.66 114.39 21.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 74.510000000000005 110.858 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 638' ' ' ARG . . . . . . . . . . . . . 19.5 mmt85 -113.41 -55.06 2.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.107 -0.497 . . . . 63.310000000000002 110.838 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 639' ' ' GLY . . . . . . . . . . . . . . . 153.76 -18.5 0.66 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.7 -0.762 . . . . 42.219999999999999 112.459 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 640' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -50.71 154.95 2.1 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.644 0.735 . . . . 75.420000000000002 110.924 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.76 121.24 7.93 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.734 2.289 . . . . 73.209999999999994 112.295 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 642' ' ' VAL . . . . . 0.525 HG21 HD11 ' A' ' 647' ' ' LEU . 3.2 p -133.37 134.45 23.94 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.686 0.755 . . . . 71.409999999999997 111.092 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 643' ' ' PRO . . . . . 0.69 ' HG3' HG13 ' A' ' 582' ' ' VAL . 53.7 Cg_endo -69.76 128.74 16.46 Favored 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 122.715 2.277 . . . . 70.409999999999997 112.323 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 44.0 tt0 -70.25 -25.61 63.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.232 -0.44 . . . . 64.019999999999996 110.949 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -64.56 -39.14 93.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.179 -0.464 . . . . 54.329999999999998 110.871 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 646' ' ' LEU . . . . . . . . . . . . . 17.5 mt -75.39 -42.64 53.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 74.340000000000003 110.944 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 647' ' ' LEU . . . . . 0.764 HD13 ' HA ' ' A' ' 630' ' ' ALA . 44.5 mt -67.62 -35.49 79.03 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.174 -0.466 . . . . 73.409999999999997 110.868 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -72.72 -39.8 66.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 72.120000000000005 110.892 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 16.5 mmt180 -74.69 -48.48 25.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 73.409999999999997 110.845 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 650' ' ' VAL . . . . . 0.729 HG23 ' CZ3' ' A' ' 623' ' ' TRP . 9.8 p -55.9 -35.61 41.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.238 -0.437 . . . . 71.319999999999993 111.133 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 651' ' ' LEU . . . . . 0.592 HD11 ' HB1' ' A' ' 630' ' ' ALA . 39.4 mt -72.94 -37.65 67.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 74.230000000000004 110.903 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -57.24 -52.49 65.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 61.530000000000001 111.1 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 653' ' ' ALA . . . . . 0.553 ' HB3' ' HH2' ' A' ' 623' ' ' TRP . . . -70.62 -44.09 67.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.431 . . . . 65.219999999999999 111.084 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 654' ' ' HIS . . . . . 0.76 ' CG ' HG21 ' A' ' 627' ' ' VAL . 36.0 t-80 -56.08 -44.06 78.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 72.120000000000005 110.895 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -77.42 -46.76 21.63 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.16 -0.473 . . . . 64.430000000000007 111.14 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 80.2 t80 -55.56 -50.02 71.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 74.450000000000003 110.938 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 657' ' ' TRP . . . . . . . . . . . . . 69.0 m95 -70.82 -30.92 67.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.136 -0.484 . . . . 71.310000000000002 110.922 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 8.9 t -58.99 -34.61 72.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.244 -0.434 . . . . 75.310000000000002 110.875 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 659' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -56.99 -24.47 53.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 72.219999999999999 110.885 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -125.36 26.63 6.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.438 . . . . 64.400000000000006 110.889 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -157.05 177.27 11.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 72.299999999999997 110.938 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 662' ' ' GLY . . . . . . . . . . . . . . . -100.98 -155.08 27.02 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.728 -0.749 . . . . 64.510000000000005 112.391 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -172.7 -176.28 1.46 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.719 0.295 . . . . 62.219999999999999 110.881 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 10.0 mm100 -129.39 -176.43 3.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 72.5 110.948 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 665' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -160.79 121.49 2.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 61.420000000000002 110.877 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 666' ' ' VAL . . . . . . . . . . . . . 7.7 p -177.15 137.34 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 71.5 111.155 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -118.77 160.4 40.56 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.619 0.723 . . . . 70.310000000000002 110.907 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 668' ' ' PRO . . . . . 0.597 ' HB2' HD23 ' A' ' 669' ' ' LEU . 53.6 Cg_endo -69.75 -48.36 0.74 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.692 2.261 . . . . 74.310000000000002 112.348 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 669' ' ' LEU . . . . . 0.597 HD23 ' HB2' ' A' ' 668' ' ' PRO . 1.3 pt? -172.83 -171.41 0.76 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 71.319999999999993 110.887 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 670' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.56 152.68 32.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 60.119999999999997 110.929 179.823 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 671' ' ' ILE . . . . . . . . . . . . . 17.7 tt -175.58 147.21 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.434 . . . . 73.299999999999997 111.161 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 5.1 tp -115.4 126.97 55.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 71.219999999999999 110.953 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 673' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -175.76 128.46 0.24 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 63.409999999999997 110.879 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -176.5 140.29 0.36 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 70.340000000000003 111.022 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.32 165.35 3.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 73.140000000000001 110.876 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . 59.97 34.64 21.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 75.310000000000002 111.133 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -96.08 76.36 3.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 63.329999999999998 110.907 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 678' ' ' LYS . . . . . . . . . . . . . 8.9 tmtt? -105.74 85.23 2.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.468 . . . . 64.040000000000006 110.953 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 679' ' ' VAL . . . . . . . . . . . . . 25.7 t -121.07 91.72 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 61.229999999999997 111.212 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 680' ' ' GLY . . . . . . . . . . . . . . . 66.72 -149.08 51.13 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.734 -0.746 . . . . 72.109999999999999 112.497 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 681' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-O 120.781 0.324 . . . . 64.25 111.065 -179.999 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 561' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--O 1.231 0.147 0 CA-C-O 120.84 0.267 . . . . 65.230000000000004 112.298 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 562' ' ' VAL . . . . . . . . . . . . . 6.8 p -175.27 125.28 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.184 -0.462 . . . . 74.510000000000005 111.056 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 563' ' ' ASN . . . . . . . . . . . . . 6.7 p-10 -173.02 154.57 2.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.117 -0.492 . . . . 74.209999999999994 110.875 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 -142.92 156.08 44.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 54.149999999999999 110.954 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 565' ' ' LYS . . . . . . . . . . . . . 8.6 pttp -176.24 114.6 0.12 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 64.140000000000001 110.893 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 1.3 m -127.14 130.29 49.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 65.409999999999997 110.911 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 567' ' ' LYS . . . . . . . . . . . . . 32.6 mtpt -149.39 140.74 23.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.494 . . . . 73.319999999999993 110.938 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 12.1 ptt180 -175.16 151.27 1.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.293 -0.412 . . . . 73.230000000000004 110.939 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 74.2 m -117.12 151.8 36.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.243 -0.435 . . . . 62.340000000000003 110.791 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -139.2 178.76 6.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 75.219999999999999 110.867 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 33.7 mt -74.46 -170.28 0.98 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 70.430000000000007 110.936 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 8.5 t -157.12 134.07 10.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 63.219999999999999 110.879 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 573' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -160.8 159.95 30.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.089 -0.505 . . . . 74.209999999999994 110.903 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 574' ' ' ARG . . . . . . . . . . . . . 3.1 tmm_? -131.24 116.27 17.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 72.409999999999997 110.821 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -176.93 143.79 0.43 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 75.230000000000004 110.865 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 576' ' ' ILE . . . . . . . . . . . . . 6.8 tp -116.1 144.58 23.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.482 . . . . 62.140000000000001 111.088 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 15.6 ttm-85 -100.59 -77.94 0.53 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.472 . . . . 64.230000000000004 110.854 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 578' ' ' ARG . . . . . . . . . . . . . 63.6 mtp180 -121.29 155.55 58.53 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.593 0.711 . . . . 71.129999999999995 110.828 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 81.49 0.81 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.684 2.256 . . . . 52.420000000000002 112.35 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 580' ' ' PHE . . . . . . . . . . . . . 10.6 p90 -92.51 141.86 28.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 74.049999999999997 110.851 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 34.7 m -109.06 -178.57 3.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.105 -0.498 . . . . 53.030000000000001 110.839 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 582' ' ' VAL . . . . . 0.59 HG13 ' HG3' ' A' ' 643' ' ' PRO . 85.8 t -51.7 -37.66 20.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.486 . . . . 60.43 111.155 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -69.97 -35.08 74.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 71.219999999999999 111.1 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 584' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -74.71 -52.86 10.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.291 -0.413 . . . . 64.239999999999995 110.893 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 585' ' ' VAL . . . . . 0.639 HG22 ' HE2' ' A' ' 622' ' ' LYS . 88.5 t -53.8 -33.88 24.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 33.439999999999998 111.136 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -60.69 -30.96 70.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 72.409999999999997 110.869 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 587' ' ' ALA . . . . . . . . . . . . . . . -71.25 -47.91 54.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 73.510000000000005 111.128 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 588' ' ' LEU . . . . . 0.632 HD21 ' HA ' ' A' ' 619' ' ' LEU . 0.1 OUTLIER -54.38 -54.88 34.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 71.010000000000005 110.92 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 589' ' ' VAL . . . . . 0.737 HG11 HD22 ' A' ' 646' ' ' LEU . 4.5 p -62.43 -46.47 96.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 61.219999999999999 111.181 179.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 590' ' ' GLU . . . . . 0.469 ' N ' HG13 ' A' ' 589' ' ' VAL . 37.7 mt-10 -51.45 -47.45 63.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.117 -0.492 . . . . 64.420000000000002 110.916 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 591' ' ' ALA . . . . . 0.433 ' HB3' HG13 ' A' ' 603' ' ' VAL . . . -70.13 -35.06 73.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.136 -0.483 . . . . 73.540000000000006 111.165 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 592' ' ' VAL . . . . . 0.413 ' O ' ' CA ' ' A' ' 596' ' ' GLY . 4.3 t -70.53 -27.94 33.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.197 -0.456 . . . . 54.43 111.097 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 593' ' ' GLU . . . . . 0.451 ' OE2' ' HB2' ' A' ' 653' ' ' ALA . 1.2 mm-40 -75.64 -35.31 60.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 63.409999999999997 110.889 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -85.6 -48.01 9.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 63.420000000000002 110.903 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 595' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -82.09 -24.65 35.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 64.329999999999998 110.879 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 596' ' ' GLY . . . . . 0.413 ' CA ' ' O ' ' A' ' 592' ' ' VAL . . . 89.96 -145.37 18.17 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.737 -0.744 . . . . 61.539999999999999 112.537 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 3.2 p -122.61 27.98 7.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.825 0.345 . . . . 75.150000000000006 111.162 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 598' ' ' GLY . . . . . . . . . . . . . . . -131.84 1.8 5.14 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.761 -0.733 . . . . 