data_4b19_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 4b19 _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 71.0 t80 . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.454 -0.572 . . . . 3.95 109.454 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 9.1 p -104.79 -24.32 4.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.332 -0.849 . . . . 3.53 110.308 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -101.04 24.67 9.03 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.812 -0.631 . . . . 4.49 110.962 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 5.1 mm -126.0 -32.79 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.019 -0.537 . . . . 3.09 110.816 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.563 ' HA ' HD11 ' A' ' 12' ' ' ILE . 11.1 pt -84.75 0.24 5.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.955 -0.566 . . . . 3.18 112.199 -179.154 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.571 ' HB2' ' HD3' ' A' ' 10' ' ' PRO . . . -119.15 -52.31 0.04 OUTLIER Pre-proline 0 CA--C 1.535 0.403 0 N-CA-C 112.626 0.602 . . . . 2.11 112.626 -179.59 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.571 ' HD3' ' HB2' ' A' ' 9' ' ' ALA . 3.0 Cg_exo -76.01 -31.32 5.06 Favored 'Trans proline' 0 C--N 1.353 0.777 0 C-N-CA 122.265 1.976 . . . . 1.96 113.19 -179.049 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 23.0 t -83.13 -58.96 3.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 112.042 0.386 . . . . 2.09 112.042 -179.065 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.563 HD11 ' HA ' ' A' ' 8' ' ' ILE . 1.8 mp -54.44 -44.85 68.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.384 -0.371 . . . . 2.6 111.58 -179.267 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 33.3 t -59.2 -29.84 67.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.555 -0.293 . . . . 2.55 111.14 -179.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -65.87 -56.07 16.42 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.714 -0.755 . . . . 1.55 112.484 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 26.6 p -71.68 -18.23 62.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.81 0.338 . . . . 2.32 110.817 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.24 -15.48 63.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 3.31 111.097 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 46.3 mm -69.52 -46.26 76.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.333 -0.394 . . . . 3.78 110.948 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.02 -27.34 68.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.936 0.398 . . . . 2.02 110.683 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 93.4 t80 -81.45 -57.81 3.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.989 -0.55 . . . . 4.71 110.952 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 1.653 ' HD2' ' CD1' ' A' ' 20' ' ' PHE . 65.9 t80 -54.28 -49.89 68.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.923 -0.58 . . . . 4.67 110.887 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 29.8 t -50.52 -49.86 54.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.934 -0.576 . . . . 1.98 110.338 179.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 59.8 t80 -61.65 -37.75 85.17 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.554 -0.748 . . . . 5.31 111.017 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 49.4 t90 -56.12 -67.65 0.28 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.967 -0.561 . . . . 5.46 111.586 -179.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.433 ' O ' ' HB2' ' A' ' 27' ' ' ARG . 3.8 pp -64.36 -26.1 68.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.471 -0.332 . . . . 3.91 110.989 -179.659 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 29.0 t -58.61 -27.79 65.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.983 0.42 . . . . 3.81 110.576 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.56 -32.97 66.47 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.813 -0.63 . . . . 6.95 111.218 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.433 ' HB2' ' O ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -52.23 -58.04 7.84 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.074 -0.512 . . . . 4.85 111.405 -179.719 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -148.3 -63.02 0.25 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.171 -0.468 . . . . 5.25 111.075 -179.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.0 t -157.73 175.42 13.92 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.853 -0.612 . . . . 4.84 110.859 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.281 -0.866 . . . . 5.26 110.468 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 27.1 t80 . . . . . 0 CA--C 1.531 0.238 0 CA-C-O 121.645 0.735 . . . . 3.95 110.723 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.3 p -174.5 -39.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.252 -0.885 . . . . 3.53 109.243 177.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 56.7 m80 -77.81 -17.63 57.24 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.652 -0.704 . . . . 4.49 110.979 179.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -93.71 -3.64 10.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 121.591 0.71 . . . . 3.09 110.075 -179.666 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 45.7 mt -95.36 -73.72 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.271 -0.422 . . . . 3.18 111.989 -175.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.429 ' HB1' ' HD3' ' A' ' 10' ' ' PRO . . . -65.54 -57.93 13.18 Favored Pre-proline 0 CA--C 1.54 0.586 0 N-CA-C 113.27 0.841 . . . . 2.11 113.27 -169.401 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.429 ' HD3' ' HB1' ' A' ' 9' ' ' ALA . 67.2 Cg_endo -74.5 8.7 2.12 Favored 'Trans proline' 0 C--N 1.359 1.088 0 C-N-CA 121.817 1.678 . . . . 1.96 113.043 -174.809 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 67.3 t -113.34 -52.68 5.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.278 -0.419 . . . . 2.09 110.999 178.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 75.9 mt -65.67 -34.85 73.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.801 0.334 . . . . 2.6 110.566 -179.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 32.4 t -68.26 -10.7 56.52 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 116.201 -0.454 . . . . 2.55 111.264 -179.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -76.8 -48.61 8.54 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.975 -0.631 . . . . 1.55 112.123 -179.306 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.0 p -78.97 -17.68 55.02 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.045 0.45 . . . . 2.32 110.572 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.05 -17.36 64.37 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.924 -0.58 . . . . 3.31 111.327 -179.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 50.8 mm -59.37 -42.14 86.56 Favored 'Isoleucine or valine' 0 C--O 1.236 0.351 0 CA-C-N 116.291 -0.413 . . . . 3.78 110.83 177.462 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.81 -30.45 65.51 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 121.215 0.531 . . . . 2.02 110.62 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 73.3 t80 -70.6 -42.09 71.45 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.619 -0.718 . . . . 4.71 110.209 179.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 1.646 ' HD1' ' CD2' ' A' ' 20' ' ' PHE . 91.0 t80 -70.29 -42.8 71.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.913 -0.585 . . . . 4.67 111.269 178.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.7 p -68.79 -26.64 65.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.807 0.336 . . . . 1.98 111.445 -176.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 43.4 t80 -71.06 -22.35 62.13 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 116.494 -0.321 . . . . 5.31 110.792 177.238 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 35.4 t90 -78.05 -43.2 29.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.958 0.408 . . . . 5.46 110.531 -179.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.5 pp -72.8 -10.35 59.69 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.925 0.393 . . . . 3.91 110.824 178.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.574 ' OG ' ' HA ' ' A' ' 29' ' ' THR . 36.1 t -68.24 -11.03 58.67 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 116.34 -0.391 . . . . 3.81 111.179 178.45 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 31.5 mmm180 -73.73 -20.38 60.53 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.775 0.321 . . . . 6.95 111.463 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.6 mpt_? -84.1 -41.87 16.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.265 0.555 . . . . 4.85 110.153 176.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 41.8 t30 -141.75 -77.04 0.28 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.604 -0.726 . . . . 5.25 109.573 -179.228 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.574 ' HA ' ' OG ' ' A' ' 25' ' ' SER . 8.5 t 174.1 -42.7 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.834 -1.075 . . . . 4.84 108.106 177.785 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 29.2 mmtp . . . . . 0 C--O 1.243 0.748 0 CA-C-N 115.097 -0.956 . . . . 5.26 108.68 175.875 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 1.595 ' HD2' ' CD1' ' A' ' 4' ' ' PHE . 6.4 p90 . . . . . 0 N--CA 1.467 0.404 0 N-CA-C 113.203 0.816 . . . . 3.95 113.203 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 57.4 t -73.54 -64.32 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 120.866 0.365 . . . . 3.53 111.026 179.512 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 69.6 t60 -87.56 67.25 9.27 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.297 0.57 . . . . 4.49 110.487 -178.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 12.7 tt -164.59 -37.82 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.824 -0.625 . . . . 3.09 110.631 175.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.442 ' O ' HG13 ' A' ' 12' ' ' ILE . 58.4 mt -79.32 -61.83 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 121.0 0.429 . . . . 3.18 110.568 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.445 ' HB2' ' HD3' ' A' ' 10' ' ' PRO . . . -57.67 -49.58 92.97 Favored Pre-proline 0 CA--C 1.539 0.524 0 N-CA-C 113.293 0.849 . . . . 2.11 113.293 -175.675 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.445 ' HD3' ' HB2' ' A' ' 9' ' ' ALA . 38.1 Cg_exo -58.12 -27.04 78.48 Favored 'Trans proline' 0 C--N 1.36 1.181 0 C-N-CA 122.137 1.892 . . . . 1.96 113.398 -177.407 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 92.5 t -82.85 -38.79 15.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 120.642 0.258 . . . . 2.09 110.435 178.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.481 ' HA ' ' SG ' ' A' ' 15' ' ' CYS . 61.9 mt -61.17 -41.93 91.36 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 CA-C-N 116.316 -0.402 . . . . 2.6 111.149 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.8 m -65.07 -17.45 64.46 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.864 0.364 . . . . 2.55 111.3 -179.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -98.43 -36.75 4.5 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.821 -0.704 . . . . 1.55 112.878 -177.357 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.481 ' SG ' ' HA ' ' A' ' 12' ' ' ILE . 14.2 p -85.95 -16.71 37.52 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.012 0.375 . . . . 2.32 112.012 -176.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.01 -8.49 56.31 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.117 0.484 . . . . 3.31 110.739 178.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 51.0 mm -65.63 -28.53 44.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.001 -0.545 . . . . 3.78 110.26 179.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.76 -45.38 89.86 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.133 -0.485 . . . . 2.02 110.823 177.482 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -75.73 -38.99 58.01 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.07 -0.514 . . . . 4.71 110.149 178.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 1.602 ' HE1' ' CE2' ' A' ' 20' ' ' PHE . 88.4 t80 -59.93 -43.89 94.66 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 115.858 -0.61 . . . . 4.67 110.852 -179.648 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.5 ' O ' ' HB3' ' A' ' 25' ' ' SER . 37.3 p -67.56 -28.45 67.8 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.078 -0.51 . . . . 1.98 111.316 -177.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.401 ' HA ' ' HB2' ' A' ' 26' ' ' ARG . 67.6 t80 -80.57 -49.95 10.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.76 0.314 . . . . 5.31 111.457 177.803 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 53.0 t90 -69.7 -29.13 66.47 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.021 -0.536 . . . . 5.46 111.506 -170.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 56.3 tp -115.04 -54.93 2.52 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 120.412 -0.515 . . . . 3.91 111.667 -176.23 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.5 ' HB3' ' O ' ' A' ' 21' ' ' SER . 25.2 t -71.24 -53.49 14.17 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 111.961 0.356 . . . . 3.81 111.961 -172.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.401 ' HB2' ' HA ' ' A' ' 22' ' ' TYR . 5.3 mmm180 -83.64 47.2 1.25 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.143 0.497 . . . . 6.95 112.021 -176.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.3 mmm180 -97.55 -20.7 17.53 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 107.971 -1.122 . . . . 4.85 107.971 168.344 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -130.6 -85.6 0.52 Allowed 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 114.314 -1.312 . . . . 5.25 108.967 179.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 14.8 m -156.9 149.85 23.79 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.363 -0.606 . . . . 4.84 109.363 179.41 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.468 ' OXT' ' HG3' ' A' ' 30' ' ' LYS . 24.1 pttm . . . . . 0 C--O 1.246 0.894 0 CA-C-O 118.363 -0.827 . . . . 5.26 110.094 175.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 16.4 t80 . . . . . 0 C--O 1.235 0.296 0 CA-C-O 120.987 0.422 . . . . 3.95 111.476 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 2.9 p 176.28 -43.44 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 CA-C-N 115.874 -0.603 . . . . 3.53 110.916 179.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 62.5 t60 -70.2 -43.52 70.54 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-N 116.254 -0.43 . . . . 4.49 111.262 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.0 mp -77.9 -42.0 28.13 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 CA-C-N 116.504 -0.316 . . . . 3.09 111.421 -179.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.0 pt -80.0 74.99 0.76 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.307 0 CA-C-O 120.938 0.399 . . . . 3.18 111.623 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.446 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . . . 178.56 -67.06 0.0 OUTLIER Pre-proline 0 CA--C 1.533 0.291 0 CA-C-N 115.927 -0.579 . . . . 2.11 111.07 179.489 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.446 ' CD ' ' CB ' ' A' ' 9' ' ' ALA . 74.3 Cg_endo -76.54 -37.32 1.35 Allowed 'Trans proline' 0 C--N 1.353 0.798 0 C-N-CA 122.732 2.288 . . . . 1.96 112.728 179.812 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 28.7 t -67.25 -29.43 45.86 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 CA-C-N 116.638 -0.256 . . . . 2.09 111.206 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 42.9 mt -62.19 -27.46 42.59 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 CA-C-N 116.501 -0.318 . . . . 2.6 111.576 179.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 69.6 m -50.87 -40.54 56.63 Favored 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 111.941 0.349 . . . . 2.55 111.941 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.84 -58.49 12.72 Favored Glycine 0 C--N 1.336 0.545 0 C-N-CA 121.086 -0.578 . . . . 1.55 113.158 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.9 p -66.25 -24.33 66.56 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 112.104 0.409 . . . . 2.32 112.104 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.98 -39.59 69.17 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 111.732 0.271 . . . . 3.31 111.732 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 32.0 mt -63.76 -48.01 88.4 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 CA-C-N 116.55 -0.296 . . . . 3.78 111.103 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.53 -37.86 79.48 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 116.413 -0.358 . . . . 2.02 111.415 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -64.26 -47.24 80.34 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.432 -0.349 . . . . 4.71 111.24 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 1.61 ' HD1' ' CD2' ' A' ' 20' ' ' PHE . 85.6 t80 -61.88 -51.9 66.29 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.368 -0.378 . . . . 4.67 111.243 -179.805 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 22.2 p -58.44 -42.2 86.8 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.412 -0.358 . . . . 1.98 111.36 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 52.4 t80 -64.49 -45.15 88.54 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.454 -0.339 . . . . 5.31 111.138 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.463 ' CZ3' ' HD2' ' A' ' 27' ' ' ARG . 4.5 t90 -63.27 -42.0 99.09 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.368 -0.378 . . . . 5.46 111.04 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.4 mp -66.53 -33.74 76.36 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.236 -0.438 . . . . 3.91 111.234 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.2 t -54.56 -47.87 72.74 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.474 -0.33 . . . . 3.81 111.242 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 55.6 mmm-85 -64.6 -38.81 92.27 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.408 -0.36 . . . . 6.95 111.169 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.463 ' HD2' ' CZ3' ' A' ' 23' ' ' TRP . 0.0 OUTLIER -57.82 -48.85 78.55 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.452 -0.34 . . . . 4.85 111.3 179.936 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -142.3 -80.82 0.22 Allowed 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 116.518 -0.31 . . . . 5.25 110.979 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.6 t -171.13 164.66 7.39 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 120.846 0.355 . . . . 4.84 111.22 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.086 -0.959 . . . . 