74.239999999999995 112.455 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 599' ' ' ARG . . . . . 0.623 ' O ' HG23 ' A' ' 603' ' ' VAL . 61.6 mtm-85 -128.09 83.03 2.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.767 0.318 . . . . 74.540000000000006 110.927 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 600' ' ' TRP . . . . . 0.45 ' HB3' HD11 ' A' ' 619' ' ' LEU . 10.8 m0 -69.35 -50.61 44.75 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.234 -0.439 . . . . 74.310000000000002 110.905 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 601' ' ' ARG . . . . . . . . . . . . . 18.5 ptt180 -53.58 -47.82 69.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.436 . . . . 75.019999999999996 110.85 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 602' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -61.62 -36.99 82.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.438 . . . . 55.299999999999997 110.882 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 603' ' ' VAL . . . . . 0.623 HG23 ' O ' ' A' ' 599' ' ' ARG . 24.8 t -62.58 -31.95 53.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.455 . . . . 72.299999999999997 111.094 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.98 -46.77 64.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 64.349999999999994 110.847 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 605' ' ' MET . . . . . . . . . . . . . 3.3 mmt -69.94 -31.36 69.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.426 . . . . 71.049999999999997 110.895 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 606' ' ' ARG . . . . . . . . . . . . . 15.7 tpp180 -78.91 -40.58 31.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 73.200000000000003 110.917 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -79.29 -65.64 0.97 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 71.219999999999999 111.111 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 608' ' ' PHE . . . . . 0.552 ' HB2' ' HB2' ' A' ' 611' ' ' ALA . 67.6 m-85 -71.2 124.71 25.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.275 -0.421 . . . . 73.540000000000006 110.87 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -72.26 -34.38 68.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 51.409999999999997 110.896 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 30.3 t-20 -133.35 68.23 1.5 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 73.510000000000005 110.859 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 611' ' ' ALA . . . . . 0.552 ' HB2' ' HB2' ' A' ' 608' ' ' PHE . . . -85.87 84.43 7.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 65.329999999999998 111.088 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.58 -58.72 5.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 63.119999999999997 110.864 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 613' ' ' HIS . . . . . . . . . . . . . 17.9 m170 -93.07 137.19 32.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 62.399999999999999 110.857 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 614' ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? -74.05 102.94 4.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 73.209999999999994 110.905 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 615' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.26 159.25 15.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 74.219999999999999 111.183 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 616' ' ' TYR . . . . . . . . . . . . . 24.6 p90 -141.32 -40.42 0.39 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 73.299999999999997 110.958 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 617' ' ' VAL . . . . . . . . . . . . . 9.3 p -69.17 -33.92 60.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.059 -0.518 . . . . 70.5 111.137 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 618' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.67 -51.44 67.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.496 . . . . 71.340000000000003 110.839 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 619' ' ' LEU . . . . . 0.632 ' HA ' HD21 ' A' ' 588' ' ' LEU . 4.5 pp -75.71 -21.54 57.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 73.400000000000006 110.896 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 620' ' ' LYS . . . . . 0.447 ' N ' HD12 ' A' ' 619' ' ' LEU . 13.5 ttmm -74.53 -39.85 62.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.242 -0.435 . . . . 73.109999999999999 110.853 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 49.0 t0 -71.2 -45.89 62.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.262 -0.426 . . . . 64.150000000000006 110.878 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 622' ' ' LYS . . . . . 0.639 ' HE2' HG22 ' A' ' 585' ' ' VAL . 1.0 OUTLIER -63.23 -33.86 76.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 50.210000000000001 110.949 179.952 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 623' ' ' TRP . . . . . 0.45 ' O ' HG23 ' A' ' 627' ' ' VAL . 0.4 OUTLIER -66.64 -45.32 79.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 73.340000000000003 110.894 179.897 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -55.78 -54.44 44.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 64.230000000000004 110.901 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 4.2 t -62.04 -34.3 75.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 74.319999999999993 111.156 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 626' ' ' LEU . . . . . 1.08 HD22 HG21 ' A' ' 650' ' ' VAL . 0.4 OUTLIER -56.1 -53.58 55.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 65.420000000000002 110.904 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 627' ' ' VAL . . . . . 0.638 ' O ' HD13 ' A' ' 632' ' ' ILE . 8.3 t -59.84 -55.41 24.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.283 -0.417 . . . . 73.510000000000005 111.09 179.828 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 628' ' ' HIS . . . . . 0.472 ' HA ' ' HB ' ' A' ' 632' ' ' ILE . 5.8 m-70 -53.51 -27.06 23.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 64.129999999999995 110.863 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 629' ' ' THR . . . . . . . . . . . . . 52.2 m -75.97 -31.24 58.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.256 -0.429 . . . . 73.230000000000004 111.149 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 630' ' ' ALA . . . . . 0.607 ' HA ' HD13 ' A' ' 647' ' ' LEU . . . -53.01 -51.21 62.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 73.109999999999999 111.137 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 631' ' ' SER . . . . . 0.668 ' C ' HD12 ' A' ' 632' ' ' ILE . 10.8 t 169.9 66.66 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 75.549999999999997 110.845 -179.813 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 632' ' ' ILE . . . . . 0.668 HD12 ' C ' ' A' ' 631' ' ' SER . 1.9 mp -120.37 -76.63 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 71.409999999999997 111.147 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 633' ' ' ALA . . . . . 0.664 ' HB3' ' HB2' ' A' ' 636' ' ' GLN . . . -104.6 140.17 20.81 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.661 0.743 . . . . 70.409999999999997 111.114 179.79 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 634' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -43.98 2.32 Favored 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.624 2.216 . . . . 42.229999999999997 112.362 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 635' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -76.52 -12.87 60.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 74.430000000000007 110.967 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 636' ' ' GLN . . . . . 0.664 ' HB2' ' HB3' ' A' ' 633' ' ' ALA . 14.9 mm100 -79.87 -2.48 43.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 73.420000000000002 110.935 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 637' ' ' ARG . . . . . . . . . . . . . 78.6 mtp180 -65.17 114.83 4.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 72.400000000000006 110.847 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 638' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -51.49 -29.06 15.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 75.239999999999995 110.877 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 639' ' ' GLY . . . . . . . . . . . . . . . 105.14 -53.83 0.64 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.721 -0.752 . . . . 71.519999999999996 112.484 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 640' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -60.99 160.53 20.31 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.61 0.719 . . . . 70.209999999999994 110.906 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.74 122.05 8.74 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.697 2.265 . . . . 72.239999999999995 112.309 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 642' ' ' VAL . . . . . 0.814 HG21 HD11 ' A' ' 647' ' ' LEU . 5.5 m -114.06 139.16 23.33 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.617 0.723 . . . . 74.409999999999997 111.173 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 643' ' ' PRO . . . . . 0.59 ' HG3' HG13 ' A' ' 582' ' ' VAL . 54.2 Cg_endo -69.68 128.24 15.82 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.641 2.228 . . . . 71.219999999999999 112.396 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 11.1 tp60 -65.47 -19.61 66.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.182 -0.463 . . . . 75.099999999999994 110.911 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -69.21 -38.07 78.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 72.319999999999993 110.9 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 646' ' ' LEU . . . . . 0.748 ' O ' HG23 ' A' ' 650' ' ' VAL . 59.6 mt -75.27 -53.79 8.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.49 . . . . 64.019999999999996 110.939 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 647' ' ' LEU . . . . . 0.814 HD11 HG21 ' A' ' 642' ' ' VAL . 34.9 mt -52.46 -43.74 65.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 74.329999999999998 110.929 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -61.65 -48.83 79.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 74.230000000000004 110.805 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -60.79 -44.34 96.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 75.349999999999994 110.848 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 650' ' ' VAL . . . . . 1.08 HG21 HD22 ' A' ' 626' ' ' LEU . 62.1 t -54.63 -48.6 71.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 74.430000000000007 111.107 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 651' ' ' LEU . . . . . 0.54 HD22 ' HB1' ' A' ' 630' ' ' ALA . 1.3 mp -71.43 -25.22 62.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 71.209999999999994 110.95 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -66.95 -49.1 66.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.471 . . . . 75.099999999999994 111.137 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 653' ' ' ALA . . . . . 0.451 ' HB2' ' OE2' ' A' ' 593' ' ' GLU . . . -71.06 -49.31 46.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.441 . . . . 55.439999999999998 111.068 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 654' ' ' HIS . . . . . 0.625 ' CD2' HG22 ' A' ' 627' ' ' VAL . 20.5 m-70 -58.23 -31.42 67.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 72.010000000000005 110.903 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -70.96 -46.88 61.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 74.219999999999999 111.096 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 85.7 t80 -67.98 -44.9 75.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.283 -0.417 . . . . 74.200000000000003 110.93 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 657' ' ' TRP . . . . . . . . . . . . . 20.8 m95 -64.13 -43.9 93.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.09 -0.505 . . . . 73.120000000000005 110.873 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 38.4 m -62.79 -31.84 72.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 44.340000000000003 110.813 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 659' ' ' GLN . . . . . . . . . . . . . 18.8 tp60 -57.28 -24.37 54.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 75.140000000000001 110.899 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -136.0 54.43 1.9 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 64.530000000000001 110.918 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -110.01 -74.72 0.64 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 74.439999999999998 110.863 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 662' ' ' GLY . . . . . . . . . . . . . . . 155.6 -39.08 0.61 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.694 -0.765 . . . . 63.439999999999998 112.447 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 2.3 tmtm? 64.01 102.14 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.679 0.276 . . . . 72.150000000000006 110.908 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -52.07 -45.89 64.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 63.329999999999998 110.908 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 665' ' ' HIS . . . . . . . . . . . . . 6.1 m80 -87.72 65.99 8.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 71.5 110.882 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 666' ' ' VAL . . . . . 0.59 ' CG2' HD13 ' A' ' 671' ' ' ILE . 14.2 p -54.59 147.27 3.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 62.210000000000001 111.114 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 667' ' ' GLU . . . . . 0.419 ' O ' HD23 ' A' ' 669' ' ' LEU . 12.8 mt-10 -108.89 160.64 26.62 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.657 0.741 . . . . 72.140000000000001 110.889 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 668' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 78.58 1.01 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.71 2.274 . . . . 73.540000000000006 112.361 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 669' ' ' LEU . . . . . 0.419 HD23 ' O ' ' A' ' 667' ' ' GLU . 2.2 pt? -173.51 -175.15 1.08 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 75.319999999999993 110.851 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 670' ' ' LYS . . . . . . . . . . . . . 15.3 ttpt -67.39 131.58 45.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 65.150000000000006 110.915 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 671' ' ' ILE . . . . . 0.59 HD13 ' CG2' ' A' ' 666' ' ' VAL . 4.4 pt -147.56 -178.12 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 55.450000000000003 111.177 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 30.4 tp -159.91 136.78 9.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.225 -0.443 . . . . 72.010000000000005 110.898 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 673' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -111.84 159.86 17.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 74.25 110.787 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -177.0 177.69 1.24 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.138 -0.483 . . . . 55.149999999999999 111.052 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -170.38 -175.47 1.93 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 72.439999999999998 110.902 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . -124.64 135.76 53.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 64.530000000000001 111.103 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -111.06 172.19 7.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 70.510000000000005 110.938 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 678' ' ' LYS . . . . . . . . . . . . . 37.2 tttt -106.52 114.58 28.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 63.240000000000002 110.915 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 679' ' ' VAL . . . . . . . . . . . . . 12.0 p -151.36 138.05 12.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 74.140000000000001 111.136 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 680' ' ' GLY . . . . . . . . . . . . . . . -135.26 -78.96 0.1 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.707 -0.759 . . . . 54.240000000000002 112.435 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 681' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 120.707 0.289 . . . . 70.120000000000005 111.075 -179.99 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 561' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo . . . . . 0 C--O 1.232 0.194 0 CA-C-O 120.794 0.248 . . . . 64.209999999999994 112.382 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 562' ' ' VAL . . . . . . . . . . . . . 30.6 m -65.43 -25.5 37.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 75.109999999999999 111.103 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 563' ' ' ASN . . . . . . . . . . . . . 18.5 t30 -102.44 72.05 1.24 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 75.519999999999996 110.929 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -102.17 -175.24 2.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.466 . . . . 75.120000000000005 110.939 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 565' ' ' LYS . . . . . . . . . . . . . 33.1 mtpt -126.29 87.31 2.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 74.200000000000003 110.888 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 2.2 t -115.1 106.31 13.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.248 -0.433 . . . . 71.310000000000002 110.866 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 567' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.43 157.02 47.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 65.420000000000002 110.961 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 23.9 ptt180 -154.06 149.51 27.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 62.25 110.843 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 16.4 t -90.87 120.08 31.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 61.329999999999998 110.856 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 17.9 tp10 -119.82 142.87 48.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.081 -0.509 . . . . 74.140000000000001 110.883 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 9.0 mp -113.82 70.67 0.73 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.482 . . . . 71.430000000000007 110.96 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 2.2 m -113.65 162.2 16.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.457 . . . . 72.439999999999998 110.887 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 573' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -114.3 105.97 13.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 73.219999999999999 110.879 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 574' ' ' ARG . . . . . . . . . . . . . 20.7 ttm-85 -127.75 121.07 29.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.193 -0.458 . . . . 74.120000000000005 110.82 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -105.3 53.58 0.72 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 73.430000000000007 110.895 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 576' ' ' ILE . . . . . . . . . . . . . 49.2 mt -124.8 116.43 47.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.483 . . . . 70.430000000000007 111.123 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 29.3 ptt85 -150.69 173.29 14.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 71.239999999999995 110.858 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 578' ' ' ARG . . . . . . . . . . . . . 24.6 mtp85 -114.07 160.1 33.72 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.555 0.693 . . . . 75.200000000000003 110.914 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 134.3 27.68 Favored 'Trans proline' 0 N--CA 1.466 -0.131 0 C-N-CA 122.737 2.291 . . . . 64.349999999999994 112.351 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 580' ' ' PHE . . . . . . . . . . . . . 8.6 p90 -92.65 136.84 32.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 75.340000000000003 110.85 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 581' ' ' SER . . . . . 0.489 ' O ' HG23 ' A' ' 585' ' ' VAL . 50.9 m -102.33 -179.01 3.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.122 -0.49 . . . . 53.439999999999998 110.843 -179.809 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 582' ' ' VAL . . . . . 0.558 HG13 ' HG3' ' A' ' 643' ' ' PRO . 91.1 t -60.64 -42.49 91.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 70.219999999999999 111.136 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -70.01 -31.64 69.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 71.109999999999999 111.138 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 584' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -75.28 -55.23 5.92 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.228 -0.442 . . . . 73.420000000000002 110.926 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 585' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 581' ' ' SER . 98.2 t -54.75 -34.17 29.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 74.430000000000007 111.143 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -51.35 -31.04 20.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 73.400000000000006 110.861 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 587' ' ' ALA . . . . . 0.643 ' HB1' ' HA ' ' A' ' 607' ' ' ALA . . . -70.18 -37.44 75.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 70.239999999999995 111.104 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 588' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.93 -54.73 41.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 75.230000000000004 110.897 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 589' ' ' VAL . . . . . 0.629 ' CG2' HG23 ' A' ' 650' ' ' VAL . 7.7 p -66.41 -43.67 91.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.128 -0.487 . . . . 73.409999999999997 111.207 179.814 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 590' ' ' GLU . . . . . 0.444 ' N ' HG13 ' A' ' 589' ' ' VAL . 54.6 mt-10 -52.47 -47.77 66.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 73.400000000000006 110.869 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 591' ' ' ALA . . . . . 0.59 ' HB1' ' HA ' ' A' ' 603' ' ' VAL . . . -67.03 -34.67 78.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.481 . . . . 73.209999999999994 111.097 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 592' ' ' VAL . . . . . 0.426 HG11 ' NE2' ' A' ' 654' ' ' HIS . 24.1 t -74.21 -26.29 20.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.452 . . . . 70.310000000000002 111.152 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.54 -40.47 63.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.485 . . . . 74.049999999999997 110.918 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -86.01 -47.09 9.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.071 -0.513 . . . . 74.540000000000006 110.872 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 595' ' ' LEU . . . . . 0.47 HD13 ' HB2' ' A' ' 602' ' ' ASP . 17.3 mt -79.29 -23.85 43.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 62.420000000000002 110.862 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 596' ' ' GLY . . . . . 0.406 ' CA ' ' O ' ' A' ' 592' ' ' VAL . . . 87.87 -151.19 22.84 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.748 -0.739 . . . . 42.009999999999998 112.453 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 6.6 p -116.89 29.51 7.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.783 0.325 . . . . 72.530000000000001 111.113 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 598' ' ' GLY . . . . . . . . . . . . . . . -127.71 -4.0 5.82 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.709 -0.758 . . . . 44.43 112.51 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 599' ' ' ARG . . . . . 0.711 ' O ' HG23 ' A' ' 603' ' ' VAL . 32.1 mtt180 -124.3 79.85 1.78 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.807 0.337 . . . . 64.420000000000002 110.876 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 600' ' ' TRP . . . . . . . . . . . . . 15.7 m0 -67.65 -48.54 66.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.205 -0.452 . . . . 72.109999999999999 110.924 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 601' ' ' ARG . . . . . . . . . . . . . 33.5 mmt180 -52.82 -47.93 67.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.441 . . . . 74.540000000000006 110.868 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 602' ' ' ASP . . . . . 0.47 ' HB2' HD13 ' A' ' 595' ' ' LEU . 2.8 m-20 -62.53 -36.34 82.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 72.409999999999997 110.831 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 603' ' ' VAL . . . . . 0.711 HG23 ' O ' ' A' ' 599' ' ' ARG . 55.2 t -62.95 -31.99 54.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 75.25 111.06 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 14.2 ttmm -70.13 -48.85 55.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 64.530000000000001 110.897 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 605' ' ' MET . . . . . . . . . . . . . 6.0 ptm -71.4 -31.22 67.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 72.329999999999998 110.938 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 606' ' ' ARG . . . . . . . . . . . . . 7.0 tpm_? -77.02 -41.1 44.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 71.420000000000002 110.848 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 607' ' ' ALA . . . . . 0.643 ' HA ' ' HB1' ' A' ' 587' ' ' ALA . . . -85.24 -69.23 0.67 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 74.140000000000001 111.062 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 608' ' ' PHE . . . . . . . . . . . . . 72.0 m-85 -70.9 124.91 25.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 73.549999999999997 110.904 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -71.75 -34.24 69.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 64.310000000000002 110.873 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 49.9 p-10 -98.28 39.27 1.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 72.120000000000005 110.907 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 611' ' ' ALA . . . . . . . . . . . . . . . -59.67 -173.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 74.340000000000003 111.094 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 63.29 24.29 14.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 70.319999999999993 110.84 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 613' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 -133.72 -43.88 0.82 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 71.239999999999995 110.854 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 614' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -100.79 156.43 17.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 65.329999999999998 110.909 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 615' ' ' THR . . . . . 0.748 ' HB ' HG12 ' A' ' 617' ' ' VAL . 4.3 m -74.41 158.11 34.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 60.439999999999998 111.176 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 616' ' ' TYR . . . . . . . . . . . . . 27.6 p90 -61.1 -22.01 64.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.445 . . . . 74.099999999999994 110.907 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 617' ' ' VAL . . . . . 0.748 HG12 ' HB ' ' A' ' 615' ' ' THR . 14.7 p -51.34 -33.11 13.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.061 -0.518 . . . . 75.120000000000005 111.1 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 618' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.32 -51.0 67.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 72.420000000000002 110.797 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 619' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -71.49 -25.07 62.11 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.226 -0.443 . . . . 62.420000000000002 110.904 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 620' ' ' LYS . . . . . . . . . . . . . 21.8 tttt -69.37 -38.92 78.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 72.140000000000001 110.892 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -71.57 -44.45 64.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.446 . . . . 73.450000000000003 110.899 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.16 -31.23 71.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 74.530000000000001 110.881 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 623' ' ' TRP . . . . . 0.468 ' O ' HG23 ' A' ' 627' ' ' VAL . 0.8 OUTLIER -71.57 -53.97 12.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 73.510000000000005 110.903 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 9.6 tmtt? -57.32 -48.91 77.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 75.150000000000006 110.89 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 12.3 t -62.07 -30.93 71.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.295 -0.411 . . . . 75.549999999999997 111.169 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 626' ' ' LEU . . . . . 0.406 HD13 HG21 ' A' ' 650' ' ' VAL . 2.6 mt -64.8 -54.74 26.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 74.239999999999995 110.909 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 627' ' ' VAL . . . . . 0.684 ' O ' HD13 ' A' ' 632' ' ' ILE . 3.9 t -57.37 -55.64 19.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 72.200000000000003 111.084 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 628' ' ' HIS . . . . . 0.467 ' HA ' ' HB ' ' A' ' 632' ' ' ILE . 12.1 m80 -52.94 -30.3 33.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 74.420000000000002 110.824 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 629' ' ' THR . . . . . . . . . . . . . 39.9 m -79.44 -29.75 41.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.25 -0.432 . . . . 74.430000000000007 111.129 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 630' ' ' ALA . . . . . 0.65 ' HA ' HD13 ' A' ' 647' ' ' LEU . . . -54.13 -49.87 68.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.267 -0.424 . . . . 71.310000000000002 111.089 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 631' ' ' SER . . . . . 0.618 ' C ' HD12 ' A' ' 632' ' ' ILE . 0.5 OUTLIER 171.02 67.58 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 74.439999999999998 110.829 -179.775 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 632' ' ' ILE . . . . . 0.684 HD13 ' O ' ' A' ' 627' ' ' VAL . 1.7 mp -118.24 -66.13 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 75.540000000000006 111.137 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 633' ' ' ALA . . . . . 0.473 ' N ' HG22 ' A' ' 632' ' ' ILE . . . -101.84 155.87 35.9 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.542 0.687 . . . . 43.049999999999997 111.118 179.8 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 634' ' ' PRO . . . . . 0.434 ' HD2' ' HB1' ' A' ' 633' ' ' ALA . 53.2 Cg_endo -69.87 -40.46 5.13 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.643 2.229 . . . . 55.130000000000003 112.334 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 635' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -64.99 -17.14 64.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 73.340000000000003 110.87 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 636' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 -81.99 -32.37 30.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 61.439999999999998 110.897 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 637' ' ' ARG . . . . . . . . . . . . . 11.1 ttt180 -83.96 150.65 25.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.255 -0.43 . . . . 