5.26 111.179 179.763 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.488 ' O ' HG12 ' A' ' 8' ' ' ILE . 42.5 p90 . . . . . 0 CA--C 1.534 0.341 0 N-CA-C 112.084 0.401 . . . . 3.95 112.084 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 14.1 p -63.99 -24.29 35.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.146 0.498 . . . . 3.53 110.987 -178.015 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 10.9 t-160 -89.06 -1.99 58.35 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.22 -0.445 . . . . 4.49 110.811 -176.204 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.401 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -123.42 -39.96 1.32 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.511 0 O-C-N 122.025 -0.422 . . . . 3.09 111.457 -178.436 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.488 HG12 ' O ' ' A' ' 4' ' ' PHE . 42.4 pt -65.26 -31.04 52.12 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 N-CA-C 111.909 0.337 . . . . 3.18 111.909 -175.412 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.523 ' HB2' ' HD3' ' A' ' 10' ' ' PRO . . . -101.45 -57.97 0.11 Allowed Pre-proline 0 CA--C 1.544 0.723 0 N-CA-C 112.901 0.704 . . . . 2.11 112.901 -178.317 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.523 ' HD3' ' HB2' ' A' ' 9' ' ' ALA . 8.0 Cg_exo -73.25 -6.26 18.58 Favored 'Trans proline' 0 C--N 1.359 1.125 0 C-N-CA 122.738 2.292 . . . . 1.96 113.345 -172.419 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.401 ' HB ' ' O ' ' A' ' 7' ' ' ILE . 85.2 t -114.52 -53.68 4.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 120.843 0.354 . . . . 2.09 110.601 -178.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 52.8 mt -63.72 -22.3 30.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.89 -0.596 . . . . 2.6 111.436 -176.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 23.1 t -64.16 -16.4 61.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.024 0.44 . . . . 2.55 110.958 179.585 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.12 -30.52 75.87 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.915 -0.66 . . . . 1.55 113.205 -176.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 31.7 p -70.71 -15.73 62.73 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 111.901 0.334 . . . . 2.32 111.901 -175.372 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.57 -25.47 67.34 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.842 0.353 . . . . 3.31 111.645 179.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 45.0 mm -69.27 -27.18 33.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.184 0.516 . . . . 3.78 110.404 -178.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -97.19 -4.23 39.49 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.877 -0.601 . . . . 2.02 111.102 179.353 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 1.609 ' HD1' ' CD2' ' A' ' 19' ' ' PHE . 42.6 t80 -102.32 -50.27 3.66 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.135 0.493 . . . . 4.71 110.485 -177.805 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 1.651 ' HE2' ' CE1' ' A' ' 20' ' ' PHE . 19.3 t80 -69.51 -24.26 63.72 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.595 -0.729 . . . . 4.67 111.322 -177.011 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 31.4 p -63.4 -48.99 75.56 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 116.224 -0.443 . . . . 1.98 111.257 179.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.437 ' O ' ' HG2' ' A' ' 26' ' ' ARG . 54.5 t80 -78.29 -20.43 51.57 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.263 0.554 . . . . 5.31 110.092 -179.297 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 39.2 t90 -67.01 -48.23 69.05 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.659 -0.701 . . . . 5.46 109.454 178.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 94.0 mt -67.63 -33.65 75.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.355 -0.384 . . . . 3.91 111.906 -178.309 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.8 p -74.41 -15.43 60.92 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 111.735 0.272 . . . . 3.81 111.735 -177.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.437 ' HG2' ' O ' ' A' ' 22' ' ' TYR . 28.0 mmm-85 -85.75 -8.87 57.88 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.081 0.467 . . . . 6.95 109.97 173.254 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.63 -55.55 3.6 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.08 -0.509 . . . . 4.85 109.815 176.783 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -158.68 -62.51 0.08 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.946 -0.57 . . . . 5.25 110.068 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 15.1 t -152.06 177.52 10.4 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.074 -0.512 . . . . 4.84 109.757 -176.321 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.7 tptp . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.15 -0.929 . . . . 5.26 110.516 -179.701 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.471 ' HB2' ' CD1' ' A' ' 3' ' ' ILE . 19.7 ptp . . . . . 0 N--CA 1.482 1.157 0 CA-C-O 121.086 0.47 . . . . 10.04 110.686 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.598 HD12 HD11 ' A' ' 3' ' ' ILE . 0.0 OUTLIER -61.97 -16.86 54.45 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.899 -0.591 . . . . 7.71 111.688 -179.19 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.598 HD11 HD12 ' A' ' 2' ' ' LEU . 0.1 OUTLIER -89.43 24.0 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.974 0.416 . . . . 5.43 111.204 -179.899 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -113.26 -23.91 9.67 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.924 -0.58 . . . . 3.95 109.454 178.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 9.1 p -104.79 -24.32 4.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.332 -0.849 . . . . 3.53 110.308 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -101.04 24.67 9.03 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.812 -0.631 . . . . 4.49 110.962 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 5.1 mm -126.0 -32.79 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.019 -0.537 . . . . 3.09 110.816 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.563 ' HA ' HD11 ' A' ' 12' ' ' ILE . 11.1 pt -84.75 0.24 5.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.955 -0.566 . . . . 3.18 112.199 -179.154 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.571 ' HB2' ' HD3' ' A' ' 10' ' ' PRO . . . -119.15 -52.31 0.04 OUTLIER Pre-proline 0 CA--C 1.535 0.403 0 N-CA-C 112.626 0.602 . . . . 2.11 112.626 -179.59 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.571 ' HD3' ' HB2' ' A' ' 9' ' ' ALA . 3.0 Cg_exo -76.01 -31.32 5.06 Favored 'Trans proline' 0 C--N 1.353 0.777 0 C-N-CA 122.265 1.976 . . . . 1.96 113.19 -179.049 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 23.0 t -83.13 -58.96 3.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 112.042 0.386 . . . . 2.09 112.042 -179.065 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.563 HD11 ' HA ' ' A' ' 8' ' ' ILE . 1.8 mp -54.44 -44.85 68.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.384 -0.371 . . . . 2.6 111.58 -179.267 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 33.3 t -59.2 -29.84 67.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.555 -0.293 . . . . 2.55 111.14 -179.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -65.87 -56.07 16.42 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.714 -0.755 . . . . 1.55 112.484 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 26.6 p -71.68 -18.23 62.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.81 0.338 . . . . 2.32 110.817 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.24 -15.48 63.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 3.31 111.097 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 46.3 mm -69.52 -46.26 76.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.333 -0.394 . . . . 3.78 110.948 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.02 -27.34 68.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.936 0.398 . . . . 2.02 110.683 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 93.4 t80 -81.45 -57.81 3.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.989 -0.55 . . . . 4.71 110.952 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 1.653 ' HD2' ' CD1' ' A' ' 20' ' ' PHE . 65.9 t80 -54.28 -49.89 68.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.923 -0.58 . . . . 4.67 110.887 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 29.8 t -50.52 -49.86 54.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.934 -0.576 . . . . 1.98 110.338 179.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 59.8 t80 -61.65 -37.75 85.17 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.554 -0.748 . . . . 5.31 111.017 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 49.4 t90 -56.12 -67.65 0.28 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.967 -0.561 . . . . 5.46 111.586 -179.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.433 ' O ' ' HB2' ' A' ' 27' ' ' ARG . 3.8 pp -64.36 -26.1 68.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.471 -0.332 . . . . 3.91 110.989 -179.659 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 29.0 t -58.61 -27.79 65.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.983 0.42 . . . . 3.81 110.576 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.56 -32.97 66.47 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.813 -0.63 . . . . 6.95 111.218 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.433 ' HB2' ' O ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -52.23 -58.04 7.84 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.074 -0.512 . . . . 4.85 111.405 -179.719 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -148.3 -63.02 0.25 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.171 -0.468 . . . . 5.25 111.075 -179.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.0 t -157.73 175.42 13.92 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.853 -0.612 . . . . 4.84 110.859 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.281 -0.866 . . . . 5.26 110.468 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 90.1 mtp . . . . . 0 N--CA 1.482 1.156 0 CA-C-O 120.81 0.338 . . . . 10.04 110.482 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 99.1 mt -140.25 37.33 1.9 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.175 0.512 . . . . 7.71 110.247 179.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 49.5 mm -83.92 -37.54 13.22 Favored 'Isoleucine or valine' 0 C--O 1.238 0.45 0 CA-C-N 116.342 -0.39 . . . . 5.43 111.112 -176.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 27.1 t80 -78.73 59.75 2.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.645 0.735 . . . . 3.95 110.723 -175.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.3 p -174.5 -39.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.252 -0.885 . . . . 3.53 109.243 177.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 56.7 m80 -77.81 -17.63 57.24 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.652 -0.704 . . . . 4.49 110.979 179.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -93.71 -3.64 10.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 121.591 0.71 . . . . 3.09 110.075 -179.666 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 45.7 mt -95.36 -73.72 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.271 -0.422 . . . . 3.18 111.989 -175.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.429 ' HB1' ' HD3' ' A' ' 10' ' ' PRO . . . -65.54 -57.93 13.18 Favored Pre-proline 0 CA--C 1.54 0.586 0 N-CA-C 113.27 0.841 . . . . 2.11 113.27 -169.401 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.429 ' HD3' ' HB1' ' A' ' 9' ' ' ALA . 67.2 Cg_endo -74.5 8.7 2.12 Favored 'Trans proline' 0 C--N 1.359 1.088 0 C-N-CA 121.817 1.678 . . . . 1.96 113.043 -174.809 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 67.3 t -113.34 -52.68 5.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.278 -0.419 . . . . 2.09 110.999 178.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 75.9 mt -65.67 -34.85 73.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.801 0.334 . . . . 2.6 110.566 -179.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 32.4 t -68.26 -10.7 56.52 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 116.201 -0.454 . . . . 2.55 111.264 -179.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -76.8 -48.61 8.54 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.975 -0.631 . . . . 1.55 112.123 -179.306 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.0 p -78.97 -17.68 55.02 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.045 0.45 . . . . 2.32 110.572 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.05 -17.36 64.37 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.924 -0.58 . . . . 3.31 111.327 -179.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 50.8 mm -59.37 -42.14 86.56 Favored 'Isoleucine or valine' 0 C--O 1.236 0.351 0 CA-C-N 116.291 -0.413 . . . . 3.78 110.83 177.462 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.81 -30.45 65.51 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 121.215 0.531 . . . . 2.02 110.62 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 73.3 t80 -70.6 -42.09 71.45 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.619 -0.718 . . . . 4.71 110.209 179.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 1.646 ' HD1' ' CD2' ' A' ' 20' ' ' PHE . 91.0 t80 -70.29 -42.8 71.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.913 -0.585 . . . . 4.67 111.269 178.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.7 p -68.79 -26.64 65.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.807 0.336 . . . . 1.98 111.445 -176.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 43.4 t80 -71.06 -22.35 62.13 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 116.494 -0.321 . . . . 5.31 110.792 177.238 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 35.4 t90 -78.05 -43.2 29.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.958 0.408 . . . . 5.46 110.531 -179.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.5 pp -72.8 -10.35 59.69 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.925 0.393 . . . . 3.91 110.824 178.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.574 ' OG ' ' HA ' ' A' ' 29' ' ' THR . 36.1 t -68.24 -11.03 58.67 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 116.34 -0.391 . . . . 3.81 111.179 178.45 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 31.5 mmm180 -73.73 -20.38 60.53 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.775 0.321 . . . . 6.95 111.463 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.6 mpt_? -84.1 -41.87 16.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.265 0.555 . . . . 4.85 110.153 176.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 41.8 t30 -141.75 -77.04 0.28 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.604 -0.726 . . . . 5.25 109.573 -179.228 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.574 ' HA ' ' OG ' ' A' ' 25' ' ' SER . 8.5 t 174.1 -42.7 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.834 -1.075 . . . . 4.84 108.106 177.785 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 29.2 mmtp . . . . . 0 C--O 1.243 0.748 0 CA-C-N 115.097 -0.956 . . . . 5.26 108.68 175.875 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.517 ' HA ' ' CE2' ' A' ' 4' ' ' PHE . 15.2 tpt . . . . . 0 N--CA 1.477 0.879 0 N-CA-C 109.977 -0.379 . . . . 10.04 109.977 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 80.1 mt -145.3 -75.61 0.22 Allowed 'General case' 0 C--O 1.225 -0.235 0 N-CA-C 113.073 0.768 . . . . 7.71 113.073 -178.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 31.2 mm -101.85 -12.65 8.63 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.487 0 N-CA-C 113.287 0.847 . . . . 5.43 113.287 -162.472 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 1.595 ' HD2' ' CD1' ' A' ' 4' ' ' PHE . 6.4 p90 -68.66 -3.13 10.88 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 113.203 0.816 . . . . 3.95 113.203 -172.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 57.4 t -73.54 -64.32 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 120.866 0.365 . . . . 3.53 111.026 179.512 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 69.6 t60 -87.56 67.25 9.27 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.297 0.57 . . . . 4.49 110.487 -178.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 12.7 tt -164.59 -37.82 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.824 -0.625 . . . . 3.09 110.631 175.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.442 ' O ' HG13 ' A' ' 12' ' ' ILE . 58.4 mt -79.32 -61.83 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 121.0 0.429 . . . . 3.18 110.568 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.445 ' HB2' ' HD3' ' A' ' 10' ' ' PRO . . . -57.67 -49.58 92.97 Favored Pre-proline 0 CA--C 1.539 0.524 0 N-CA-C 113.293 0.849 . . . . 2.11 113.293 -175.675 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.445 ' HD3' ' HB2' ' A' ' 9' ' ' ALA . 38.1 Cg_exo -58.12 -27.04 78.48 Favored 'Trans proline' 0 C--N 1.36 1.181 0 C-N-CA 122.137 1.892 . . . . 1.96 113.398 -177.407 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 92.5 t -82.85 -38.79 15.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 120.642 0.258 . . . . 2.09 110.435 178.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.481 ' HA ' ' SG ' ' A' ' 15' ' ' CYS . 61.9 mt -61.17 -41.93 91.36 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 CA-C-N 116.316 -0.402 . . . . 2.6 111.149 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.8 m -65.07 -17.45 64.46 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.864 0.364 . . . . 2.55 111.3 -179.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -98.43 -36.75 4.5 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.821 -0.704 . . . . 1.55 112.878 -177.357 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.481 ' SG ' ' HA ' ' A' ' 12' ' ' ILE . 14.2 p -85.95 -16.71 37.52 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.012 0.375 . . . . 2.32 112.012 -176.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.01 -8.49 56.31 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.117 0.484 . . . . 3.31 110.739 178.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 51.0 mm -65.63 -28.53 44.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.001 -0.545 . . . . 3.78 110.26 179.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.76 -45.38 89.86 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.133 -0.485 . . . . 2.02 110.823 177.482 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -75.73 -38.99 58.01 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.07 -0.514 . . . . 4.71 110.149 178.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 1.602 ' HE1' ' CE2' ' A' ' 20' ' ' PHE . 