70.439999999999998 110.858 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 638' ' ' ARG . . . . . . . . . . . . . 4.1 tpp180 63.74 97.73 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 73.150000000000006 110.828 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 639' ' ' GLY . . . . . . . . . . . . . . . 169.55 -131.74 2.35 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.734 -0.746 . . . . 75.400000000000006 112.512 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 640' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -52.1 159.97 1.33 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.728 0.775 . . . . 70.239999999999995 110.817 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 120.41 7.19 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.686 2.258 . . . . 72.239999999999995 112.267 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 642' ' ' VAL . . . . . 0.731 HG21 HD11 ' A' ' 647' ' ' LEU . 2.1 p -134.24 131.46 20.65 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.587 0.708 . . . . 75.439999999999998 111.11 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 643' ' ' PRO . . . . . 0.558 ' HG3' HG13 ' A' ' 582' ' ' VAL . 54.0 Cg_endo -69.73 128.64 16.35 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.657 2.238 . . . . 63.420000000000002 112.366 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -75.65 -19.27 59.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.255 -0.43 . . . . 73.319999999999993 110.893 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -70.7 -38.85 73.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 54.210000000000001 110.861 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 646' ' ' LEU . . . . . . . . . . . . . 13.3 mt -75.51 -46.05 34.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 72.530000000000001 110.903 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 647' ' ' LEU . . . . . 0.731 HD11 HG21 ' A' ' 642' ' ' VAL . 39.4 mt -60.12 -52.1 66.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 74.549999999999997 110.912 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -56.4 -48.7 76.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 50.530000000000001 110.879 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 36.7 mmm-85 -65.24 -28.41 69.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 72.310000000000002 110.872 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 650' ' ' VAL . . . . . 0.629 HG23 ' CG2' ' A' ' 589' ' ' VAL . 0.9 OUTLIER -69.92 -47.01 71.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 74.099999999999994 111.108 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 651' ' ' LEU . . . . . 0.429 ' O ' ' HB2' ' A' ' 655' ' ' ALA . 27.5 mt -72.82 -25.75 61.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.173 -0.467 . . . . 52.329999999999998 110.885 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -67.12 -52.56 40.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 73.319999999999993 111.095 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -68.56 -53.06 25.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 64.5 111.1 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 654' ' ' HIS . . . . . 0.528 ' CE1' HG22 ' A' ' 627' ' ' VAL . 64.0 m170 -54.52 -30.62 54.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 75.540000000000006 110.839 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 655' ' ' ALA . . . . . 0.429 ' HB2' ' O ' ' A' ' 651' ' ' LEU . . . -69.79 -46.99 64.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.259 -0.428 . . . . 74.109999999999999 111.173 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 66.8 t80 -69.16 -48.98 60.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 73.329999999999998 110.963 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 657' ' ' TRP . . . . . . . . . . . . . 21.8 m95 -58.62 -41.23 85.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 74.239999999999995 110.896 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 19.9 t -71.25 -30.66 66.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.436 . . . . 64.140000000000001 110.812 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 659' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -57.06 -26.37 60.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 53.32 110.903 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 10.0 mm-40 -80.52 -25.95 38.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.459 . . . . 65.519999999999996 110.901 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 57.9 mt-30 -77.69 172.78 12.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 73.329999999999998 110.885 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 662' ' ' GLY . . . . . . . . . . . . . . . -113.27 62.61 0.31 Allowed Glycine 0 C--N 1.331 0.258 0 C-N-CA 120.647 -0.787 . . . . 54.539999999999999 112.416 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 2.5 mppt? -137.88 159.21 42.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.752 0.31 . . . . 75.040000000000006 110.923 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -151.44 144.54 24.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 73.540000000000006 110.924 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 665' ' ' HIS . . . . . . . . . . . . . 54.1 t60 -141.98 146.77 35.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 73.299999999999997 110.835 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 666' ' ' VAL . . . . . . . . . . . . . 18.3 m -121.38 134.56 64.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.459 . . . . 64.409999999999997 111.1 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -136.02 157.55 75.59 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.659 0.742 . . . . 63.420000000000002 110.917 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 668' ' ' PRO . . . . . 0.609 ' C ' HD13 ' A' ' 669' ' ' LEU . 53.2 Cg_endo -69.79 164.23 35.34 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.699 2.266 . . . . 74.019999999999996 112.348 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 669' ' ' LEU . . . . . 0.609 HD13 ' C ' ' A' ' 668' ' ' PRO . 0.0 OUTLIER -156.4 170.72 21.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 55.43 110.864 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 670' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.14 138.07 12.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 74.140000000000001 110.964 179.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 671' ' ' ILE . . . . . . . . . . . . . 7.9 tt -54.44 126.36 11.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.271 -0.422 . . . . 74.450000000000003 111.158 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 17.1 mt -133.14 155.71 48.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.458 . . . . 75.200000000000003 110.958 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 673' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -58.48 143.43 45.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 72.120000000000005 110.885 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -123.75 147.1 47.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 71.109999999999999 111.116 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -172.91 137.2 0.72 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.454 . . . . 62.32 110.872 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . -130.43 160.36 34.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 72.0 111.141 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 47.1 tt0 -111.41 110.84 21.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.447 . . . . 63.32 110.923 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 678' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -82.3 90.27 6.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.249 -0.432 . . . . 75.209999999999994 110.819 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 679' ' ' VAL . . . . . . . . . . . . . 28.3 t -68.43 144.75 14.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 54.0 111.123 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 680' ' ' GLY . . . . . . . . . . . . . . . -98.07 -143.04 14.05 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.749 -0.738 . . . . 75.329999999999998 112.503 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 681' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-O 120.734 0.302 . . . . 54.439999999999998 111.08 -179.989 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 561' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.892 0.288 . . . . 62.420000000000002 112.363 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 562' ' ' VAL . . . . . . . . . . . . . 43.1 t -101.38 -56.6 5.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 64.450000000000003 111.14 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 563' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -95.71 175.16 6.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 73.099999999999994 110.918 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 82.4 mm-40 -126.43 -71.48 0.69 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 74.340000000000003 110.948 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 565' ' ' LYS . . . . . . . . . . . . . 4.7 mtmp? -65.38 110.42 2.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 62.25 110.938 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -126.87 136.73 52.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.049 0.452 . . . . 74.230000000000004 110.821 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 567' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -54.56 172.45 0.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 73.420000000000002 110.933 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 13.1 ptt85 -152.53 131.37 12.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.251 -0.431 . . . . 73.299999999999997 110.778 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 3.5 p -116.99 151.55 36.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 74.420000000000002 110.863 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -93.19 147.63 22.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 64.439999999999998 110.978 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -171.79 159.3 5.2 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.2 -0.455 . . . . 73.239999999999995 110.923 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 10.9 t -120.45 140.31 51.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 73.349999999999994 110.895 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 573' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -150.51 -178.38 6.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 62.140000000000001 110.961 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 574' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.34 130.27 52.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 74.010000000000005 110.842 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.35 139.3 0.44 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 72.200000000000003 110.828 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 576' ' ' ILE . . . . . . . . . . . . . 7.8 tp -57.95 146.48 7.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 53.009999999999998 111.103 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -122.27 157.98 30.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 61.200000000000003 110.884 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 578' ' ' ARG . . . . . . . . . . . . . 16.7 mmm180 -72.86 158.86 86.6 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.581 0.705 . . . . 72.319999999999993 110.88 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.68 134.65 28.69 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.747 2.298 . . . . 73.510000000000005 112.318 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 580' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -86.45 123.84 32.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 71.310000000000002 110.881 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 581' ' ' SER . . . . . 0.744 ' O ' HG12 ' A' ' 585' ' ' VAL . 1.2 m -76.02 158.1 32.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 73.140000000000001 110.889 -179.809 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 582' ' ' VAL . . . . . 0.49 HG13 ' HG3' ' A' ' 643' ' ' PRO . 84.8 t -52.94 -37.77 26.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.48 . . . . 71.109999999999999 111.132 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -71.99 -33.7 68.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 64.409999999999997 111.125 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 584' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -74.78 -56.08 5.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 75.129999999999995 110.887 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 585' ' ' VAL . . . . . 0.744 HG12 ' O ' ' A' ' 581' ' ' SER . 2.6 p -54.2 -32.49 23.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 43.340000000000003 111.16 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -49.94 -30.36 10.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.483 . . . . 71.0 110.902 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 587' ' ' ALA . . . . . 0.573 ' HB1' ' HA ' ' A' ' 607' ' ' ALA . . . -76.45 -40.64 49.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 71.230000000000004 111.117 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 588' ' ' LEU . . . . . 0.482 ' O ' HD13 ' A' ' 588' ' ' LEU . 1.6 tm? -56.5 -50.66 71.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 74.319999999999993 110.896 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 589' ' ' VAL . . . . . 0.766 HG21 ' HB3' ' A' ' 646' ' ' LEU . 18.5 t -63.72 -56.72 15.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.473 . . . . 71.540000000000006 111.121 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -55.16 -27.7 47.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 75.299999999999997 110.815 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 591' ' ' ALA . . . . . 0.413 ' HB2' ' HG3' ' A' ' 606' ' ' ARG . . . -75.21 -45.91 37.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 53.310000000000002 111.045 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 592' ' ' VAL . . . . . . . . . . . . . 10.7 p -74.72 -25.92 19.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 51.119999999999997 111.169 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 593' ' ' GLU . . . . . 0.652 ' OE2' ' HB2' ' A' ' 653' ' ' ALA . 0.6 OUTLIER -72.8 -42.17 64.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.124 -0.489 . . . . 72.430000000000007 110.904 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 51.0 t-80 -84.25 -46.6 11.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 73.049999999999997 110.913 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 595' ' ' LEU . . . . . 0.67 HD11 ' CB ' ' A' ' 606' ' ' ARG . 11.0 mt -79.52 -16.06 56.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.207 -0.451 . . . . 53.149999999999999 110.875 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 596' ' ' GLY . . . . . . . . . . . . . . . 83.29 167.14 41.07 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.709 -0.758 . . . . 74.540000000000006 112.501 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 2.0 p -77.9 -2.25 35.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.843 0.354 . . . . 73.209999999999994 111.124 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 598' ' ' GLY . . . . . . . . . . . . . . . -104.23 17.4 47.83 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.771 -0.728 . . . . 52.210000000000001 112.483 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 599' ' ' ARG . . . . . 0.679 ' O ' HG23 ' A' ' 603' ' ' VAL . 90.3 mtt180 -135.18 66.32 1.53 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.796 0.332 . . . . 64.120000000000005 110.904 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 600' ' ' TRP . . . . . . . . . . . . . 