88.4 t80 -59.93 -43.89 94.66 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 115.858 -0.61 . . . . 4.67 110.852 -179.648 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.5 ' O ' ' HB3' ' A' ' 25' ' ' SER . 37.3 p -67.56 -28.45 67.8 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.078 -0.51 . . . . 1.98 111.316 -177.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.401 ' HA ' ' HB2' ' A' ' 26' ' ' ARG . 67.6 t80 -80.57 -49.95 10.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.76 0.314 . . . . 5.31 111.457 177.803 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 53.0 t90 -69.7 -29.13 66.47 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.021 -0.536 . . . . 5.46 111.506 -170.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 56.3 tp -115.04 -54.93 2.52 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 120.412 -0.515 . . . . 3.91 111.667 -176.23 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.5 ' HB3' ' O ' ' A' ' 21' ' ' SER . 25.2 t -71.24 -53.49 14.17 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 111.961 0.356 . . . . 3.81 111.961 -172.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.401 ' HB2' ' HA ' ' A' ' 22' ' ' TYR . 5.3 mmm180 -83.64 47.2 1.25 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.143 0.497 . . . . 6.95 112.021 -176.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.3 mmm180 -97.55 -20.7 17.53 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 107.971 -1.122 . . . . 4.85 107.971 168.344 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -130.6 -85.6 0.52 Allowed 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 114.314 -1.312 . . . . 5.25 108.967 179.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 14.8 m -156.9 149.85 23.79 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.363 -0.606 . . . . 4.84 109.363 179.41 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.468 ' OXT' ' HG3' ' A' ' 30' ' ' LYS . 24.1 pttm . . . . . 0 C--O 1.246 0.894 0 CA-C-O 118.363 -0.827 . . . . 5.26 110.094 175.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.6 mmt . . . . . 0 N--CA 1.491 1.593 0 CA-C-O 120.642 0.258 . . . . 10.04 111.26 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 15.5 mt -110.91 -169.92 1.54 Allowed 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.284 -0.416 . . . . 7.71 111.053 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 36.3 mm -62.02 114.01 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 CA-C-N 116.522 -0.308 . . . . 5.43 110.906 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -84.5 68.29 10.25 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.199 -0.455 . . . . 3.95 111.476 -179.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 2.9 p 176.28 -43.44 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 CA-C-N 115.874 -0.603 . . . . 3.53 110.916 179.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 62.5 t60 -70.2 -43.52 70.54 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-N 116.254 -0.43 . . . . 4.49 111.262 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.0 mp -77.9 -42.0 28.13 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 CA-C-N 116.504 -0.316 . . . . 3.09 111.421 -179.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.0 pt -80.0 74.99 0.76 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.307 0 CA-C-O 120.938 0.399 . . . . 3.18 111.623 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.446 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . . . 178.56 -67.06 0.0 OUTLIER Pre-proline 0 CA--C 1.533 0.291 0 CA-C-N 115.927 -0.579 . . . . 2.11 111.07 179.489 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.446 ' CD ' ' CB ' ' A' ' 9' ' ' ALA . 74.3 Cg_endo -76.54 -37.32 1.35 Allowed 'Trans proline' 0 C--N 1.353 0.798 0 C-N-CA 122.732 2.288 . . . . 1.96 112.728 179.812 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 28.7 t -67.25 -29.43 45.86 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 CA-C-N 116.638 -0.256 . . . . 2.09 111.206 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 42.9 mt -62.19 -27.46 42.59 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 CA-C-N 116.501 -0.318 . . . . 2.6 111.576 179.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 69.6 m -50.87 -40.54 56.63 Favored 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 111.941 0.349 . . . . 2.55 111.941 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.84 -58.49 12.72 Favored Glycine 0 C--N 1.336 0.545 0 C-N-CA 121.086 -0.578 . . . . 1.55 113.158 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.9 p -66.25 -24.33 66.56 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 112.104 0.409 . . . . 2.32 112.104 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.98 -39.59 69.17 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 111.732 0.271 . . . . 3.31 111.732 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 32.0 mt -63.76 -48.01 88.4 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 CA-C-N 116.55 -0.296 . . . . 3.78 111.103 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.53 -37.86 79.48 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 116.413 -0.358 . . . . 2.02 111.415 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -64.26 -47.24 80.34 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.432 -0.349 . . . . 4.71 111.24 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 1.61 ' HD1' ' CD2' ' A' ' 20' ' ' PHE . 85.6 t80 -61.88 -51.9 66.29 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.368 -0.378 . . . . 4.67 111.243 -179.805 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 22.2 p -58.44 -42.2 86.8 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.412 -0.358 . . . . 1.98 111.36 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 52.4 t80 -64.49 -45.15 88.54 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.454 -0.339 . . . . 5.31 111.138 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.463 ' CZ3' ' HD2' ' A' ' 27' ' ' ARG . 4.5 t90 -63.27 -42.0 99.09 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.368 -0.378 . . . . 5.46 111.04 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.4 mp -66.53 -33.74 76.36 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.236 -0.438 . . . . 3.91 111.234 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.2 t -54.56 -47.87 72.74 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.474 -0.33 . . . . 3.81 111.242 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 55.6 mmm-85 -64.6 -38.81 92.27 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.408 -0.36 . . . . 6.95 111.169 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.463 ' HD2' ' CZ3' ' A' ' 23' ' ' TRP . 0.0 OUTLIER -57.82 -48.85 78.55 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.452 -0.34 . . . . 4.85 111.3 179.936 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -142.3 -80.82 0.22 Allowed 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 116.518 -0.31 . . . . 5.25 110.979 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.6 t -171.13 164.66 7.39 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 120.846 0.355 . . . . 4.84 111.22 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.086 -0.959 . . . . 5.26 111.179 179.763 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.7 mmt . . . . . 0 N--CA 1.481 1.118 0 CA-C-O 120.713 0.292 . . . . 10.04 111.183 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 80.6 mt -83.22 51.93 2.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.325 0.583 . . . . 7.71 111.153 -178.114 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -90.49 -29.83 4.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.794 -0.639 . . . . 5.43 110.228 -179.638 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.488 ' O ' HG12 ' A' ' 8' ' ' ILE . 42.5 p90 -57.45 -31.36 65.85 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 116.096 -0.502 . . . . 3.95 112.084 -175.431 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 14.1 p -63.99 -24.29 35.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.146 0.498 . . . . 3.53 110.987 -178.015 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 10.9 t-160 -89.06 -1.99 58.35 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.22 -0.445 . . . . 4.49 110.811 -176.204 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.401 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -123.42 -39.96 1.32 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.511 0 O-C-N 122.025 -0.422 . . . . 3.09 111.457 -178.436 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.488 HG12 ' O ' ' A' ' 4' ' ' PHE . 42.4 pt -65.26 -31.04 52.12 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 N-CA-C 111.909 0.337 . . . . 3.18 111.909 -175.412 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.523 ' HB2' ' HD3' ' A' ' 10' ' ' PRO . . . -101.45 -57.97 0.11 Allowed Pre-proline 0 CA--C 1.544 0.723 0 N-CA-C 112.901 0.704 . . . . 2.11 112.901 -178.317 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.523 ' HD3' ' HB2' ' A' ' 9' ' ' ALA . 8.0 Cg_exo -73.25 -6.26 18.58 Favored 'Trans proline' 0 C--N 1.359 1.125 0 C-N-CA 122.738 2.292 . . . . 1.96 113.345 -172.419 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.401 ' HB ' ' O ' ' A' ' 7' ' ' ILE . 85.2 t -114.52 -53.68 4.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 120.843 0.354 . . . . 2.09 110.601 -178.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 52.8 mt -63.72 -22.3 30.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.89 -0.596 . . . . 2.6 111.436 -176.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 23.1 t -64.16 -16.4 61.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.024 0.44 . . . . 2.55 110.958 179.585 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.12 -30.52 75.87 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.915 -0.66 . . . . 1.55 113.205 -176.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 31.7 p -70.71 -15.73 62.73 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 111.901 0.334 . . . . 2.32 111.901 -175.372 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.57 -25.47 67.34 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.842 0.353 . . . . 3.31 111.645 179.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 45.0 mm -69.27 -27.18 33.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.184 0.516 . . . . 3.78 110.404 -178.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -97.19 -4.23 39.49 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.877 -0.601 . . . . 2.02 111.102 179.353 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 1.609 ' HD1' ' CD2' ' A' ' 19' ' ' PHE . 42.6 t80 -102.32 -50.27 3.66 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.135 0.493 . . . . 4.71 110.485 -177.805 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 1.651 ' HE2' ' CE1' ' A' ' 20' ' ' PHE . 19.3 t80 -69.51 -24.26 63.72 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.595 -0.729 . . . . 4.67 111.322 -177.011 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 31.4 p -63.4 -48.99 75.56 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 116.224 -0.443 . . . . 1.98 111.257 179.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.437 ' O ' ' HG2' ' A' ' 26' ' ' ARG . 54.5 t80 -78.29 -20.43 51.57 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.263 0.554 . . . . 5.31 110.092 -179.297 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 39.2 t90 -67.01 -48.23 69.05 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.659 -0.701 . . . . 5.46 109.454 178.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 94.0 mt -67.63 -33.65 75.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.355 -0.384 . . . . 3.91 111.906 -178.309 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.8 p -74.41 -15.43 60.92 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 111.735 0.272 . . . . 3.81 111.735 -177.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.437 ' HG2' ' O ' ' A' ' 22' ' ' TYR . 28.0 mmm-85 -85.75 -8.87 57.88 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.081 0.467 . . . . 6.95 109.97 173.254 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.63 -55.55 3.6 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.08 -0.509 . . . . 4.85 109.815 176.783 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -158.68 -62.51 0.08 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.946 -0.57 . . . . 5.25 110.068 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 15.1 t -152.06 177.52 10.4 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.074 -0.512 . . . . 4.84 109.757 -176.321 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.7 tptp . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.15 -0.929 . . . . 5.26 110.516 -179.701 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 71.0 t80 . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.454 -0.572 . . . . 3.49 109.454 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 9.1 p -104.79 -24.32 4.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.332 -0.849 . . . . 3.11 110.308 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 7.6 m80 -101.04 24.67 9.03 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.812 -0.631 . . . . 3.82 110.962 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 5.1 mm -126.0 -32.79 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.019 -0.537 . . . . 2.53 110.816 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.764 ' HA ' HD13 ' A' ' 12' ' ' ILE . 11.1 pt -84.75 0.24 5.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.955 -0.566 . . . . 2.76 112.199 -179.154 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.587 ' HB3' ' HD3' ' A' ' 10' ' ' PRO . . . -119.15 -52.31 0.04 OUTLIER Pre-proline 0 CA--C 1.535 0.403 0 N-CA-C 112.626 0.602 . . . . 1.68 112.626 -179.59 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.587 ' HD3' ' HB3' ' A' ' 9' ' ' ALA . 3.0 Cg_exo -76.01 -31.32 5.06 Favored 'Trans proline' 0 C--N 1.353 0.777 0 C-N-CA 122.265 1.976 . . . . 1.69 113.19 -179.049 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 23.0 t -83.13 -58.96 3.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 112.042 0.386 . . . . 1.58 112.042 -179.065 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.764 HD13 ' HA ' ' A' ' 8' ' ' ILE . 1.8 mp -54.44 -44.85 68.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.384 -0.371 . . . . 2.26 111.58 -179.267 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 33.3 t -59.2 -29.84 67.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.555 -0.293 . . . . 2.21 111.14 -179.661 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -65.87 -56.07 16.42 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.714 -0.755 . . . . 1.55 112.484 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 26.6 p -71.68 -18.23 62.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.81 0.338 . . . . 2.15 110.817 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.24 -15.48 63.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 2.93 111.097 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 46.3 mm -69.52 -46.26 76.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.333 -0.394 . . . . 3.42 110.948 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.02 -27.34 68.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.936 0.398 . . . . 1.62 110.683 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 93.4 t80 -81.45 -57.81 3.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.989 -0.55 . . . . 4.24 110.952 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -54.28 -49.89 68.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.923 -0.58 . . . . 4.22 110.887 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 29.8 t -50.52 -49.86 54.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.934 -0.576 . . . . 1.49 110.338 179.487 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 59.8 t80 -61.65 -37.75 85.17 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.554 -0.748 . . . . 5.01 111.017 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 49.4 t90 -56.12 -67.65 0.28 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.967 -0.561 . . . . 4.84 111.586 -179.217 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.439 ' O ' ' HB2' ' A' ' 27' ' ' ARG . 3.8 pp -64.36 -26.1 68.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.471 -0.332 . . . . 3.46 110.989 -179.659 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 29.0 t -58.61 -27.79 65.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.983 0.42 . . . . 3.54 110.576 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.56 -32.97 66.47 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.813 -0.63 . . . . 6.34 111.218 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.439 ' HB2' ' O ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -52.23 -58.04 7.84 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.074 -0.512 . . . . 4.34 111.405 -179.719 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -148.3 -63.02 0.25 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.171 -0.468 . . . . 4.57 111.075 -179.381 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.0 t -157.73 175.42 13.92 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.853 -0.612 . . . . 4.64 110.859 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.281 -0.866 . . . . 4.92 110.468 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 27.1 t80 . . . . . 0 CA--C 1.531 0.238 0 CA-C-O 121.645 0.735 . . . . 3.49 110.723 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.3 p -174.5 -39.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.252 -0.885 . . . . 3.11 109.243 177.668 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 56.7 m80 -77.81 -17.63 57.24 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.652 -0.704 . . . . 3.82 110.979 179.194 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -93.71 -3.64 10.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 121.591 0.71 . . . . 2.53 110.075 -179.666 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 45.7 mt -95.36 -73.72 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.271 -0.422 . . . . 2.76 111.989 -175.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.443 ' HB3' ' HD3' ' A' ' 10' ' ' PRO . . . -65.54 -57.93 13.18 Favored Pre-proline 0 CA--C 1.54 0.586 0 N-CA-C 113.27 0.841 . . . . 1.68 113.27 -169.401 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.443 ' HD3' ' HB3' ' A' ' 9' ' ' ALA . 67.2 Cg_endo -74.5 8.7 2.12 Favored 'Trans proline' 0 C--N 1.359 1.088 0 C-N-CA 121.817 1.678 . . . . 1.69 113.043 -174.809 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 67.3 t -113.34 -52.68 5.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.278 -0.419 . . . . 1.58 110.999 178.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 75.9 mt -65.67 -34.85 73.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.801 0.334 . . . . 2.26 110.566 -179.41 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 32.4 t -68.26 -10.7 56.52 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 116.201 -0.454 . . . . 2.21 111.264 -179.16 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -76.8 -48.61 8.54 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.975 -0.631 . . . . 1.55 112.123 -179.306 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.0 p -78.97 -17.68 55.02 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.045 0.45 . . . . 2.15 110.572 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.05 -17.36 64.37 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.924 -0.58 . . . . 2.93 111.327 -179.366 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 50.8 mm -59.37 -42.14 86.56 Favored 'Isoleucine or valine' 0 C--O 1.236 0.351 0 CA-C-N 116.291 -0.413 . . . . 3.42 110.83 177.462 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.81 -30.45 65.51 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 121.215 0.531 . . . . 1.62 110.62 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 73.3 t80 -70.6 -42.09 71.45 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.619 -0.718 . . . . 4.24 110.209 179.647 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -70.29 -42.8 71.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.913 -0.585 . . . . 4.22 111.269 178.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.7 p -68.79 -26.64 65.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.807 0.336 . . . . 1.49 111.445 -176.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 43.4 t80 -71.06 -22.35 62.13 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 116.494 -0.321 . . . . 5.01 110.792 177.238 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 35.4 t90 -78.05 -43.2 29.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.958 0.408 . . . . 4.84 110.531 -179.673 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.5 pp -72.8 -10.35 59.69 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.925 0.393 . . . . 3.46 110.824 178.391 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.574 ' OG ' ' HA ' ' A' ' 29' ' ' THR . 36.1 t -68.24 -11.03 58.67 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 116.34 -0.391 . . . . 3.54 111.179 178.45 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 31.5 mmm180 -73.73 -20.38 60.53 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.775 0.321 . . . . 6.34 111.463 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.6 mpt_? -84.1 -41.87 16.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.265 0.555 . . . . 4.34 110.153 176.677 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 41.8 t30 -141.75 -77.04 0.28 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.604 -0.726 . . . . 4.57 109.573 -179.228 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.574 ' HA ' ' OG ' ' A' ' 25' ' ' SER . 8.5 t 174.1 -42.7 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.834 -1.075 . . . . 4.64 108.106 177.785 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.414 ' HA ' ' HD3' ' A' ' 30' ' ' LYS . 29.2 mmtp . . . . . 0 C--O 1.243 0.748 0 CA-C-N 115.097 -0.956 . . . . 4.92 108.68 175.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 6.4 p90 . . . . . 0 N--CA 1.467 0.404 0 N-CA-C 113.203 0.816 . . . . 3.49 113.203 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 57.4 t -73.54 -64.32 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 120.866 0.365 . . . . 3.11 111.026 179.512 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 69.6 t60 -87.56 67.25 9.27 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.297 0.57 . . . . 3.82 110.487 -178.566 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 12.7 tt -164.59 -37.82 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.824 -0.625 . . . . 2.53 110.631 175.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.446 ' O ' HG13 ' A' ' 12' ' ' ILE . 58.4 mt -79.32 -61.83 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 121.0 0.429 . . . . 2.76 110.568 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.481 ' HB3' ' HD3' ' A' ' 10' ' ' PRO . . . -57.67 -49.58 92.97 Favored Pre-proline 0 CA--C 1.539 0.524 0 N-CA-C 113.293 0.849 . . . . 1.68 113.293 -175.675 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.481 ' HD3' ' HB3' ' A' ' 9' ' ' ALA . 38.1 Cg_exo -58.12 -27.04 78.48 Favored 'Trans proline' 0 C--N 1.36 1.181 0 C-N-CA 122.137 1.892 . . . . 1.69 113.398 -177.407 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 92.5 t -82.85 -38.79 15.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 120.642 0.258 . . . . 1.58 110.435 178.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.492 ' HA ' ' SG ' ' A' ' 15' ' ' CYS . 61.9 mt -61.17 -41.93 91.36 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 CA-C-N 116.316 -0.402 . . . . 2.26 111.149 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.8 m -65.07 -17.45 64.46 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.864 0.364 . . . . 2.21 111.3 -179.503 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -98.43 -36.75 4.5 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.821 -0.704 . . . . 1.55 112.878 -177.357 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.492 ' SG ' ' HA ' ' A' ' 12' ' ' ILE . 14.2 p -85.95 -16.71 37.52 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.012 0.375 . . . . 2.15 112.012 -176.88 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.01 -8.49 56.31 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.117 0.484 . . . . 2.93 110.739 178.831 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 51.0 mm -65.63 -28.53 44.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.001 -0.545 . . . . 3.42 110.26 179.189 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.76 -45.38 89.86 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.133 -0.485 . . . . 1.62 110.823 177.482 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -75.73 -38.99 58.01 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.07 -0.514 . . . . 4.24 110.149 178.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -59.93 -43.89 94.66 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 115.858 -0.61 . . . . 4.22 110.852 -179.648 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.505 ' O ' ' HB3' ' A' ' 25' ' ' SER . 37.3 p -67.56 -28.45 67.8 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.078 -0.51 . . . . 1.49 111.316 -177.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.428 ' HA ' ' HB2' ' A' ' 26' ' ' ARG . 67.6 t80 -80.57 -49.95 10.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.76 0.314 . . . . 5.01 111.457 177.803 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 53.0 t90 -69.7 -29.13 66.47 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.021 -0.536 . . . . 4.84 111.506 -170.776 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 56.3 tp -115.04 -54.93 2.52 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 120.412 -0.515 . . . . 3.46 111.667 -176.23 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.505 ' HB3' ' O ' ' A' ' 21' ' ' SER . 25.2 t -71.24 -53.49 14.17 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 111.961 0.356 . . . . 3.54 111.961 -172.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.428 ' HB2' ' HA ' ' A' ' 22' ' ' TYR . 5.3 mmm180 -83.64 47.2 1.25 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.143 0.497 . . . . 6.34 112.021 -176.822 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.3 mmm180 -97.55 -20.7 17.53 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 107.971 -1.122 . . . . 4.34 107.971 168.344 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -130.6 -85.6 0.52 Allowed 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 114.314 -1.312 . . . . 4.57 108.967 179.504 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 14.8 m -156.9 149.85 23.79 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.363 -0.606 . . . . 4.64 109.363 179.41 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.477 ' OXT' ' HG3' ' A' ' 30' ' ' LYS . 24.1 pttm . . . . . 0 C--O 1.246 0.894 0 CA-C-O 118.363 -0.827 . . . . 4.92 110.094 175.61 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 16.4 t80 . . . . . 0 C--O 1.235 0.296 0 CA-C-O 120.987 0.422 . . . . 3.49 111.476 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 2.9 p 176.28 -43.44 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 CA-C-N 115.874 -0.603 . . . . 3.11 110.916 179.659 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 62.5 t60 -70.2 -43.52 70.54 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-N 116.254 -0.43 . . . . 3.82 111.262 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.469 HG23 HG21 ' A' ' 11' ' ' VAL . 4.0 mp -77.9 -42.0 28.13 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 CA-C-N 116.504 -0.316 . . . . 2.53 111.421 -179.692 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.0 pt -80.0 74.99 0.76 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.307 0 CA-C-O 120.938 0.399 . . . . 2.76 111.623 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.848 ' HB3' ' HD3' ' A' ' 10' ' ' PRO . . . 178.56 -67.06 0.0 OUTLIER Pre-proline 0 CA--C 1.533 0.291 0 CA-C-N 115.927 -0.579 . . . . 1.68 111.07 179.489 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.848 ' HD3' ' HB3' ' A' ' 9' ' ' ALA . 74.3 Cg_endo -76.54 -37.32 1.35 Allowed 'Trans proline' 0 C--N 1.353 0.798 0 C-N-CA 122.732 2.288 . . . . 1.69 112.728 179.812 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.469 HG21 HG23 ' A' ' 7' ' ' ILE . 28.7 t -67.25 -29.43 45.86 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 CA-C-N 116.638 -0.256 . . . . 1.58 111.206 179.78 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 42.9 mt -62.19 -27.46 42.59 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 CA-C-N 116.501 -0.318 . . . . 2.26 111.576 179.666 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 69.6 m -50.87 -40.54 56.63 Favored 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 111.941 0.349 . . . . 2.21 111.941 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.84 -58.49 12.72 Favored Glycine 0 C--N 1.336 0.545 0 C-N-CA 121.086 -0.578 . . . . 1.55 113.158 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.9 p -66.25 -24.33 66.56 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 112.104 0.409 . . . . 2.15 112.104 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.98 -39.59 69.17 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 111.732 0.271 . . . . 2.93 111.732 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 32.0 mt -63.76 -48.01 88.4 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 CA-C-N 116.55 -0.296 . . . . 3.42 111.103 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.53 -37.86 79.48 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 116.413 -0.358 . . . . 1.62 111.415 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -64.26 -47.24 80.34 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.432 -0.349 . . . . 4.24 111.24 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -61.88 -51.9 66.29 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.368 -0.378 . . . . 4.22 111.243 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 22.2 p -58.44 -42.2 86.8 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.412 -0.358 . . . . 1.49 111.36 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 52.4 t80 -64.49 -45.15 88.54 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.454 -0.339 . . . . 5.01 111.138 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.482 ' CZ3' ' HD2' ' A' ' 27' ' ' ARG . 4.5 t90 -63.27 -42.0 99.09 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.368 -0.378 . . . . 4.84 111.04 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.4 mp -66.53 -33.74 76.36 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.236 -0.438 . . . . 3.46 111.234 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.2 t -54.56 -47.87 72.74 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.474 -0.33 . . . . 3.54 111.242 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 55.6 mmm-85 -64.6 -38.81 92.27 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.408 -0.36 . . . . 6.34 111.169 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.482 ' HD2' ' CZ3' ' A' ' 23' ' ' TRP . 0.0 OUTLIER -57.82 -48.85 78.55 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.452 -0.34 . . . . 4.34 111.3 179.936 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -142.3 -80.82 0.22 Allowed 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 116.518 -0.31 . . . . 4.57 110.979 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.6 t -171.13 164.66 7.39 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 120.846 0.355 . . . . 4.64 111.22 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.401 ' HD2' ' HA ' ' A' ' 30' ' ' LYS . 1.4 mmmp? . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.086 -0.959 . . . . 4.92 111.179 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.492 ' O ' HG12 ' A' ' 8' ' ' ILE . 42.5 p90 . . . . . 0 CA--C 1.534 0.341 0 N-CA-C 112.084 0.401 . . . . 3.49 112.084 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 14.1 p -63.99 -24.29 35.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.146 0.498 . . . . 3.11 110.987 -178.015 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 10.9 t-160 -89.06 -1.99 58.35 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.22 -0.445 . . . . 3.82 110.811 -176.204 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.416 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -123.42 -39.96 1.32 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.511 0 O-C-N 122.025 -0.422 . . . . 2.53 111.457 -178.436 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.492 HG12 ' O ' ' A' ' 4' ' ' PHE . 42.4 pt -65.26 -31.04 52.12 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 N-CA-C 111.909 0.337 . . . . 2.76 111.909 -175.412 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.55 ' HB3' ' HD3' ' A' ' 10' ' ' PRO . . . -101.45 -57.97 0.11 Allowed Pre-proline 0 CA--C 1.544 0.723 0 N-CA-C 112.901 0.704 . . . . 1.68 112.901 -178.317 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.55 ' HD3' ' HB3' ' A' ' 9' ' ' ALA . 8.0 Cg_exo -73.25 -6.26 18.58 Favored 'Trans proline' 0 C--N 1.359 1.125 0 C-N-CA 122.738 2.292 . . . . 1.69 113.345 -172.419 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.416 ' HB ' ' O ' ' A' ' 7' ' ' ILE . 85.2 t -114.52 -53.68 4.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 120.843 0.354 . . . . 1.58 110.601 -178.874 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 52.8 mt -63.72 -22.3 30.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.89 -0.596 . . . . 2.26 111.436 -176.601 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 23.1 t -64.16 -16.4 61.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.024 0.44 . . . . 2.21 110.958 179.585 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.12 -30.52 75.87 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.915 -0.66 . . . . 1.55 113.205 -176.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 31.7 p -70.71 -15.73 62.73 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 111.901 0.334 . . . . 2.15 111.901 -175.372 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.57 -25.47 67.34 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.842 0.353 . . . . 2.93 111.645 179.492 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 45.0 mm -69.27 -27.18 33.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.184 0.516 . . . . 3.42 110.404 -178.729 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -97.19 -4.23 39.49 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.877 -0.601 . . . . 1.62 111.102 179.353 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -102.32 -50.27 3.66 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.135 0.493 . . . . 4.24 110.485 -177.805 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -69.51 -24.26 63.72 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.595 -0.729 . . . . 4.22 111.322 -177.011 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 31.4 p -63.4 -48.99 75.56 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 116.224 -0.443 . . . . 1.49 111.257 179.514 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.459 ' O ' ' HG2' ' A' ' 26' ' ' ARG . 54.5 t80 -78.29 -20.43 51.57 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.263 0.554 . . . . 5.01 110.092 -179.297 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 39.2 t90 -67.01 -48.23 69.05 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.659 -0.701 . . . . 4.84 109.454 178.486 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 94.0 mt -67.63 -33.65 75.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.355 -0.384 . . . . 3.46 111.906 -178.309 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.8 p -74.41 -15.43 60.92 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 111.735 0.272 . . . . 3.54 111.735 -177.864 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.459 ' HG2' ' O ' ' A' ' 22' ' ' TYR . 28.0 mmm-85 -85.75 -8.87 57.88 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.081 0.467 . . . . 6.34 109.97 173.254 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.63 -55.55 3.6 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.08 -0.509 . . . . 4.34 109.815 176.783 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 39.1 t30 -158.68 -62.51 0.08 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.946 -0.57 . . . . 4.57 110.068 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 15.1 t -152.06 177.52 10.4 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.074 -0.512 . . . . 4.64 109.757 -176.321 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.405 ' HA ' ' HD2' ' A' ' 30' ' ' LYS . 7.7 tptp . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.15 -0.929 . . . . 4.92 110.516 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.479 ' HB2' ' CD1' ' A' ' 3' ' ' ILE . 19.7 ptp . . . . . 0 N--CA 1.482 1.157 0 CA-C-O 121.086 0.47 . . . . 9.67 110.686 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.64 HD13 HD13 ' A' ' 3' ' ' ILE . 0.0 OUTLIER -61.97 -16.86 54.45 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.899 -0.591 . . . . 7.24 111.688 -179.19 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.64 HD13 HD13 ' A' ' 2' ' ' LEU . 0.1 OUTLIER -89.43 24.0 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.974 0.416 . . . . 5.04 111.204 -179.899 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -113.26 -23.91 9.67 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.924 -0.58 . . . . 3.49 109.454 178.633 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 9.1 p -104.79 -24.32 4.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.332 -0.849 . . . . 3.11 110.308 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 7.6 m80 -101.04 24.67 9.03 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.812 -0.631 . . . . 3.82 110.962 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 5.1 mm -126.0 -32.79 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.019 -0.537 . . . . 2.53 110.816 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.764 ' HA ' HD13 ' A' ' 12' ' ' ILE . 11.1 pt -84.75 0.24 5.