12.3 m0 -60.02 -50.51 73.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 64.120000000000005 110.932 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 601' ' ' ARG . . . . . . . . . . . . . 56.7 mtm180 -52.95 -47.36 68.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 64.109999999999999 110.875 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 602' ' ' ASP . . . . . 0.582 ' C ' HD13 ' A' ' 595' ' ' LEU . 1.8 m-20 -64.03 -34.41 77.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 74.239999999999995 110.812 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 603' ' ' VAL . . . . . 0.679 HG23 ' O ' ' A' ' 599' ' ' ARG . 57.3 t -65.69 -32.62 59.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.277 -0.42 . . . . 71.140000000000001 111.118 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 15.6 ttpp -68.92 -48.64 62.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 74.439999999999998 110.865 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 605' ' ' MET . . . . . . . . . . . . . 25.8 ptm -73.11 -31.37 64.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 64.340000000000003 110.905 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 606' ' ' ARG . . . . . 0.67 ' CB ' HD11 ' A' ' 595' ' ' LEU . 17.6 tpp180 -73.24 -40.69 64.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.226 -0.443 . . . . 74.420000000000002 110.909 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 607' ' ' ALA . . . . . 0.573 ' HA ' ' HB1' ' A' ' 587' ' ' ALA . . . -89.97 -69.59 0.71 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 23.109999999999999 111.091 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 608' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -70.88 125.16 26.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 71.530000000000001 110.868 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -71.47 -34.13 69.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 73.340000000000003 110.911 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -100.41 55.74 0.9 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.24 -0.437 . . . . 71.230000000000004 110.871 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 611' ' ' ALA . . . . . . . . . . . . . . . -86.43 52.04 2.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 73.409999999999997 111.08 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -97.0 -67.89 0.83 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 74.049999999999997 110.874 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 613' ' ' HIS . . . . . . . . . . . . . 46.8 m-70 -103.43 24.36 11.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 74.150000000000006 110.847 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 614' ' ' ARG . . . . . . . . . . . . . 8.7 mmt180 -89.11 156.32 18.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 63.100000000000001 110.878 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 615' ' ' THR . . . . . 0.683 ' OG1' HG12 ' A' ' 617' ' ' VAL . 4.1 t -89.24 159.83 17.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 72.409999999999997 111.172 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 616' ' ' TYR . . . . . . . . . . . . . 11.4 p90 -86.96 -19.11 29.24 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.217 -0.447 . . . . 64.25 110.961 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 617' ' ' VAL . . . . . 0.683 HG12 ' OG1' ' A' ' 615' ' ' THR . 14.9 p -71.56 -33.11 48.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 54.030000000000001 111.111 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 618' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -54.86 -51.02 67.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 75.129999999999995 110.88 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 619' ' ' LEU . . . . . 0.621 HD13 ' CG1' ' A' ' 603' ' ' VAL . 1.5 pp -71.87 -32.45 67.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 74.239999999999995 110.925 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 620' ' ' LYS . . . . . . . . . . . . . 4.9 tmtt? -63.7 -38.85 92.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 75.049999999999997 110.92 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -71.78 -41.16 68.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 53.219999999999999 110.847 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 9.2 mmtm -55.28 -41.43 72.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 73.510000000000005 110.891 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 623' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -68.73 -50.64 49.06 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.246 -0.434 . . . . 71.530000000000001 110.961 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -51.71 -54.89 23.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 75.209999999999994 110.926 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 15.2 t -61.16 -30.67 70.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.255 -0.43 . . . . 64.519999999999996 111.121 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 626' ' ' LEU . . . . . 0.698 HD23 HD23 ' A' ' 647' ' ' LEU . 0.2 OUTLIER -61.53 -49.9 74.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 72.099999999999994 110.954 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 627' ' ' VAL . . . . . 0.593 HG22 HG13 ' A' ' 650' ' ' VAL . 91.1 t -58.1 -54.64 29.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 74.140000000000001 111.164 179.795 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 628' ' ' HIS . . . . . 0.435 ' HA ' HD13 ' A' ' 632' ' ' ILE . 0.0 OUTLIER -53.61 -27.31 26.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 73.400000000000006 110.868 179.931 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 629' ' ' THR . . . . . 0.841 HG21 HG21 ' A' ' 642' ' ' VAL . 48.7 m -78.21 -28.83 48.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 61.219999999999999 111.119 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 630' ' ' ALA . . . . . 0.703 ' HA ' HD13 ' A' ' 647' ' ' LEU . . . -53.17 -50.77 63.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 72.140000000000001 111.09 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 631' ' ' SER . . . . . 0.454 ' C ' HD12 ' A' ' 632' ' ' ILE . 0.4 OUTLIER 167.73 67.19 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 52.439999999999998 110.856 -179.763 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 632' ' ' ILE . . . . . 0.557 HD13 ' O ' ' A' ' 627' ' ' VAL . 1.7 mp -110.59 -66.54 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 64.340000000000003 111.104 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 633' ' ' ALA . . . . . 0.596 ' HB3' ' CG ' ' A' ' 636' ' ' GLN . . . -103.45 138.7 19.61 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.574 0.702 . . . . 75.219999999999999 111.059 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 634' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -41.79 4.03 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.728 2.286 . . . . 73.409999999999997 112.287 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 635' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -76.17 -11.93 60.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 73.430000000000007 110.903 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 636' ' ' GLN . . . . . 0.596 ' CG ' ' HB3' ' A' ' 633' ' ' ALA . 18.4 mm-40 -78.88 -25.26 43.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 71.310000000000002 110.966 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 637' ' ' ARG . . . . . . . . . . . . . 52.6 ttt180 -84.66 113.7 21.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 61.299999999999997 110.882 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 638' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.29 -31.87 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 74.209999999999994 110.881 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 639' ' ' GLY . . . . . . . . . . . . . . . -59.56 -166.94 0.21 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.685 -0.769 . . . . 51.109999999999999 112.571 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 640' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -48.58 160.2 0.48 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.65 0.738 . . . . 74.140000000000001 110.871 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 121.95 8.63 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.643 2.229 . . . . 71.430000000000007 112.382 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 642' ' ' VAL . . . . . 0.841 HG21 HG21 ' A' ' 629' ' ' THR . 15.0 t -104.42 133.92 19.95 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.673 0.749 . . . . 71.140000000000001 111.138 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 643' ' ' PRO . . . . . 0.49 ' HG3' HG13 ' A' ' 582' ' ' VAL . 53.0 Cg_endo -69.85 128.4 15.89 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.643 2.229 . . . . 63.030000000000001 112.261 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 66.2 tt0 -65.27 -17.38 64.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 71.230000000000004 110.986 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -68.05 -47.55 68.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 70.530000000000001 110.814 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 646' ' ' LEU . . . . . 0.766 ' HB3' HG21 ' A' ' 589' ' ' VAL . 18.5 mt -74.69 -33.45 62.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 62.149999999999999 110.902 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 647' ' ' LEU . . . . . 0.703 HD13 ' HA ' ' A' ' 630' ' ' ALA . 94.5 mt -72.5 -52.13 17.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 64.530000000000001 110.927 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -61.25 -30.59 70.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 64.540000000000006 110.882 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 12.2 mtt-85 -72.42 -45.25 60.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 54.539999999999999 110.897 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 650' ' ' VAL . . . . . 0.593 HG13 HG22 ' A' ' 627' ' ' VAL . 0.3 OUTLIER -61.81 -32.5 54.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 71.319999999999993 111.094 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -71.31 -42.83 68.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 71.209999999999994 110.949 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -54.44 -47.78 72.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 71.439999999999998 111.148 179.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 653' ' ' ALA . . . . . 0.652 ' HB2' ' OE2' ' A' ' 593' ' ' GLU . . . -75.92 -42.57 48.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 50.340000000000003 111.048 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 654' ' ' HIS . . . . . . . . . . . . . 16.2 t-80 -54.52 -45.47 73.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.428 . . . . 64.239999999999995 110.852 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -77.36 -46.06 24.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.215 -0.448 . . . . 71.519999999999996 111.104 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -54.48 -49.98 68.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.13 -0.486 . . . . 75.299999999999997 110.932 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 657' ' ' TRP . . . . . . . . . . . . . 68.7 m95 -70.72 -33.02 70.41 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.112 -0.495 . . . . 74.450000000000003 110.923 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 27.3 t -64.28 -32.15 73.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 63.229999999999997 110.835 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 659' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -57.78 -24.45 57.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.102 -0.499 . . . . 63.420000000000002 110.878 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 6.5 tp60 61.89 56.71 2.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 53.140000000000001 110.935 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -51.79 -32.45 31.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 72.439999999999998 110.911 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 662' ' ' GLY . . . . . . . . . . . . . . . 161.41 90.53 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.667 -0.777 . . . . 73.430000000000007 112.452 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.52 -67.75 0.6 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.703 0.287 . . . . 53.520000000000003 110.897 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 9.1 tm0? -174.16 161.68 3.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 62.109999999999999 110.916 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 665' ' ' HIS . . . . . . . . . . . . . 22.9 m-70 -67.47 125.53 26.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 74.140000000000001 110.883 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 666' ' ' VAL . . . . . . . . . . . . . 43.3 t -144.14 147.09 19.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 70.409999999999997 111.132 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.59 157.58 49.38 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.625 0.726 . . . . 74.420000000000002 110.875 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 668' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 139.17 39.47 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.661 2.241 . . . . 63.200000000000003 112.364 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 669' ' ' LEU . . . . . . . . . . . . . 21.1 tp -153.37 128.63 9.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 65.129999999999995 110.956 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 670' ' ' LYS . . . . . 0.433 ' O ' HD13 ' A' ' 671' ' ' ILE . 23.0 tptt -112.17 154.13 25.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 75.400000000000006 110.884 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 671' ' ' ILE . . . . . 0.433 HD13 ' O ' ' A' ' 670' ' ' LYS . 48.4 mm -134.42 141.32 43.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 63.43 111.158 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -86.51 148.54 25.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 71.319999999999993 110.901 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 673' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -149.15 171.0 17.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 64.150000000000006 110.811 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -141.44 127.5 19.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 74.310000000000002 111.088 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 2.1 mmmp? -126.24 166.21 17.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 71.120000000000005 110.872 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . -150.94 147.64 27.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 73.310000000000002 111.051 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -173.76 150.26 1.68 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 75.219999999999999 110.942 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 678' ' ' LYS . . . . . . . . . . . . . 22.0 ttpp -71.28 144.53 49.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 65.129999999999995 110.95 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 679' ' ' VAL . . . . . . . . . . . . . 35.4 m -119.81 175.53 4.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 72.239999999999995 111.114 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 680' ' ' GLY . . . . . . . . . . . . . . . 79.25 82.92 0.67 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.7 -0.762 . . . . 75.329999999999998 112.456 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 681' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.344 0 CA-C-O 120.769 0.319 . . . . 