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.955 -0.566 . . . . 2.76 112.199 -179.154 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.587 ' HB3' ' HD3' ' A' ' 10' ' ' PRO . . . -119.15 -52.31 0.04 OUTLIER Pre-proline 0 CA--C 1.535 0.403 0 N-CA-C 112.626 0.602 . . . . 1.68 112.626 -179.59 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.587 ' HD3' ' HB3' ' A' ' 9' ' ' ALA . 3.0 Cg_exo -76.01 -31.32 5.06 Favored 'Trans proline' 0 C--N 1.353 0.777 0 C-N-CA 122.265 1.976 . . . . 1.69 113.19 -179.049 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 23.0 t -83.13 -58.96 3.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 112.042 0.386 . . . . 1.58 112.042 -179.065 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.764 HD13 ' HA ' ' A' ' 8' ' ' ILE . 1.8 mp -54.44 -44.85 68.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.384 -0.371 . . . . 2.26 111.58 -179.267 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 33.3 t -59.2 -29.84 67.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.555 -0.293 . . . . 2.21 111.14 -179.661 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -65.87 -56.07 16.42 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.714 -0.755 . . . . 1.55 112.484 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 26.6 p -71.68 -18.23 62.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.81 0.338 . . . . 2.15 110.817 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.24 -15.48 63.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 2.93 111.097 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 46.3 mm -69.52 -46.26 76.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.333 -0.394 . . . . 3.42 110.948 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.02 -27.34 68.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.936 0.398 . . . . 1.62 110.683 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 93.4 t80 -81.45 -57.81 3.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.989 -0.55 . . . . 4.24 110.952 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -54.28 -49.89 68.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.923 -0.58 . . . . 4.22 110.887 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 29.8 t -50.52 -49.86 54.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.934 -0.576 . . . . 1.49 110.338 179.487 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 59.8 t80 -61.65 -37.75 85.17 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.554 -0.748 . . . . 5.01 111.017 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 49.4 t90 -56.12 -67.65 0.28 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.967 -0.561 . . . . 4.84 111.586 -179.217 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.439 ' O ' ' HB2' ' A' ' 27' ' ' ARG . 3.8 pp -64.36 -26.1 68.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.471 -0.332 . . . . 3.46 110.989 -179.659 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 29.0 t -58.61 -27.79 65.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.983 0.42 . . . . 3.54 110.576 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.56 -32.97 66.47 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.813 -0.63 . . . . 6.34 111.218 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.439 ' HB2' ' O ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -52.23 -58.04 7.84 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.074 -0.512 . . . . 4.34 111.405 -179.719 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -148.3 -63.02 0.25 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.171 -0.468 . . . . 4.57 111.075 -179.381 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.0 t -157.73 175.42 13.92 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.853 -0.612 . . . . 4.64 110.859 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.281 -0.866 . . . . 4.92 110.468 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 90.1 mtp . . . . . 0 N--CA 1.482 1.156 0 CA-C-O 120.81 0.338 . . . . 9.67 110.482 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 99.1 mt -140.25 37.33 1.9 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.175 0.512 . . . . 7.24 110.247 179.576 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 49.5 mm -83.92 -37.54 13.22 Favored 'Isoleucine or valine' 0 C--O 1.238 0.45 0 CA-C-N 116.342 -0.39 . . . . 5.04 111.112 -176.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 27.1 t80 -78.73 59.75 2.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.645 0.735 . . . . 3.49 110.723 -175.416 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.3 p -174.5 -39.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.252 -0.885 . . . . 3.11 109.243 177.668 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 56.7 m80 -77.81 -17.63 57.24 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.652 -0.704 . . . . 3.82 110.979 179.194 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -93.71 -3.64 10.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 121.591 0.71 . . . . 2.53 110.075 -179.666 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 45.7 mt -95.36 -73.72 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.271 -0.422 . . . . 2.76 111.989 -175.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.443 ' HB3' ' HD3' ' A' ' 10' ' ' PRO . . . -65.54 -57.93 13.18 Favored Pre-proline 0 CA--C 1.54 0.586 0 N-CA-C 113.27 0.841 . . . . 1.68 113.27 -169.401 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.443 ' HD3' ' HB3' ' A' ' 9' ' ' ALA . 67.2 Cg_endo -74.5 8.7 2.12 Favored 'Trans proline' 0 C--N 1.359 1.088 0 C-N-CA 121.817 1.678 . . . . 1.69 113.043 -174.809 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 67.3 t -113.34 -52.68 5.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.278 -0.419 . . . . 1.58 110.999 178.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 75.9 mt -65.67 -34.85 73.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.801 0.334 . . . . 2.26 110.566 -179.41 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 32.4 t -68.26 -10.7 56.52 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 116.201 -0.454 . . . . 2.21 111.264 -179.16 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -76.8 -48.61 8.54 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.975 -0.631 . . . . 1.55 112.123 -179.306 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.0 p -78.97 -17.68 55.02 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.045 0.45 . . . . 2.15 110.572 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.05 -17.36 64.37 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.924 -0.58 . . . . 2.93 111.327 -179.366 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 50.8 mm -59.37 -42.14 86.56 Favored 'Isoleucine or valine' 0 C--O 1.236 0.351 0 CA-C-N 116.291 -0.413 . . . . 3.42 110.83 177.462 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.81 -30.45 65.51 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 121.215 0.531 . . . . 1.62 110.62 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 73.3 t80 -70.6 -42.09 71.45 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.619 -0.718 . . . . 4.24 110.209 179.647 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -70.29 -42.8 71.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.913 -0.585 . . . . 4.22 111.269 178.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.7 p -68.79 -26.64 65.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.807 0.336 . . . . 1.49 111.445 -176.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 43.4 t80 -71.06 -22.35 62.13 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 116.494 -0.321 . . . . 5.01 110.792 177.238 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 35.4 t90 -78.05 -43.2 29.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.958 0.408 . . . . 4.84 110.531 -179.673 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.5 pp -72.8 -10.35 59.69 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.925 0.393 . . . . 3.46 110.824 178.391 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.574 ' OG ' ' HA ' ' A' ' 29' ' ' THR . 36.1 t -68.24 -11.03 58.67 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 116.34 -0.391 . . . . 3.54 111.179 178.45 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 31.5 mmm180 -73.73 -20.38 60.53 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.775 0.321 . . . . 6.34 111.463 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.6 mpt_? -84.1 -41.87 16.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.265 0.555 . . . . 4.34 110.153 176.677 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 41.8 t30 -141.75 -77.04 0.28 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.604 -0.726 . . . . 4.57 109.573 -179.228 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.574 ' HA ' ' OG ' ' A' ' 25' ' ' SER . 8.5 t 174.1 -42.7 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.834 -1.075 . . . . 4.64 108.106 177.785 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.414 ' HA ' ' HD3' ' A' ' 30' ' ' LYS . 29.2 mmtp . . . . . 0 C--O 1.243 0.748 0 CA-C-N 115.097 -0.956 . . . . 4.92 108.68 175.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.515 ' HA ' ' CE2' ' A' ' 4' ' ' PHE . 15.2 tpt . . . . . 0 N--CA 1.477 0.879 0 N-CA-C 109.977 -0.379 . . . . 9.67 109.977 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 80.1 mt -145.3 -75.61 0.22 Allowed 'General case' 0 C--O 1.225 -0.235 0 N-CA-C 113.073 0.768 . . . . 7.24 113.073 -178.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 31.2 mm -101.85 -12.65 8.63 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.487 0 N-CA-C 113.287 0.847 . . . . 5.04 113.287 -162.472 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.515 ' CE2' ' HA ' ' A' ' 1' ' ' MET . 6.4 p90 -68.66 -3.13 10.88 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 113.203 0.816 . . . . 3.49 113.203 -172.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 57.4 t -73.54 -64.32 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 120.866 0.365 . . . . 3.11 111.026 179.512 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 69.6 t60 -87.56 67.25 9.27 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.297 0.57 . . . . 3.82 110.487 -178.566 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 12.7 tt -164.59 -37.82 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.824 -0.625 . . . . 2.53 110.631 175.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.446 ' O ' HG13 ' A' ' 12' ' ' ILE . 58.4 mt -79.32 -61.83 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 121.0 0.429 . . . . 2.76 110.568 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.481 ' HB3' ' HD3' ' A' ' 10' ' ' PRO . . . -57.67 -49.58 92.97 Favored Pre-proline 0 CA--C 1.539 0.524 0 N-CA-C 113.293 0.849 . . . . 1.68 113.293 -175.675 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.481 ' HD3' ' HB3' ' A' ' 9' ' ' ALA . 38.1 Cg_exo -58.12 -27.04 78.48 Favored 'Trans proline' 0 C--N 1.36 1.181 0 C-N-CA 122.137 1.892 . . . . 1.69 113.398 -177.407 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 92.5 t -82.85 -38.79 15.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 120.642 0.258 . . . . 1.58 110.435 178.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.492 ' HA ' ' SG ' ' A' ' 15' ' ' CYS . 61.9 mt -61.17 -41.93 91.36 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 CA-C-N 116.316 -0.402 . . . . 2.26 111.149 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.8 m -65.07 -17.45 64.46 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.864 0.364 . . . . 2.21 111.3 -179.503 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -98.43 -36.75 4.5 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.821 -0.704 . . . . 1.55 112.878 -177.357 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.492 ' SG ' ' HA ' ' A' ' 12' ' ' ILE . 14.2 p -85.95 -16.71 37.52 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.012 0.375 . . . . 2.15 112.012 -176.88 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.01 -8.49 56.31 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.117 0.484 . . . . 2.93 110.739 178.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 51.0 mm -65.63 -28.53 44.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.001 -0.545 . . . . 3.42 110.26 179.189 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.76 -45.38 89.86 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.133 -0.485 . . . . 1.62 110.823 177.482 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -75.73 -38.99 58.01 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.07 -0.514 . . . . 4.24 110.149 178.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -59.93 -43.89 94.66 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 115.858 -0.61 . . . . 4.22 110.852 -179.648 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.505 ' O ' ' HB3' ' A' ' 25' ' ' SER . 37.3 p -67.56 -28.45 67.8 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.078 -0.51 . . . . 1.49 111.316 -177.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.428 ' HA ' ' HB2' ' A' ' 26' ' ' ARG . 67.6 t80 -80.57 -49.95 10.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.76 0.314 . . . . 5.01 111.457 177.803 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 53.0 t90 -69.7 -29.13 66.47 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.021 -0.536 . . . . 4.84 111.506 -170.776 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 56.3 tp -115.04 -54.93 2.52 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 120.412 -0.515 . . . . 3.46 111.667 -176.23 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.505 ' HB3' ' O ' ' A' ' 21' ' ' SER . 25.2 t -71.24 -53.49 14.17 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 111.961 0.356 . . . . 3.54 111.961 -172.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.428 ' HB2' ' HA ' ' A' ' 22' ' ' TYR . 5.3 mmm180 -83.64 47.2 1.25 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.143 0.497 . . . . 6.34 112.021 -176.822 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.3 mmm180 -97.55 -20.7 17.53 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 107.971 -1.122 . . . . 4.34 107.971 168.344 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -130.6 -85.6 0.52 Allowed 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 114.314 -1.312 . . . . 4.57 108.967 179.504 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 14.8 m -156.9 149.85 23.79 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.363 -0.606 . . . . 4.64 109.363 179.41 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.477 ' OXT' ' HG3' ' A' ' 30' ' ' LYS . 24.1 pttm . . . . . 0 C--O 1.246 0.894 0 CA-C-O 118.363 -0.827 . . . . 4.92 110.094 175.61 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.6 mmt . . . . . 0 N--CA 1.491 1.593 0 CA-C-O 120.642 0.258 . . . . 9.67 111.26 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 15.5 mt -110.91 -169.92 1.54 Allowed 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.284 -0.416 . . . . 7.24 111.053 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.439 HG22 HG12 ' A' ' 5' ' ' VAL . 36.3 mm -62.02 114.01 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 CA-C-N 116.522 -0.308 . . . . 5.04 110.906 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -84.5 68.29 10.25 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.199 -0.455 . . . . 3.49 111.476 -179.475 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.439 HG12 HG22 ' A' ' 3' ' ' ILE . 2.9 p 176.28 -43.44 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 CA-C-N 115.874 -0.603 . . . . 3.11 110.916 179.659 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 62.5 t60 -70.2 -43.52 70.54 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-N 116.254 -0.43 . . . . 3.82 111.262 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.469 HG23 HG21 ' A' ' 11' ' ' VAL . 4.0 mp -77.9 -42.0 28.13 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 CA-C-N 116.504 -0.316 . . . . 2.53 111.421 -179.692 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.0 pt -80.0 74.99 0.76 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.307 0 CA-C-O 120.938 0.399 . . . . 2.76 111.623 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.848 ' HB3' ' HD3' ' A' ' 10' ' ' PRO . . . 178.56 -67.06 0.0 OUTLIER Pre-proline 0 CA--C 1.533 0.291 0 CA-C-N 115.927 -0.579 . . . . 1.68 111.07 179.489 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.848 ' HD3' ' HB3' ' A' ' 9' ' ' ALA . 74.3 Cg_endo -76.54 -37.32 1.35 Allowed 'Trans proline' 0 C--N 1.353 0.798 0 C-N-CA 122.732 2.288 . . . . 1.69 112.728 179.812 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.469 HG21 HG23 ' A' ' 7' ' ' ILE . 28.7 t -67.25 -29.43 45.86 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 CA-C-N 116.638 -0.256 . . . . 1.58 111.206 179.78 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 42.9 mt -62.19 -27.46 42.59 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 CA-C-N 116.501 -0.318 . . . . 2.26 111.576 179.666 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 69.6 m -50.87 -40.54 56.63 Favored 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 111.941 0.349 . . . . 2.21 111.941 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.84 -58.49 12.72 Favored Glycine 0 C--N 1.336 0.545 0 C-N-CA 121.086 -0.578 . . . . 1.55 113.158 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.9 p -66.25 -24.33 66.56 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 112.104 0.409 . . . . 2.15 112.104 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.98 -39.59 69.17 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 111.732 0.271 . . . . 2.93 111.732 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 32.0 mt -63.76 -48.01 88.4 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 CA-C-N 116.55 -0.296 . . . . 3.42 111.103 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.53 -37.86 79.48 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 116.413 -0.358 . . . . 1.62 111.415 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -64.26 -47.24 80.34 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.432 -0.349 . . . . 4.24 111.24 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -61.88 -51.9 66.29 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.368 -0.378 . . . . 4.22 111.243 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 22.2 p -58.44 -42.2 86.8 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.412 -0.358 . . . . 1.49 111.36 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 52.4 t80 -64.49 -45.15 88.54 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.454 -0.339 . . . . 5.01 111.138 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.482 ' CZ3' ' HD2' ' A' ' 27' ' ' ARG . 4.5 t90 -63.27 -42.0 99.09 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.368 -0.378 . . . . 4.84 111.04 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.4 mp -66.53 -33.74 76.36 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.236 -0.438 . . . . 3.46 111.234 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.2 t -54.56 -47.87 72.74 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.474 -0.33 . . . . 