64.430000000000007 111.088 179.982 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 561' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.232 0.194 0 CA-C-O 120.829 0.262 . . . . 53.340000000000003 112.299 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 562' ' ' VAL . . . . . . . . . . . . . 23.5 t -132.78 100.1 3.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.277 -0.419 . . . . 74.329999999999998 111.087 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 563' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -139.69 170.8 15.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 74.420000000000002 110.883 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 4.4 pp0? -125.57 -178.88 4.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 61.149999999999999 110.939 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 565' ' ' LYS . . . . . . . . . . . . . 76.3 mttt -140.4 140.16 35.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.461 . . . . 74.299999999999997 110.939 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 8.7 m -96.97 144.21 27.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.278 -0.419 . . . . 74.209999999999994 110.825 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 567' ' ' LYS . . . . . . . . . . . . . 47.6 mttt -130.65 177.69 7.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.098 -0.501 . . . . 71.230000000000004 110.89 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.76 -178.62 5.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 64.129999999999995 110.888 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 29.5 m -87.3 144.03 26.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 62.109999999999999 110.797 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -120.09 179.14 4.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.11 -0.495 . . . . 70.420000000000002 110.838 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 571' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -155.33 120.85 4.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 71.120000000000005 110.895 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 56.7 p -150.7 153.16 35.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 53.200000000000003 110.886 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 573' ' ' GLN . . . . . . . . . . . . . 83.6 mm-40 -127.8 73.49 1.46 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.156 -0.474 . . . . 73.519999999999996 110.946 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 574' ' ' ARG . . . . . 0.439 ' N ' HG21 ' A' ' 617' ' ' VAL . 15.6 mmm180 -121.65 69.42 0.92 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 73.230000000000004 110.857 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 575' ' ' ARG . . . . . 0.407 ' HA ' HG22 ' A' ' 617' ' ' VAL . 22.2 ptt180 -52.22 142.67 16.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 63.299999999999997 110.892 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 576' ' ' ILE . . . . . . . . . . . . . 31.6 mt -129.88 146.35 34.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 61.240000000000002 111.102 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 25.8 mmm180 -107.39 113.24 26.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 70.140000000000001 110.843 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 578' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.98 157.96 51.41 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.563 0.697 . . . . 73.019999999999996 110.93 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 86.61 0.57 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.667 2.245 . . . . 73.140000000000001 112.383 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 580' ' ' PHE . . . . . . . . . . . . . 11.5 p90 -92.75 136.61 33.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 73.540000000000006 110.886 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 1.2 m -103.93 169.83 8.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.081 -0.508 . . . . 55.520000000000003 110.897 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 582' ' ' VAL . . . . . 0.762 HG13 ' HG3' ' A' ' 643' ' ' PRO . 96.7 t -51.49 -41.22 26.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 73.329999999999998 111.184 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -70.49 -31.47 68.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 75.0 111.1 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 584' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -74.92 -55.65 5.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.256 -0.429 . . . . 63.119999999999997 110.878 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 585' ' ' VAL . . . . . . . . . . . . . 92.0 t -54.85 -34.12 29.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 65.519999999999996 111.102 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -51.21 -31.45 20.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 53.43 110.888 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 587' ' ' ALA . . . . . . . . . . . . . . . -69.1 -44.89 71.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.488 . . . . 61.420000000000002 111.117 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 588' ' ' LEU . . . . . 0.483 ' O ' HG23 ' A' ' 592' ' ' VAL . 0.1 OUTLIER -53.37 -51.22 63.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 72.219999999999999 110.927 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 589' ' ' VAL . . . . . 0.454 HG13 ' N ' ' A' ' 590' ' ' GLU . 7.4 p -71.37 -43.66 73.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 75.120000000000005 111.105 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 590' ' ' GLU . . . . . 0.454 ' N ' HG13 ' A' ' 589' ' ' VAL . 50.1 mt-10 -52.76 -47.82 67.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 73.420000000000002 110.919 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 591' ' ' ALA . . . . . 0.599 ' HB3' HG13 ' A' ' 603' ' ' VAL . . . -68.84 -33.71 74.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 65.5 111.124 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 592' ' ' VAL . . . . . 0.58 HG11 ' NE2' ' A' ' 654' ' ' HIS . 40.6 t -74.77 -26.06 19.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 72.040000000000006 111.146 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.5 -40.04 64.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 65.420000000000002 110.899 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 63.1 m170 -85.93 -46.89 10.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.441 . . . . 71.299999999999997 110.922 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 595' ' ' LEU . . . . . 0.573 HD22 ' HB3' ' A' ' 602' ' ' ASP . 9.6 mt -79.76 -24.02 41.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 74.329999999999998 110.937 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 596' ' ' GLY . . . . . 0.409 ' CA ' ' O ' ' A' ' 592' ' ' VAL . . . 89.55 -177.43 43.74 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.722 -0.751 . . . . 61.399999999999999 112.529 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -92.82 21.0 5.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.854 0.359 . . . . 73.219999999999999 111.205 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 598' ' ' GLY . . . . . . . . . . . . . . . -125.87 11.87 7.35 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.761 -0.733 . . . . 32.210000000000001 112.52 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 599' ' ' ARG . . . . . 0.727 ' O ' HG23 ' A' ' 603' ' ' VAL . 46.9 mtt-85 -135.21 70.41 1.44 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.827 0.346 . . . . 75.219999999999999 110.926 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 600' ' ' TRP . . . . . . . . . . . . . 5.2 m0 -63.14 -49.32 74.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 75.409999999999997 110.92 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 601' ' ' ARG . . . . . . . . . . . . . 34.7 mtt-85 -52.78 -40.03 62.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 73.140000000000001 110.908 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 602' ' ' ASP . . . . . 0.573 ' HB3' HD22 ' A' ' 595' ' ' LEU . 2.0 m-20 -72.12 -31.55 66.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 75.450000000000003 110.884 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 603' ' ' VAL . . . . . 0.727 HG23 ' O ' ' A' ' 599' ' ' ARG . 75.0 t -64.34 -38.66 83.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 75.319999999999993 111.106 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 37.9 tttp -72.09 -42.69 65.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 73.319999999999993 110.915 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 605' ' ' MET . . . . . 0.45 ' HA ' ' HB3' ' A' ' 611' ' ' ALA . 23.4 mtp -70.97 -31.58 68.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 74.209999999999994 110.843 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 606' ' ' ARG . . . . . . . . . . . . . 13.1 ttm-85 -81.54 -40.34 23.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 61.219999999999999 110.897 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -84.56 -70.26 0.59 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 43.439999999999998 111.042 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 608' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -71.12 125.43 26.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.277 -0.419 . . . . 74.420000000000002 110.836 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -69.49 -34.16 73.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.107 -0.497 . . . . 63.149999999999999 110.881 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -91.48 68.06 5.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 63.130000000000003 110.873 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 611' ' ' ALA . . . . . 0.45 ' HB3' ' HA ' ' A' ' 605' ' ' MET . . . -134.85 97.43 3.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 71.140000000000001 111.085 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -123.85 -50.84 1.82 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 75.219999999999999 110.884 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 613' ' ' HIS . . . . . . . . . . . . . 10.8 t60 -135.78 25.99 3.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 74.450000000000003 110.847 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 614' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -94.09 155.94 16.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 73.510000000000005 110.843 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 615' ' ' THR . . . . . 0.796 HG23 HG12 ' A' ' 617' ' ' VAL . 4.7 t -74.93 161.64 29.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.167 -0.47 . . . . 64.299999999999997 111.166 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 616' ' ' TYR . . . . . 0.444 ' HB2' HD21 ' A' ' 619' ' ' LEU . 21.0 p90 -98.65 23.75 8.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 74.430000000000007 110.996 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 617' ' ' VAL . . . . . 0.796 HG12 HG23 ' A' ' 615' ' ' THR . 14.5 p -71.67 -33.63 49.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.107 -0.497 . . . . 72.329999999999998 111.102 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 618' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.02 -51.08 69.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 75.310000000000002 110.845 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 619' ' ' LEU . . . . . 0.444 HD21 ' HB2' ' A' ' 616' ' ' TYR . 1.3 pp -68.88 -23.29 64.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.174 -0.466 . . . . 62.539999999999999 110.895 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 620' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.11 -39.52 82.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.452 . . . . 72.510000000000005 110.935 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -71.55 -49.75 37.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 74.299999999999997 110.911 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 1.4 tppp? -58.93 -27.78 65.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 71.439999999999998 110.936 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 623' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -74.32 -54.45 7.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 61.32 110.928 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.09 -40.67 46.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.258 -0.428 . . . . 74.019999999999996 110.877 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 9.4 t -75.71 -37.66 59.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 73.230000000000004 111.119 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 626' ' ' LEU . . . . . . . . . . . . . 1.6 mt -56.53 -55.97 27.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.43 . . . . 61.399999999999999 110.916 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 627' ' ' VAL . . . . . 0.692 ' O ' HD13 ' A' ' 632' ' ' ILE . 14.2 t -60.81 -55.69 22.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 73.219999999999999 111.114 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 628' ' ' HIS . . . . . 0.457 ' HA ' ' HB ' ' A' ' 632' ' ' ILE . 1.2 m80 -54.07 -28.69 40.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 73.310000000000002 110.831 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 629' ' ' THR . . . . . 0.493 HG21 HG21 ' A' ' 642' ' ' VAL . 21.5 m -79.8 -29.27 40.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 72.230000000000004 111.14 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 630' ' ' ALA . . . . . 0.638 ' HA ' HD13 ' A' ' 647' ' ' LEU . . . -52.85 -49.82 64.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 62.409999999999997 111.074 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 631' ' ' SER . . . . . 0.7 ' C ' HD12 ' A' ' 632' ' ' ILE . 0.4 OUTLIER 168.26 66.85 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 63.329999999999998 110.779 -179.809 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 632' ' ' ILE . . . . . 0.7 HD12 ' C ' ' A' ' 631' ' ' SER . 2.4 mp -128.84 -74.51 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.096 -0.502 . . . . 60.520000000000003 111.169 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 633' ' ' ALA . . . . . 0.704 ' HB3' ' HB2' ' A' ' 636' ' ' GLN . . . -102.91 145.11 29.97 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.617 0.722 . . . . 64.319999999999993 111.05 179.823 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 634' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.71 -48.31 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.683 2.255 . . . . 61.229999999999997 112.367 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 635' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -73.92 -14.16 61.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 74.349999999999994 110.864 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 636' ' ' GLN . . . . . 0.704 ' HB2' ' HB3' ' A' ' 633' ' ' ALA . 11.2 mm100 -81.27 -0.17 39.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 71.409999999999997 110.875 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 637' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.93 114.41 13.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 64.329999999999998 110.925 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 638' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -54.58 136.04 45.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 61.140000000000001 110.814 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 639' ' ' GLY . . . . . . . . . . . . . . . -51.94 -62.08 5.94 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.702 -0.761 . . . . 51.539999999999999 112.537 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 640' ' ' GLU . . . . . . . . . . . . . 11.0 mp0 -57.43 160.76 6.66 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.641 0.734 . . . . 