3.54 111.242 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 55.6 mmm-85 -64.6 -38.81 92.27 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.408 -0.36 . . . . 6.34 111.169 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.482 ' HD2' ' CZ3' ' A' ' 23' ' ' TRP . 0.0 OUTLIER -57.82 -48.85 78.55 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.452 -0.34 . . . . 4.34 111.3 179.936 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -142.3 -80.82 0.22 Allowed 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 116.518 -0.31 . . . . 4.57 110.979 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.6 t -171.13 164.66 7.39 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 120.846 0.355 . . . . 4.64 111.22 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.401 ' HD2' ' HA ' ' A' ' 30' ' ' LYS . 1.4 mmmp? . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.086 -0.959 . . . . 4.92 111.179 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.7 mmt . . . . . 0 N--CA 1.481 1.118 0 CA-C-O 120.713 0.292 . . . . 9.67 111.183 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 80.6 mt -83.22 51.93 2.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.325 0.583 . . . . 7.24 111.153 -178.114 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -90.49 -29.83 4.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.794 -0.639 . . . . 5.04 110.228 -179.638 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.492 ' O ' HG12 ' A' ' 8' ' ' ILE . 42.5 p90 -57.45 -31.36 65.85 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 116.096 -0.502 . . . . 3.49 112.084 -175.431 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 14.1 p -63.99 -24.29 35.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.146 0.498 . . . . 3.11 110.987 -178.015 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 10.9 t-160 -89.06 -1.99 58.35 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.22 -0.445 . . . . 3.82 110.811 -176.204 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.416 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -123.42 -39.96 1.32 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.511 0 O-C-N 122.025 -0.422 . . . . 2.53 111.457 -178.436 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.492 HG12 ' O ' ' A' ' 4' ' ' PHE . 42.4 pt -65.26 -31.04 52.12 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 N-CA-C 111.909 0.337 . . . . 2.76 111.909 -175.412 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.55 ' HB3' ' HD3' ' A' ' 10' ' ' PRO . . . -101.45 -57.97 0.11 Allowed Pre-proline 0 CA--C 1.544 0.723 0 N-CA-C 112.901 0.704 . . . . 1.68 112.901 -178.317 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.55 ' HD3' ' HB3' ' A' ' 9' ' ' ALA . 8.0 Cg_exo -73.25 -6.26 18.58 Favored 'Trans proline' 0 C--N 1.359 1.125 0 C-N-CA 122.738 2.292 . . . . 1.69 113.345 -172.419 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.416 ' HB ' ' O ' ' A' ' 7' ' ' ILE . 85.2 t -114.52 -53.68 4.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 120.843 0.354 . . . . 1.58 110.601 -178.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 52.8 mt -63.72 -22.3 30.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.89 -0.596 . . . . 2.26 111.436 -176.601 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 23.1 t -64.16 -16.4 61.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.024 0.44 . . . . 2.21 110.958 179.585 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.12 -30.52 75.87 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.915 -0.66 . . . . 1.55 113.205 -176.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 31.7 p -70.71 -15.73 62.73 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 111.901 0.334 . . . . 2.15 111.901 -175.372 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.57 -25.47 67.34 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.842 0.353 . . . . 2.93 111.645 179.492 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 45.0 mm -69.27 -27.18 33.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.184 0.516 . . . . 3.42 110.404 -178.729 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -97.19 -4.23 39.49 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.877 -0.601 . . . . 1.62 111.102 179.353 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -102.32 -50.27 3.66 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.135 0.493 . . . . 4.24 110.485 -177.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -69.51 -24.26 63.72 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.595 -0.729 . . . . 4.22 111.322 -177.011 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 31.4 p -63.4 -48.99 75.56 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 116.224 -0.443 . . . . 1.49 111.257 179.514 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.459 ' O ' ' HG2' ' A' ' 26' ' ' ARG . 54.5 t80 -78.29 -20.43 51.57 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.263 0.554 . . . . 5.01 110.092 -179.297 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 39.2 t90 -67.01 -48.23 69.05 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.659 -0.701 . . . . 4.84 109.454 178.486 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 94.0 mt -67.63 -33.65 75.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.355 -0.384 . . . . 3.46 111.906 -178.309 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.8 p -74.41 -15.43 60.92 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 111.735 0.272 . . . . 3.54 111.735 -177.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.459 ' HG2' ' O ' ' A' ' 22' ' ' TYR . 28.0 mmm-85 -85.75 -8.87 57.88 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.081 0.467 . . . . 6.34 109.97 173.254 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.63 -55.55 3.6 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.08 -0.509 . . . . 4.34 109.815 176.783 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 39.1 t30 -158.68 -62.51 0.08 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.946 -0.57 . . . . 4.57 110.068 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 15.1 t -152.06 177.52 10.4 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.074 -0.512 . . . . 4.64 109.757 -176.321 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.405 ' HA ' ' HD2' ' A' ' 30' ' ' LYS . 7.7 tptp . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.15 -0.929 . . . . 4.92 110.516 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 71.0 t80 . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.454 -0.572 . . . . 3.49 109.454 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.407 HG13 ' HD2' ' A' ' 6' ' ' HIS . 9.1 p -104.79 -24.32 4.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.332 -0.849 . . . . 3.11 110.308 179.619 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . 0.407 ' HD2' HG13 ' A' ' 5' ' ' VAL . 2.8 m-70 -101.04 24.67 9.03 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.812 -0.631 . . . . 3.82 110.962 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 5.1 mm -126.0 -32.79 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.019 -0.537 . . . . 2.53 110.816 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.764 ' HA ' HD13 ' A' ' 12' ' ' ILE . 11.1 pt -84.75 0.24 5.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.955 -0.566 . . . . 2.76 112.199 -179.154 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.587 ' HB3' ' HD3' ' A' ' 10' ' ' PRO . . . -119.15 -52.31 0.04 OUTLIER Pre-proline 0 CA--C 1.535 0.403 0 N-CA-C 112.626 0.602 . . . . 1.68 112.626 -179.59 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.587 ' HD3' ' HB3' ' A' ' 9' ' ' ALA . 3.0 Cg_exo -76.01 -31.32 5.06 Favored 'Trans proline' 0 C--N 1.353 0.777 0 C-N-CA 122.265 1.976 . . . . 1.69 113.19 -179.049 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 23.0 t -83.13 -58.96 3.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 112.042 0.386 . . . . 1.58 112.042 -179.065 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.764 HD13 ' HA ' ' A' ' 8' ' ' ILE . 1.8 mp -54.44 -44.85 68.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.384 -0.371 . . . . 2.26 111.58 -179.267 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 33.3 t -59.2 -29.84 67.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.555 -0.293 . . . . 2.21 111.14 -179.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -65.87 -56.07 16.42 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.714 -0.755 . . . . 1.55 112.484 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 26.6 p -71.68 -18.23 62.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.81 0.338 . . . . 2.15 110.817 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.24 -15.48 63.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 2.93 111.097 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 46.3 mm -69.52 -46.26 76.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.333 -0.394 . . . . 3.42 110.948 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.02 -27.34 68.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.936 0.398 . . . . 1.62 110.683 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 93.4 t80 -81.45 -57.81 3.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.989 -0.55 . . . . 4.24 110.952 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -54.28 -49.89 68.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.923 -0.58 . . . . 4.22 110.887 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 29.8 t -50.52 -49.86 54.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.934 -0.576 . . . . 1.49 110.338 179.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 59.8 t80 -61.65 -37.75 85.17 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.554 -0.748 . . . . 5.01 111.017 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 49.4 t90 -56.12 -67.65 0.28 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.967 -0.561 . . . . 4.84 111.586 -179.217 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.439 ' O ' ' HB2' ' A' ' 27' ' ' ARG . 3.8 pp -64.36 -26.1 68.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.471 -0.332 . . . . 3.46 110.989 -179.659 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 29.0 t -58.61 -27.79 65.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.983 0.42 . . . . 3.54 110.576 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.56 -32.97 66.47 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.813 -0.63 . . . . 6.34 111.218 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.439 ' HB2' ' O ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -52.23 -58.04 7.84 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.074 -0.512 . . . . 4.34 111.405 -179.719 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -148.3 -63.02 0.25 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.171 -0.468 . . . . 4.57 111.075 -179.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.0 t -157.73 175.42 13.92 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.853 -0.612 . . . . 4.64 110.859 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.281 -0.866 . . . . 4.92 110.468 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 27.1 t80 . . . . . 0 CA--C 1.531 0.238 0 CA-C-O 121.645 0.735 . . . . 3.49 110.723 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.3 p -174.5 -39.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.252 -0.885 . . . . 3.11 109.243 177.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 56.7 m80 -77.81 -17.63 57.24 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.652 -0.704 . . . . 3.82 110.979 179.194 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -93.71 -3.64 10.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 121.591 0.71 . . . . 2.53 110.075 -179.666 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 45.7 mt -95.36 -73.72 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.271 -0.422 . . . . 2.76 111.989 -175.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.443 ' HB3' ' HD3' ' A' ' 10' ' ' PRO . . . -65.54 -57.93 13.18 Favored Pre-proline 0 CA--C 1.54 0.586 0 N-CA-C 113.27 0.841 . . . . 1.68 113.27 -169.401 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.443 ' HD3' ' HB3' ' A' ' 9' ' ' ALA . 67.2 Cg_endo -74.5 8.7 2.12 Favored 'Trans proline' 0 C--N 1.359 1.088 0 C-N-CA 121.817 1.678 . . . . 1.69 113.043 -174.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 67.3 t -113.34 -52.68 5.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.278 -0.419 . . . . 1.58 110.999 178.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 75.9 mt -65.67 -34.85 73.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.801 0.334 . . . . 2.26 110.566 -179.41 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 32.4 t -68.26 -10.7 56.52 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 116.201 -0.454 . . . . 2.21 111.264 -179.16 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -76.8 -48.61 8.54 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.975 -0.631 . . . . 1.55 112.123 -179.306 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.0 p -78.97 -17.68 55.02 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.045 0.45 . . . . 2.15 110.572 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.05 -17.36 64.37 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.924 -0.58 . . . . 2.93 111.327 -179.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 50.8 mm -59.37 -42.14 86.56 Favored 'Isoleucine or valine' 0 C--O 1.236 0.351 0 CA-C-N 116.291 -0.413 . . . . 3.42 110.83 177.462 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.81 -30.45 65.51 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 121.215 0.531 . . . . 1.62 110.62 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 73.3 t80 -70.6 -42.09 71.45 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.619 -0.718 . . . . 4.24 110.209 179.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -70.29 -42.8 71.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.913 -0.585 . . . . 4.22 111.269 178.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.7 p -68.79 -26.64 65.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.807 0.336 . . . . 1.49 111.445 -176.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 43.4 t80 -71.06 -22.35 62.13 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 116.494 -0.321 . . . . 5.01 110.792 177.238 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 35.4 t90 -78.05 -43.2 29.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.958 0.408 . . . . 4.84 110.531 -179.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.5 pp -72.8 -10.35 59.69 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.925 0.393 . . . . 3.46 110.824 178.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.574 ' OG ' ' HA ' ' A' ' 29' ' ' THR . 36.1 t -68.24 -11.03 58.67 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 116.34 -0.391 . . . . 3.54 111.179 178.45 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 31.5 mmm180 -73.73 -20.38 60.53 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.775 0.321 . . . . 6.34 111.463 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.6 mpt_? -84.1 -41.87 16.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.265 0.555 . . . . 4.34 110.153 176.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 41.8 t30 -141.75 -77.04 0.28 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.604 -0.726 . . . . 4.57 109.573 -179.228 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.574 ' HA ' ' OG ' ' A' ' 25' ' ' SER . 8.5 t 174.1 -42.7 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.834 -1.075 . . . . 4.64 108.106 177.785 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.414 ' HA ' ' HD3' ' A' ' 30' ' ' LYS . 29.2 mmtp . . . . . 0 C--O 1.243 0.748 0 CA-C-N 115.097 -0.956 . . . . 4.92 108.68 175.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 6.4 p90 . . . . . 0 N--CA 1.467 0.404 0 N-CA-C 113.203 0.816 . . . . 3.49 113.203 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 57.4 t -73.54 -64.32 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 120.866 0.365 . . . . 3.11 111.026 179.512 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 69.6 t60 -87.56 67.25 9.27 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.297 0.57 . . . . 3.82 110.487 -178.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 12.7 tt -164.59 -37.82 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.824 -0.625 . . . . 2.53 110.631 175.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.446 ' O ' HG13 ' A' ' 12' ' ' ILE . 58.4 mt -79.32 -61.83 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 121.0 0.429 . . . . 2.76 110.568 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.481 ' HB3' ' HD3' ' A' ' 10' ' ' PRO . . . -57.67 -49.58 92.97 Favored Pre-proline 0 CA--C 1.539 0.524 0 N-CA-C 113.293 0.849 . . . . 1.68 113.293 -175.675 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.481 ' HD3' ' HB3' ' A' ' 9' ' ' ALA . 38.1 Cg_exo -58.12 -27.04 78.48 Favored 'Trans proline' 0 C--N 1.36 1.181 0 C-N-CA 122.137 1.892 . . . . 1.69 113.398 -177.407 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 92.5 t -82.85 -38.79 15.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 120.642 0.258 . . . . 1.58 110.435 178.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.492 ' HA ' ' SG ' ' A' ' 15' ' ' CYS . 61.9 mt -61.17 -41.93 91.36 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 CA-C-N 116.316 -0.402 . . . . 2.26 111.149 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.8 m -65.07 -17.45 64.46 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.864 0.364 . . . . 2.21 111.3 -179.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -98.43 -36.75 4.5 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.821 -0.704 . . . . 1.55 112.878 -177.357 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.492 ' SG ' ' HA ' ' A' ' 12' ' ' ILE . 14.2 p -85.95 -16.71 37.52 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.012 0.375 . . . . 2.15 112.012 -176.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.01 -8.49 56.31 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.117 0.484 . . . . 2.93 110.739 178.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 51.0 mm -65.63 -28.53 44.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.001 -0.545 . . . . 3.42 110.26 179.189 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.76 -45.38 89.86 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.133 -0.485 . . . . 1.62 110.823 177.482 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -75.73 -38.99 58.01 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.07 -0.514 . . . . 4.24 110.149 178.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -59.93 -43.89 94.66 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 115.858 -0.61 . . . . 4.22 110.852 -179.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.505 ' O ' ' HB3' ' A' ' 25' ' ' SER . 37.3 p -67.56 -28.45 67.8 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.078 -0.51 . . . . 1.49 111.316 -177.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.428 ' HA ' ' HB2' ' A' ' 26' ' ' ARG . 67.6 t80 -80.57 -49.95 10.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.76 0.314 . . . . 5.01 111.457 177.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 53.0 t90 -69.7 -29.13 66.47 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.021 -0.536 . . . . 4.84 111.506 -170.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 56.3 tp -115.04 -54.93 2.52 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 120.412 -0.515 . . . . 3.46 111.667 -176.23 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.505 ' HB3' ' O ' ' A' ' 21' ' ' SER . 25.2 t -71.24 -53.49 14.17 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 111.961 0.356 . . . . 3.54 111.961 -172.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.428 ' HB2' ' HA ' ' A' ' 22' ' ' TYR . 5.3 mmm180 -83.64 47.2 1.25 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.143 0.497 . . . . 6.34 112.021 -176.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.3 mmm180 -97.55 -20.7 17.53 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 107.971 -1.122 . . . . 4.34 107.971 168.344 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -130.6 -85.6 0.52 Allowed 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 114.314 -1.312 . . . . 4.57 108.967 179.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 14.8 m -156.9 149.85 23.79 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.363 -0.606 . . . . 4.64 109.363 179.41 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.477 ' OXT' ' HG3' ' A' ' 30' ' ' LYS . 24.1 pttm . . . . . 0 C--O 1.246 0.894 0 CA-C-O 118.363 -0.827 . . . . 4.92 110.094 175.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 16.4 t80 . . . . . 0 C--O 1.235 0.296 0 CA-C-O 120.987 0.422 . . . . 3.49 111.476 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 2.9 p 176.28 -43.44 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 CA-C-N 115.874 -0.603 . . . . 3.11 110.916 179.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 62.5 t60 -70.2 -43.52 70.54 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-N 116.254 -0.43 . . . . 3.82 111.262 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.469 HG23 HG21 ' A' ' 11' ' ' VAL . 4.0 mp -77.9 -42.0 28.13 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 CA-C-N 116.504 -0.316 . . . . 2.53 111.421 -179.692 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.0 pt -80.0 74.99 0.76 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.307 0 CA-C-O 120.938 0.399 . . . . 2.76 111.623 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.848 ' HB3' ' HD3' ' A' ' 10' ' ' PRO . . . 178.56 -67.06 0.0 OUTLIER Pre-proline 0 CA--C 1.533 0.291 0 CA-C-N 115.927 -0.579 . . . . 1.68 111.07 179.489 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.848 ' HD3' ' HB3' ' A' ' 9' ' ' ALA . 74.3 Cg_endo -76.54 -37.32 1.35 Allowed 'Trans proline' 0 C--N 1.353 0.798 0 C-N-CA 122.732 2.288 . . . . 1.69 112.728 179.812 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.469 HG21 HG23 ' A' ' 7' ' ' ILE . 28.7 t -67.25 -29.43 45.86 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 CA-C-N 116.638 -0.256 . . . . 1.58 111.206 179.78 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 42.9 mt -62.19 -27.46 42.59 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 CA-C-N 116.501 -0.318 . . . . 2.26 111.576 179.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 69.6 m -50.87 -40.54 56.63 Favored 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 111.941 0.349 . . . . 2.21 111.941 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.84 -58.49 12.72 Favored Glycine 0 C--N 1.336 0.545 0 C-N-CA 121.086 -0.578 . . . . 1.55 113.158 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.9 p -66.25 -24.33 66.56 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 112.104 0.409 . . . . 2.15 112.104 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.98 -39.59 69.17 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 111.732 0.271 . . . . 2.93 111.732 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 32.0 mt -63.76 -48.01 88.4 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 CA-C-N 116.55 -0.296 . . . . 3.42 111.103 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.53 -37.86 79.48 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 116.413 -0.358 . . . . 1.62 111.415 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -64.26 -47.24 80.34 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.432 -0.349 . . . . 4.24 111.24 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -61.88 -51.9 66.29 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.368 -0.378 . . . . 4.22 111.243 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 22.2 p -58.44 -42.2 86.8 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.412 -0.358 . . . . 1.49 111.36 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 52.4 t80 -64.49 -45.15 88.54 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.454 -0.339 . . . . 5.01 111.138 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.482 ' CZ3' ' HD2' ' A' ' 27' ' ' ARG . 4.5 t90 -63.27 -42.0 99.09 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.368 -0.378 . . . . 4.84 111.04 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.4 mp -66.53 -33.74 76.36 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.236 -0.438 . . . . 3.46 111.234 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.2 t -54.56 -47.87 72.74 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.474 -0.33 . . . . 3.54 111.242 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 55.6 mmm-85 -64.6 -38.81 92.27 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.408 -0.36 . . . . 6.34 111.169 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.482 ' HD2' ' CZ3' ' A' ' 23' ' ' TRP . 0.0 OUTLIER -57.82 -48.85 78.55 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.452 -0.34 . . . . 4.34 111.3 179.936 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.411 ' ND2' HG22 ' A' ' 29' ' ' THR . 48.6 t30 -142.3 -80.82 0.22 Allowed 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 116.518 -0.31 . . . . 4.57 110.979 -179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.411 HG22 ' ND2' ' A' ' 28' ' ' ASN . 7.6 t -171.13 164.66 7.39 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 120.846 0.355 . . . . 4.64 111.22 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.401 ' HD2' ' HA ' ' A' ' 30' ' ' LYS . 1.4 mmmp? . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.086 -0.959 . . . . 4.92 111.179 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.492 ' O ' HG12 ' A' ' 8' ' ' ILE . 42.5 p90 . . . . . 0 CA--C 1.534 0.341 0 N-CA-C 112.084 0.401 . . . . 3.49 112.084 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 14.1 p -63.99 -24.29 35.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.146 0.498 . . . . 3.11 110.987 -178.015 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 10.9 t-160 -89.06 -1.99 58.35 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.22 -0.445 . . . . 3.82 110.811 -176.204 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.416 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -123.42 -39.96 1.32 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.511 0 O-C-N 122.025 -0.422 . . . . 2.53 111.457 -178.436 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.492 HG12 ' O ' ' A' ' 4' ' ' PHE . 42.4 pt -65.26 -31.04 52.12 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 N-CA-C 111.909 0.337 . . . . 2.76 111.909 -175.412 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.55 ' HB3' ' HD3' ' A' ' 10' ' ' PRO . . . -101.45 -57.97 0.11 Allowed Pre-proline 0 CA--C 1.544 0.723 0 N-CA-C 112.901 0.704 . . . . 1.68 112.901 -178.317 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.55 ' HD3' ' HB3' ' A' ' 9' ' ' ALA . 8.0 Cg_exo -73.25 -6.26 18.58 Favored 'Trans proline' 0 C--N 1.359 1.125 0 C-N-CA 122.738 2.292 . . . . 1.69 113.345 -172.419 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.416 ' HB ' ' O ' ' A' ' 7' ' ' ILE . 85.2 t -114.52 -53.68 4.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 120.843 0.354 . . . . 1.58 110.601 -178.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 52.8 mt -63.72 -22.3 30.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.89 -0.596 . . . . 2.26 111.436 -176.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 23.1 t -64.16 -16.4 61.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.024 0.44 . . . . 2.21 110.958 179.585 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.12 -30.52 75.87 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.915 -0.66 . . . . 1.55 113.205 -176.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 31.7 p -70.71 -15.73 62.73 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 111.901 0.334 . . . . 2.15 111.901 -175.372 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.57 -25.47 67.34 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.842 0.353 . . . . 2.93 111.645 179.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 45.0 mm -69.27 -27.18 33.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.184 0.516 . . . . 3.42 110.404 -178.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -97.19 -4.23 39.49 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.877 -0.601 . . . . 1.62 111.102 179.353 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -102.32 -50.27 3.66 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.135 0.493 . . . . 4.24 110.485 -177.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -69.51 -24.26 63.72 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.595 -0.729 . . . . 4.22 111.322 -177.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 31.4 p -63.4 -48.99 75.56 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 116.224 -0.443 . . . . 1.49 111.257 179.514 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.459 ' O ' ' HG2' ' A' ' 26' ' ' ARG . 54.5 t80 -78.29 -20.43 51.57 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.263 0.554 . . . . 5.01 110.092 -179.297 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 39.2 t90 -67.01 -48.23 69.05 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.659 -0.701 . . . . 4.84 109.454 178.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 94.0 mt -67.63 -33.65 75.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.355 -0.384 . . . . 3.46 111.906 -178.309 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.8 p -74.41 -15.43 60.92 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 111.735 0.272 . . . . 3.54 111.735 -177.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.459 ' HG2' ' O ' ' A' ' 22' ' ' TYR . 28.0 mmm-85 -85.75 -8.87 57.88 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.081 0.467 . . . . 6.34 109.97 173.254 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.63 -55.55 3.6 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.08 -0.509 . . . . 4.34 109.815 176.783 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -158.68 -62.51 0.08 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.946 -0.57 . . . . 4.57 110.068 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 15.1 t -152.06 177.52 10.4 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.074 -0.512 . . . . 4.64 109.757 -176.321 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.405 ' HA ' ' HD2' ' A' ' 30' ' ' LYS . 7.7 tptp . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.15 -0.929 . . . . 4.92 110.516 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.479 ' HB2' ' CD1' ' A' ' 3' ' ' ILE . 19.7 ptp . . . . . 0 N--CA 1.482 1.157 0 CA-C-O 121.086 0.47 . . . . 9.67 110.686 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.64 HD13 HD13 ' A' ' 3' ' ' ILE . 0.0 OUTLIER -61.97 -16.86 54.45 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.899 -0.591 . . . . 7.24 111.688 -179.19 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.64 HD13 HD13 ' A' ' 2' ' ' LEU . 0.1 OUTLIER -89.43 24.0 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.974 0.416 . . . . 5.04 111.204 -179.899 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -113.26 -23.91 9.67 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.924 -0.58 . . . . 3.49 109.454 178.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.407 HG13 ' HD2' ' A' ' 6' ' ' HIS . 9.1 p -104.79 -24.32 4.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.332 -0.849 . . . . 3.11 110.308 179.619 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.407 ' HD2' HG13 ' A' ' 5' ' ' VAL . 2.8 m-70 -101.04 24.67 9.03 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.812 -0.631 . . . . 3.82 110.962 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 5.1 mm -126.0 -32.79 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.019 -0.537 . . . . 2.53 110.816 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.764 ' HA ' HD13 ' A' ' 12' ' ' ILE . 11.1 pt -84.75 0.24 5.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.955 -0.566 . . . . 2.76 112.199 -179.154 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.587 ' HB3' ' HD3' ' A' ' 10' ' ' PRO . . . -119.15 -52.31 0.04 OUTLIER Pre-proline 0 CA--C 1.535 0.403 0 N-CA-C 112.626 0.602 . . . . 1.68 112.626 -179.59 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.587 ' HD3' ' HB3' ' A' ' 9' ' ' ALA . 3.0 Cg_exo -76.01 -31.32 5.06 Favored 'Trans proline' 0 C--N 1.353 0.777 0 C-N-CA 122.265 1.976 . . . . 1.69 113.19 -179.049 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 23.0 t -83.13 -58.96 3.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 112.042 0.386 . . . . 1.58 112.042 -179.065 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.764 HD13 ' HA ' ' A' ' 8' ' ' ILE . 1.8 mp -54.44 -44.85 68.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.384 -0.371 . . . . 2.26 111.58 -179.267 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 33.3 t -59.2 -29.84 67.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.555 -0.293 . . . . 2.21 111.14 -179.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -65.87 -56.07 16.42 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.714 -0.755 . . . . 1.55 112.484 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 26.6 p -71.68 -18.23 62.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.81 0.338 . . . . 2.15 110.817 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.24 -15.48 63.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 2.93 111.097 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 46.3 mm -69.52 -46.26 76.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.333 -0.394 . . . . 3.42 110.948 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.02 -27.34 68.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.936 0.398 . . . . 1.62 110.683 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 93.4 t80 -81.45 -57.81 3.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.989 -0.55 . . . . 4.24 110.952 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -54.28 -49.89 68.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.923 -0.58 . . . . 4.22 110.887 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 29.8 t -50.52 -49.86 54.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.934 -0.576 . . . . 1.49 110.338 179.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 59.8 t80 -61.65 -37.75 85.17 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.554 -0.748 . . . . 5.01 111.017 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 49.4 t90 -56.12 -67.65 0.28 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.967 -0.561 . . . . 4.84 111.586 -179.217 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.439 ' O ' ' HB2' ' A' ' 27' ' ' ARG . 3.8 pp -64.36 -26.1 68.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.471 -0.332 . . . . 3.46 110.989 -179.659 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 29.0 t -58.61 -27.79 65.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.983 0.42 . . . . 3.54 110.576 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.56 -32.97 66.47 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.813 -0.63 . . . . 6.34 111.218 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.439 ' HB2' ' O ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -52.23 -58.04 7.84 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.074 -0.512 . . . . 4.34 111.405 -179.719 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -148.3 -63.02 0.25 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.171 -0.468 . . . . 4.57 111.075 -179.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.0 t -157.73 175.42 13.92 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.853 -0.612 . . . . 4.64 110.859 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.281 -0.866 . . . . 4.92 110.468 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 90.1 mtp . . . . . 0 N--CA 1.482 1.156 0 CA-C-O 120.81 0.338 . . . . 9.67 110.482 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 99.1 mt -140.25 37.33 1.9 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.175 0.512 . . . . 7.24 110.247 179.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 49.5 mm -83.92 -37.54 13.22 Favored 'Isoleucine or valine' 0 C--O 1.238 0.45 0 CA-C-N 116.342 -0.39 . . . . 5.04 111.112 -176.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 27.1 t80 -78.73 59.75 2.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.645 0.735 . . . . 3.49 110.723 -175.416 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.3 p -174.5 -39.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.252 -0.885 . . . . 3.11 109.243 177.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 56.7 m80 -77.81 -17.63 57.24 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.652 -0.704 . . . . 3.82 110.979 179.194 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -93.71 -3.64 10.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 121.591 0.71 . . . . 2.53 110.075 -179.666 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 45.7 mt -95.36 -73.72 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.271 -0.422 . . . . 2.76 111.989 -175.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.443 ' HB3' ' HD3' ' A' ' 10' ' ' PRO . . . -65.54 -57.93 13.18 Favored Pre-proline 0 CA--C 1.54 0.586 0 N-CA-C 113.27 0.841 . . . . 1.68 113.27 -169.401 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.443 ' HD3' ' HB3' ' A' ' 9' ' ' ALA . 67.2 Cg_endo -74.5 8.7 2.12 Favored 'Trans proline' 0 C--N 1.359 1.088 0 C-N-CA 121.817 1.678 . . . . 1.69 113.043 -174.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 67.3 t -113.34 -52.68 5.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.278 -0.419 . . . . 1.58 110.999 178.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 75.9 mt -65.67 -34.85 73.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.801 0.334 . . . . 2.26 110.566 -179.41 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 32.4 t -68.26 -10.7 56.52 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 116.201 -0.454 . . . . 