63.539999999999999 110.873 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.63 121.31 8.03 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.758 2.305 . . . . 72.140000000000001 112.375 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 642' ' ' VAL . . . . . 0.493 HG21 HG21 ' A' ' 629' ' ' THR . 4.8 t -101.83 132.55 21.52 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.64 0.733 . . . . 53.200000000000003 111.137 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 643' ' ' PRO . . . . . 0.762 ' HG3' HG13 ' A' ' 582' ' ' VAL . 53.5 Cg_endo -69.78 128.51 16.11 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.652 2.235 . . . . 74.049999999999997 112.324 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -64.54 -23.04 67.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 73.120000000000005 110.933 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -59.29 -45.88 90.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 74.540000000000006 110.907 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 646' ' ' LEU . . . . . . . . . . . . . 28.5 mt -73.26 -53.09 11.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 61.539999999999999 110.881 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 647' ' ' LEU . . . . . 0.638 HD13 ' HA ' ' A' ' 630' ' ' ALA . 42.3 mt -53.22 -52.23 59.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.141 -0.481 . . . . 72.209999999999994 110.893 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 38.7 t0 -56.45 -40.86 75.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 64.230000000000004 110.944 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -67.37 -36.12 80.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.107 -0.497 . . . . 74.209999999999994 110.913 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 650' ' ' VAL . . . . . 0.689 HG13 ' CE1' ' A' ' 654' ' ' HIS . 25.1 t -64.89 -55.03 22.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 73.109999999999999 111.147 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 651' ' ' LEU . . . . . 0.45 ' CD1' ' HB1' ' A' ' 630' ' ' ALA . 30.8 mt -62.79 -24.3 67.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 75.340000000000003 110.944 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -68.75 -52.66 28.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 72.230000000000004 111.017 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -76.22 -50.4 14.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 34.219999999999999 111.092 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 654' ' ' HIS . . . . . 0.689 ' CE1' HG13 ' A' ' 650' ' ' VAL . 11.8 m170 -52.64 -31.32 36.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.435 . . . . 72.209999999999994 110.879 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -76.01 -46.86 27.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 73.109999999999999 111.056 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 93.8 t80 -64.86 -38.13 89.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 74.510000000000005 110.932 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 657' ' ' TRP . . . . . . . . . . . . . 19.5 m95 -70.11 -39.29 75.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.128 -0.487 . . . . 71.340000000000003 110.938 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 2.0 t -57.02 -50.62 72.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.2 -0.454 . . . . 73.200000000000003 110.885 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 659' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -64.57 -23.13 67.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.15 -0.477 . . . . 73.439999999999998 110.946 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -126.78 53.35 1.69 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.144 -0.48 . . . . 74.510000000000005 110.877 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 61.0 tp60 -106.9 -74.91 0.64 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.268 -0.424 . . . . 74.219999999999999 110.985 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 662' ' ' GLY . . . . . . . . . . . . . . . 158.08 -27.25 0.44 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.764 -0.731 . . . . 73.420000000000002 112.498 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 15.0 pttt -53.64 172.24 0.07 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.731 0.3 . . . . 64.109999999999999 110.859 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -65.25 105.65 1.16 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.259 -0.428 . . . . 65.099999999999994 110.876 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 665' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -176.38 173.51 2.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.482 . . . . 72.510000000000005 110.912 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 666' ' ' VAL . . . . . . . . . . . . . 91.1 t -72.01 91.84 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 64.230000000000004 111.112 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -136.04 157.51 75.67 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.591 0.71 . . . . 63.210000000000001 110.928 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 668' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.67 -171.01 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.687 2.258 . . . . 74.0 112.384 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 669' ' ' LEU . . . . . 0.551 HD23 ' H ' ' A' ' 669' ' ' LEU . 1.2 pt? -110.12 153.48 24.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 74.310000000000002 110.939 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 670' ' ' LYS . . . . . . . . . . . . . 58.2 tttt -101.24 132.45 46.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.273 -0.422 . . . . 72.129999999999995 110.878 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 671' ' ' ILE . . . . . 0.622 ' C ' HD13 ' A' ' 672' ' ' LEU . 32.3 mm -98.51 145.56 9.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 72.450000000000003 111.099 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 672' ' ' LEU . . . . . 0.622 HD13 ' C ' ' A' ' 671' ' ' ILE . 0.0 OUTLIER -156.41 177.23 11.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.117 -0.492 . . . . 73.349999999999994 110.982 179.932 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 673' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -147.0 145.6 29.78 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.206 -0.452 . . . . 71.230000000000004 110.856 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -115.11 173.16 6.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 71.420000000000002 111.077 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -119.22 77.84 1.24 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.448 . . . . 62.119999999999997 110.929 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . -98.52 132.68 43.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 74.430000000000007 110.998 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.36 178.13 7.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 74.349999999999994 110.925 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 678' ' ' LYS . . . . . . . . . . . . . 1.5 tmtm? -113.81 132.26 55.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 72.299999999999997 110.869 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 679' ' ' VAL . . . . . . . . . . . . . 44.1 t -61.5 100.83 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 73.140000000000001 111.107 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 680' ' ' GLY . . . . . . . . . . . . . . . -111.81 140.41 16.14 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.744 -0.741 . . . . 72.209999999999994 112.428 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 681' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-O 120.777 0.322 . . . . 62.020000000000003 111.065 179.991 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 561' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 N--CA 1.465 -0.153 0 CA-C-O 120.838 0.266 . . . . 72.430000000000007 112.355 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 562' ' ' VAL . . . . . . . . . . . . . 64.2 t -105.56 83.48 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 64.430000000000007 111.145 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 563' ' ' ASN . . . . . . . . . . . . . 15.6 p-10 -85.36 151.54 23.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 73.310000000000002 110.873 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -157.21 107.55 2.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 53.340000000000003 110.904 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 565' ' ' LYS . . . . . . . . . . . . . 43.2 pttt -136.92 111.39 8.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 62.219999999999999 110.916 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 1.3 p -124.1 129.01 50.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 60.200000000000003 110.86 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 567' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.03 110.38 16.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 70.230000000000004 110.911 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 568' ' ' ARG . . . . . . . . . . . . . 2.8 mpp_? -114.22 26.95 9.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 74.299999999999997 110.857 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 75.8 m -102.73 111.64 24.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 72.239999999999995 110.89 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 570' ' ' GLU . . . . . 0.611 ' C ' HD13 ' A' ' 571' ' ' LEU . 2.2 pp20? -171.42 147.88 2.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.08 -0.509 . . . . 70.430000000000007 110.911 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 571' ' ' LEU . . . . . 0.611 HD13 ' C ' ' A' ' 570' ' ' GLU . 0.0 OUTLIER -156.42 168.24 27.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 72.5 110.942 -179.893 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 20.2 t -170.61 109.21 0.34 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 72.120000000000005 110.851 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 573' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -160.51 106.8 1.51 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 73.329999999999998 110.912 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 574' ' ' ARG . . . . . 0.442 ' HB3' HG23 ' A' ' 576' ' ' ILE . 4.1 tpt180 -175.87 159.69 2.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 75.519999999999996 110.872 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 575' ' ' ARG . . . . . . . . . . . . . 20.4 ptt180 -86.21 54.88 3.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 73.140000000000001 110.873 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 576' ' ' ILE . . . . . 0.442 HG23 ' HB3' ' A' ' 574' ' ' ARG . 44.4 pt -77.83 170.26 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 62.119999999999997 111.14 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 5.0 ptm180 -127.23 50.78 1.96 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 74.150000000000006 110.834 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 578' ' ' ARG . . . . . . . . . . . . . 29.9 mtt-85 -113.97 160.1 33.58 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.661 0.743 . . . . 62.25 110.849 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 579' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -170.37 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.735 2.29 . . . . 75.439999999999998 112.327 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 580' ' ' PHE . . . . . . . . . . . . . 7.7 p90 -63.79 144.13 57.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 72.340000000000003 110.892 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 6.5 m -106.67 -177.88 3.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 75.129999999999995 110.898 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 582' ' ' VAL . . . . . 0.699 HG13 ' HG3' ' A' ' 643' ' ' PRO . 99.0 t -51.22 -38.52 19.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 75.230000000000004 111.103 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -69.55 -36.96 76.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.489 . . . . 64.329999999999998 111.096 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 584' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -71.42 -51.18 25.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.263 -0.426 . . . . 52.229999999999997 110.903 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 585' ' ' VAL . . . . . . . . . . . . . 70.3 t -53.96 -34.17 25.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 71.409999999999997 111.095 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -52.01 -38.05 55.47 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.165 -0.47 . . . . 73.299999999999997 110.852 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 587' ' ' ALA . . . . . 0.775 ' HB2' HD12 ' A' ' 671' ' ' ILE . . . -62.67 -32.4 73.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 72.409999999999997 111.151 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 588' ' ' LEU . . . . . 0.431 HD21 ' HB2' ' A' ' 619' ' ' LEU . 1.3 tm? -71.52 -55.53 7.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 75.140000000000001 110.853 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 589' ' ' VAL . . . . . 0.477 HG13 ' N ' ' A' ' 590' ' ' GLU . 5.7 p -63.31 -46.36 95.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 73.239999999999995 111.136 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 590' ' ' GLU . . . . . 0.477 ' N ' HG13 ' A' ' 589' ' ' VAL . 61.9 mt-10 -52.59 -48.14 66.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 64.510000000000005 110.882 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 591' ' ' ALA . . . . . 0.582 ' HB3' HG13 ' A' ' 603' ' ' VAL . . . -67.42 -35.29 78.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 61.049999999999997 111.066 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 592' ' ' VAL . . . . . 0.407 ' O ' ' CA ' ' A' ' 596' ' ' GLY . 12.3 t -70.3 -27.42 31.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 73.140000000000001 111.122 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 593' ' ' GLU . . . . . 0.478 ' HG2' ' HB2' ' A' ' 653' ' ' ALA . 1.6 mt-10 -75.02 -36.09 61.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 71.150000000000006 110.906 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -86.09 -48.7 8.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 65.030000000000001 110.875 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 595' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -80.39 -24.52 39.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 75.340000000000003 110.961 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 596' ' ' GLY . . . . . 0.407 ' CA ' ' O ' ' A' ' 592' ' ' VAL . . . 88.71 -162.27 31.46 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.722 -0.751 . . . . 44.140000000000001 112.48 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 597' ' ' THR . . . . . . . . . . . . . 13.8 p -107.23 26.71 9.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.85 0.357 . . . . 43.329999999999998 111.164 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 598' ' ' GLY . . . . . . . . . . . . . . . -131.04 0.05 5.23 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.841 -0.695 . . . . 42.32 112.542 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 599' ' ' ARG . . . . . 0.62 ' O ' HG23 ' A' ' 603' ' ' VAL . 54.2 mtm-85 -125.43 80.31 1.88 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.859 0.361 . . . . 73.010000000000005 110.863 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 600' ' ' TRP . . . . . 0.491 ' O ' HD21 ' A' ' 619' ' ' LEU . 9.4 m0 -67.89 -50.35 56.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 74.120000000000005 111.002 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 601' ' ' ARG . . . . . . . . . . . . . 30.3 mmm-85 -53.1 -48.43 67.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 75.519999999999996 110.871 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 602' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -61.53 -38.7 88.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 72.420000000000002 110.904 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 603' ' ' VAL . . . . . 0.698 HG11 HD13 ' A' ' 619' ' ' LEU . 45.8 t -66.58 -31.53 53.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 72.109999999999999 111.134 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 32.0 tptt -64.75 -47.05 79.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 62.450000000000003 110.839 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 605' ' ' MET . . . . . . . . . . . . . 9.8 ptm -72.82 -31.52 64.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 74.430000000000007 110.867 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 606' ' ' ARG . . . . . . . . . . . . . 7.3 tpm_? -73.78 -40.9 63.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 64.310000000000002 110.886 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -90.01 -70.34 0.67 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 75.409999999999997 111.173 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 608' ' ' PHE . . . . . . . . . . . . . 43.5 m-85 -71.2 125.51 27.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 73.099999999999994 110.792 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 609' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -70.12 -33.05 71.35 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.182 -0.463 . . . . 61.109999999999999 110.882 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -100.94 63.21 1.01 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 60.109999999999999 110.927 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 611' ' ' ALA . . . . . . . . . . . . . . . -103.49 54.66 0.75 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 61.350000000000001 111.033 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 612' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -86.42 -72.12 0.52 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.196 -0.456 . . . . 73.329999999999998 110.862 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 613' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -115.21 25.85 10.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 70.439999999999998 110.916 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 614' ' ' ARG . . . . . . . . . . . . . 10.4 mmt180 -87.69 156.39 19.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 71.329999999999998 110.934 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 615' ' ' THR . . . . . 0.533 ' OG1' HG12 ' A' ' 617' ' ' VAL . 15.1 t -74.33 163.66 27.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 53.130000000000003 111.165 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 616' ' ' TYR . . . . . . . . . . . . . 17.4 p90 -107.29 -28.76 9.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.331 -0.395 . . . . 71.530000000000001 110.916 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 617' ' ' VAL . . . . . 0.533 HG12 ' OG1' ' A' ' 615' ' ' THR . 10.7 p -51.37 -33.3 14.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.094 -0.503 . . . . 72.239999999999995 111.173 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 618' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.2 -50.56 69.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.486 . . . . 72.349999999999994 110.837 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 619' ' ' LEU . . . . . 0.698 HD13 HG11 ' A' ' 603' ' ' VAL . 0.8 OUTLIER -69.26 -25.92 64.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 72.340000000000003 110.922 -179.926 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 620' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.73 -43.39 72.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 73.519999999999996 110.836 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -71.71 -30.01 65.17 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.313 -0.403 . . . . 74.530000000000001 110.899 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.88 -45.27 86.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 72.340000000000003 110.836 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 623' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -67.11 -46.91 72.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.277 -0.419 . . . . 72.430000000000007 110.949 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 21.0 tttt -50.8 -49.93 57.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 73.219999999999999 110.872 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 13.8 t -71.29 -28.63 64.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 61.420000000000002 111.122 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 626' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.85 -55.8 28.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 75.219999999999999 110.932 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 627' ' ' VAL . . . . . 0.736 HG23 HD12 ' A' ' 651' ' ' LEU . 4.8 p -61.63 -42.04 92.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 63.140000000000001 111.079 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 628' ' ' HIS . . . . . 0.418 ' HA ' ' HB ' ' A' ' 632' ' ' ILE . 5.1 m-70 -62.15 -26.77 68.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 71.019999999999996 110.891 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 629' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -79.44 -28.85 41.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 35.32 111.144 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 630' ' ' ALA . . . . . 0.779 ' HA ' HD13 ' A' ' 647' ' ' LEU . . . -52.67 -48.72 66.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 73.109999999999999 111.133 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 631' ' ' SER . . . . . 0.736 ' C ' HD12 ' A' ' 632' ' ' ILE . 14.6 t 176.29 66.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 74.109999999999999 110.861 -179.823 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 632' ' ' ILE . . . . . 0.736 HD12 ' C ' ' A' ' 631' ' ' SER . 2.7 mp -135.04 -72.68 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.083 -0.508 . . . . 73.230000000000004 111.103 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 633' ' ' ALA . . . . . 0.571 ' HB3' ' CG ' ' A' ' 636' ' ' GLN . . . -103.01 139.13 19.83 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.528 0.68 . . . . 71.239999999999995 111.105 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 634' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.63 -41.38 4.49 Favored 'Trans proline' 0 N--CA 1.465 -0.184 0 C-N-CA 122.69 2.26 . . . . 71.109999999999999 112.445 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 635' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -73.89 -13.12 60.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 54.43 110.901 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 636' ' ' GLN . . . . . 0.571 ' CG ' ' HB3' ' A' ' 633' ' ' ALA . 11.7 mm100 -80.28 -34.0 37.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 71.299999999999997 110.879 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 637' ' ' ARG . . . . . . . . . . . . . 16.1 ttp85 -84.57 112.7 20.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.425 . . . . 75.329999999999998 110.923 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 638' ' ' ARG . . . . . . . . . . . . . 11.7 tpt180 178.74 147.32 0.18 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 72.510000000000005 110.911 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 639' ' ' GLY . . . . . . . . . . . . . . . 99.99 85.0 1.83 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.708 -0.758 . . . . 73.120000000000005 112.518 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 640' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 62.11 161.21 0.12 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.729 0.776 . . . . 73.230000000000004 110.845 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 129.33 17.4 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.709 2.273 . . . . 63.509999999999998 112.371 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 642' ' ' VAL . . . . . 0.466 ' CG1' HD11 ' A' ' 647' ' ' LEU . 3.1 t -90.28 132.58 35.32 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.619 0.723 . . . . 51.310000000000002 111.124 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 643' ' ' PRO . . . . . 0.699 ' HG3' HG13 ' A' ' 582' ' ' VAL . 53.5 Cg_endo -69.87 128.86 16.53 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.67 2.247 . . . . 72.439999999999998 112.296 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 20.5 tt0 -68.82 -24.46 64.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 50.340000000000003 110.903 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -62.64 -47.7 82.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 75.510000000000005 110.873 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 646' ' ' LEU . . . . . 0.72 ' O ' HG23 ' A' ' 650' ' ' VAL . 12.1 mt -71.0 -51.6 24.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 71.510000000000005 110.976 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 647' ' ' LEU . . . . . 0.779 HD13 ' HA ' ' A' ' 630' ' ' ALA . 96.5 mt -55.37 -37.1 67.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 75.430000000000007 110.942 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -61.93 -49.46 76.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 72.530000000000001 110.845 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 649' ' ' ARG . . . . . . . . . . . . . 11.6 mmp_? -68.64 -31.76 71.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 60.439999999999998 110.866 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 650' ' ' VAL . . . . . 0.72 HG23 ' O ' ' A' ' 646' ' ' LEU . 77.5 t -61.48 -48.83 87.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 74.140000000000001 111.15 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 651' ' ' LEU . . . . . 0.736 HD12 HG23 ' A' ' 627' ' ' VAL . 7.9 mp -71.02 -26.58 63.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.104 -0.498 . . . . 45.520000000000003 110.846 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -68.72 -45.9 70.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 74.099999999999994 111.086 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 653' ' ' ALA . . . . . 0.478 ' HB2' ' HG2' ' A' ' 593' ' ' GLU . . . -75.83 -45.98 32.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 63.399999999999999 111.068 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 654' ' ' HIS . . . . . . . . . . . . . 26.3 t-80 -53.82 -43.61 69.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.446 . . . . 53.329999999999998 110.841 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -77.43 -46.94 21.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 74.25 111.077 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 81.3 t80 -54.22 -49.73 68.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 72.549999999999997 110.984 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 657' ' ' TRP . . . . . . . . . . . . . 76.6 m95 -70.25 -32.36 70.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 73.129999999999995 110.976 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 658' ' ' SER . . . . . . . . . . . . . 30.5 t -69.34 -35.2 75.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 73.019999999999996 110.908 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 659' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -85.19 -46.62 10.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 72.340000000000003 110.946 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -141.89 77.35 1.58 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 63.109999999999999 110.929 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -54.28 101.37 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.447 . . . . 72.010000000000005 110.911 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 662' ' ' GLY . . . . . . . . . . . . . . . -146.89 143.19 11.1 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.735 -0.745 . . . . 73.109999999999999 112.479 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 31.3 mtmt -51.86 139.61 21.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.695 0.284 . . . . 74.530000000000001 110.933 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 46.5 tp60 -130.08 165.08 22.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 74.319999999999993 110.925 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 665' ' ' HIS . . . . . . . . . . . . . 78.0 m-70 -119.47 132.92 55.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 74.310000000000002 110.847 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 666' ' ' VAL . . . . . . . . . . . . . 19.3 m -148.73 -173.91 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 70.299999999999997 111.104 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -104.06 136.31 19.21 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.713 0.768 . . . . 74.010000000000005 110.852 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 668' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -171.09 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.664 2.243 . . . . 73.299999999999997 112.35 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 669' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -173.47 113.88 0.22 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 53.439999999999998 110.871 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 670' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.34 170.03 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 25.440000000000001 110.912 179.799 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 671' ' ' ILE . . . . . 0.775 HD12 ' HB2' ' A' ' 587' ' ' ALA . 15.9 tt -155.69 145.27 12.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 72.430000000000007 111.067 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 14.7 tp -125.37 162.55 24.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.472 . . . . 74.0 110.959 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 673' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -129.01 126.8 40.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 63.0 110.901 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -118.01 -29.46 5.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 71.299999999999997 111.112 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 675' ' ' LYS . . . . . . . . . . . . . 43.2 tttp -54.45 118.51 4.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.472 . . . . 75.420000000000002 110.921 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . -100.37 -63.97 1.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 63.450000000000003 111.096 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 2.2 pp0? -124.8 170.26 11.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 75.319999999999993 110.914 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 678' ' ' LYS . . . . . . . . . . . . . 24.5 tttp -111.2 172.29 6.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 63.109999999999999 110.935 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 679' ' ' VAL . . . . . . . . . . . . . 12.2 p -100.18 -31.18 3.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 71.25 111.166 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 680' ' ' GLY . . . . . . . . . . . . . . . 66.17 49.66 56.29 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.712 -0.756 . . . . 64.340000000000003 112.495 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 681' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-O 120.792 0.33 . . . . 73.219999999999999 111.09 179.992 . . . . . . . . 0 0 . 1 stop_ save_