2.21 111.264 -179.16 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -76.8 -48.61 8.54 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.975 -0.631 . . . . 1.55 112.123 -179.306 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.0 p -78.97 -17.68 55.02 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.045 0.45 . . . . 2.15 110.572 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.05 -17.36 64.37 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.924 -0.58 . . . . 2.93 111.327 -179.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 50.8 mm -59.37 -42.14 86.56 Favored 'Isoleucine or valine' 0 C--O 1.236 0.351 0 CA-C-N 116.291 -0.413 . . . . 3.42 110.83 177.462 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.81 -30.45 65.51 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 121.215 0.531 . . . . 1.62 110.62 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 73.3 t80 -70.6 -42.09 71.45 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.619 -0.718 . . . . 4.24 110.209 179.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -70.29 -42.8 71.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.913 -0.585 . . . . 4.22 111.269 178.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.7 p -68.79 -26.64 65.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.807 0.336 . . . . 1.49 111.445 -176.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 43.4 t80 -71.06 -22.35 62.13 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 116.494 -0.321 . . . . 5.01 110.792 177.238 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 35.4 t90 -78.05 -43.2 29.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.958 0.408 . . . . 4.84 110.531 -179.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.5 pp -72.8 -10.35 59.69 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.925 0.393 . . . . 3.46 110.824 178.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.574 ' OG ' ' HA ' ' A' ' 29' ' ' THR . 36.1 t -68.24 -11.03 58.67 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 116.34 -0.391 . . . . 3.54 111.179 178.45 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 31.5 mmm180 -73.73 -20.38 60.53 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.775 0.321 . . . . 6.34 111.463 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.6 mpt_? -84.1 -41.87 16.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.265 0.555 . . . . 4.34 110.153 176.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 41.8 t30 -141.75 -77.04 0.28 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.604 -0.726 . . . . 4.57 109.573 -179.228 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.574 ' HA ' ' OG ' ' A' ' 25' ' ' SER . 8.5 t 174.1 -42.7 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.834 -1.075 . . . . 4.64 108.106 177.785 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.414 ' HA ' ' HD3' ' A' ' 30' ' ' LYS . 29.2 mmtp . . . . . 0 C--O 1.243 0.748 0 CA-C-N 115.097 -0.956 . . . . 4.92 108.68 175.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.515 ' HA ' ' CE2' ' A' ' 4' ' ' PHE . 15.2 tpt . . . . . 0 N--CA 1.477 0.879 0 N-CA-C 109.977 -0.379 . . . . 9.67 109.977 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 80.1 mt -145.3 -75.61 0.22 Allowed 'General case' 0 C--O 1.225 -0.235 0 N-CA-C 113.073 0.768 . . . . 7.24 113.073 -178.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 31.2 mm -101.85 -12.65 8.63 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.487 0 N-CA-C 113.287 0.847 . . . . 5.04 113.287 -162.472 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.515 ' CE2' ' HA ' ' A' ' 1' ' ' MET . 6.4 p90 -68.66 -3.13 10.88 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 113.203 0.816 . . . . 3.49 113.203 -172.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 57.4 t -73.54 -64.32 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 120.866 0.365 . . . . 3.11 111.026 179.512 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 69.6 t60 -87.56 67.25 9.27 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.297 0.57 . . . . 3.82 110.487 -178.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 12.7 tt -164.59 -37.82 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.824 -0.625 . . . . 2.53 110.631 175.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.446 ' O ' HG13 ' A' ' 12' ' ' ILE . 58.4 mt -79.32 -61.83 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 121.0 0.429 . . . . 2.76 110.568 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.481 ' HB3' ' HD3' ' A' ' 10' ' ' PRO . . . -57.67 -49.58 92.97 Favored Pre-proline 0 CA--C 1.539 0.524 0 N-CA-C 113.293 0.849 . . . . 1.68 113.293 -175.675 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.481 ' HD3' ' HB3' ' A' ' 9' ' ' ALA . 38.1 Cg_exo -58.12 -27.04 78.48 Favored 'Trans proline' 0 C--N 1.36 1.181 0 C-N-CA 122.137 1.892 . . . . 1.69 113.398 -177.407 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 92.5 t -82.85 -38.79 15.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 120.642 0.258 . . . . 1.58 110.435 178.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.492 ' HA ' ' SG ' ' A' ' 15' ' ' CYS . 61.9 mt -61.17 -41.93 91.36 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 CA-C-N 116.316 -0.402 . . . . 2.26 111.149 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.8 m -65.07 -17.45 64.46 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.864 0.364 . . . . 2.21 111.3 -179.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -98.43 -36.75 4.5 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.821 -0.704 . . . . 1.55 112.878 -177.357 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.492 ' SG ' ' HA ' ' A' ' 12' ' ' ILE . 14.2 p -85.95 -16.71 37.52 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.012 0.375 . . . . 2.15 112.012 -176.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.01 -8.49 56.31 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.117 0.484 . . . . 2.93 110.739 178.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 51.0 mm -65.63 -28.53 44.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.001 -0.545 . . . . 3.42 110.26 179.189 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.76 -45.38 89.86 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.133 -0.485 . . . . 1.62 110.823 177.482 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -75.73 -38.99 58.01 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.07 -0.514 . . . . 4.24 110.149 178.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -59.93 -43.89 94.66 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 115.858 -0.61 . . . . 4.22 110.852 -179.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.505 ' O ' ' HB3' ' A' ' 25' ' ' SER . 37.3 p -67.56 -28.45 67.8 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.078 -0.51 . . . . 1.49 111.316 -177.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.428 ' HA ' ' HB2' ' A' ' 26' ' ' ARG . 67.6 t80 -80.57 -49.95 10.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.76 0.314 . . . . 5.01 111.457 177.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 53.0 t90 -69.7 -29.13 66.47 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.021 -0.536 . . . . 4.84 111.506 -170.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 56.3 tp -115.04 -54.93 2.52 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 120.412 -0.515 . . . . 3.46 111.667 -176.23 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.505 ' HB3' ' O ' ' A' ' 21' ' ' SER . 25.2 t -71.24 -53.49 14.17 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 111.961 0.356 . . . . 3.54 111.961 -172.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.428 ' HB2' ' HA ' ' A' ' 22' ' ' TYR . 5.3 mmm180 -83.64 47.2 1.25 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.143 0.497 . . . . 6.34 112.021 -176.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.3 mmm180 -97.55 -20.7 17.53 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 107.971 -1.122 . . . . 4.34 107.971 168.344 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -130.6 -85.6 0.52 Allowed 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 114.314 -1.312 . . . . 4.57 108.967 179.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 14.8 m -156.9 149.85 23.79 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.363 -0.606 . . . . 4.64 109.363 179.41 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.477 ' OXT' ' HG3' ' A' ' 30' ' ' LYS . 24.1 pttm . . . . . 0 C--O 1.246 0.894 0 CA-C-O 118.363 -0.827 . . . . 4.92 110.094 175.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.6 mmt . . . . . 0 N--CA 1.491 1.593 0 CA-C-O 120.642 0.258 . . . . 9.67 111.26 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 15.5 mt -110.91 -169.92 1.54 Allowed 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.284 -0.416 . . . . 7.24 111.053 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.439 HG22 HG12 ' A' ' 5' ' ' VAL . 36.3 mm -62.02 114.01 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 CA-C-N 116.522 -0.308 . . . . 5.04 110.906 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -84.5 68.29 10.25 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.199 -0.455 . . . . 3.49 111.476 -179.475 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.439 HG12 HG22 ' A' ' 3' ' ' ILE . 2.9 p 176.28 -43.44 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 CA-C-N 115.874 -0.603 . . . . 3.11 110.916 179.659 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 62.5 t60 -70.2 -43.52 70.54 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-N 116.254 -0.43 . . . . 3.82 111.262 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.469 HG23 HG21 ' A' ' 11' ' ' VAL . 4.0 mp -77.9 -42.0 28.13 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 CA-C-N 116.504 -0.316 . . . . 2.53 111.421 -179.692 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.0 pt -80.0 74.99 0.76 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.307 0 CA-C-O 120.938 0.399 . . . . 2.76 111.623 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.848 ' HB3' ' HD3' ' A' ' 10' ' ' PRO . . . 178.56 -67.06 0.0 OUTLIER Pre-proline 0 CA--C 1.533 0.291 0 CA-C-N 115.927 -0.579 . . . . 1.68 111.07 179.489 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.848 ' HD3' ' HB3' ' A' ' 9' ' ' ALA . 74.3 Cg_endo -76.54 -37.32 1.35 Allowed 'Trans proline' 0 C--N 1.353 0.798 0 C-N-CA 122.732 2.288 . . . . 1.69 112.728 179.812 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.469 HG21 HG23 ' A' ' 7' ' ' ILE . 28.7 t -67.25 -29.43 45.86 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 CA-C-N 116.638 -0.256 . . . . 1.58 111.206 179.78 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 42.9 mt -62.19 -27.46 42.59 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 CA-C-N 116.501 -0.318 . . . . 2.26 111.576 179.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 69.6 m -50.87 -40.54 56.63 Favored 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 111.941 0.349 . . . . 2.21 111.941 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.84 -58.49 12.72 Favored Glycine 0 C--N 1.336 0.545 0 C-N-CA 121.086 -0.578 . . . . 1.55 113.158 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.9 p -66.25 -24.33 66.56 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 112.104 0.409 . . . . 2.15 112.104 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.98 -39.59 69.17 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 111.732 0.271 . . . . 2.93 111.732 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 32.0 mt -63.76 -48.01 88.4 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 CA-C-N 116.55 -0.296 . . . . 3.42 111.103 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.53 -37.86 79.48 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 116.413 -0.358 . . . . 1.62 111.415 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -64.26 -47.24 80.34 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.432 -0.349 . . . . 4.24 111.24 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -61.88 -51.9 66.29 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.368 -0.378 . . . . 4.22 111.243 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 22.2 p -58.44 -42.2 86.8 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.412 -0.358 . . . . 1.49 111.36 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 52.4 t80 -64.49 -45.15 88.54 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.454 -0.339 . . . . 5.01 111.138 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.482 ' CZ3' ' HD2' ' A' ' 27' ' ' ARG . 4.5 t90 -63.27 -42.0 99.09 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.368 -0.378 . . . . 4.84 111.04 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.4 mp -66.53 -33.74 76.36 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.236 -0.438 . . . . 3.46 111.234 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.2 t -54.56 -47.87 72.74 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.474 -0.33 . . . . 3.54 111.242 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 55.6 mmm-85 -64.6 -38.81 92.27 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.408 -0.36 . . . . 6.34 111.169 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.482 ' HD2' ' CZ3' ' A' ' 23' ' ' TRP . 0.0 OUTLIER -57.82 -48.85 78.55 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.452 -0.34 . . . . 4.34 111.3 179.936 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.411 ' ND2' HG22 ' A' ' 29' ' ' THR . 48.6 t30 -142.3 -80.82 0.22 Allowed 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 116.518 -0.31 . . . . 4.57 110.979 -179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.411 HG22 ' ND2' ' A' ' 28' ' ' ASN . 7.6 t -171.13 164.66 7.39 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 120.846 0.355 . . . . 4.64 111.22 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.401 ' HD2' ' HA ' ' A' ' 30' ' ' LYS . 1.4 mmmp? . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.086 -0.959 . . . . 4.92 111.179 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.7 mmt . . . . . 0 N--CA 1.481 1.118 0 CA-C-O 120.713 0.292 . . . . 9.67 111.183 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 80.6 mt -83.22 51.93 2.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.325 0.583 . . . . 7.24 111.153 -178.114 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -90.49 -29.83 4.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.794 -0.639 . . . . 5.04 110.228 -179.638 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.492 ' O ' HG12 ' A' ' 8' ' ' ILE . 42.5 p90 -57.45 -31.36 65.85 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 116.096 -0.502 . . . . 3.49 112.084 -175.431 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 14.1 p -63.99 -24.29 35.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.146 0.498 . . . . 3.11 110.987 -178.015 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 10.9 t-160 -89.06 -1.99 58.35 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.22 -0.445 . . . . 3.82 110.811 -176.204 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.416 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -123.42 -39.96 1.32 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.511 0 O-C-N 122.025 -0.422 . . . . 2.53 111.457 -178.436 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.492 HG12 ' O ' ' A' ' 4' ' ' PHE . 42.4 pt -65.26 -31.04 52.12 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 N-CA-C 111.909 0.337 . . . . 2.76 111.909 -175.412 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.55 ' HB3' ' HD3' ' A' ' 10' ' ' PRO . . . -101.45 -57.97 0.11 Allowed Pre-proline 0 CA--C 1.544 0.723 0 N-CA-C 112.901 0.704 . . . . 1.68 112.901 -178.317 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.55 ' HD3' ' HB3' ' A' ' 9' ' ' ALA . 8.0 Cg_exo -73.25 -6.26 18.58 Favored 'Trans proline' 0 C--N 1.359 1.125 0 C-N-CA 122.738 2.292 . . . . 1.69 113.345 -172.419 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.416 ' HB ' ' O ' ' A' ' 7' ' ' ILE . 85.2 t -114.52 -53.68 4.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 120.843 0.354 . . . . 1.58 110.601 -178.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 52.8 mt -63.72 -22.3 30.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.89 -0.596 . . . . 2.26 111.436 -176.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 23.1 t -64.16 -16.4 61.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.024 0.44 . . . . 2.21 110.958 179.585 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.12 -30.52 75.87 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.915 -0.66 . . . . 1.55 113.205 -176.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 31.7 p -70.71 -15.73 62.73 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 111.901 0.334 . . . . 2.15 111.901 -175.372 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.57 -25.47 67.34 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.842 0.353 . . . . 2.93 111.645 179.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 45.0 mm -69.27 -27.18 33.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.184 0.516 . . . . 3.42 110.404 -178.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -97.19 -4.23 39.49 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.877 -0.601 . . . . 1.62 111.102 179.353 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -102.32 -50.27 3.66 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.135 0.493 . . . . 4.24 110.485 -177.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -69.51 -24.26 63.72 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.595 -0.729 . . . . 4.22 111.322 -177.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 31.4 p -63.4 -48.99 75.56 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 116.224 -0.443 . . . . 1.49 111.257 179.514 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.459 ' O ' ' HG2' ' A' ' 26' ' ' ARG . 54.5 t80 -78.29 -20.43 51.57 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.263 0.554 . . . . 5.01 110.092 -179.297 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 39.2 t90 -67.01 -48.23 69.05 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.659 -0.701 . . . . 4.84 109.454 178.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 94.0 mt -67.63 -33.65 75.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.355 -0.384 . . . . 3.46 111.906 -178.309 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.8 p -74.41 -15.43 60.92 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 111.735 0.272 . . . . 3.54 111.735 -177.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.459 ' HG2' ' O ' ' A' ' 22' ' ' TYR . 28.0 mmm-85 -85.75 -8.87 57.88 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.081 0.467 . . . . 6.34 109.97 173.254 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.63 -55.55 3.6 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.08 -0.509 . . . . 4.34 109.815 176.783 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -158.68 -62.51 0.08 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.946 -0.57 . . . . 4.57 110.068 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 15.1 t -152.06 177.52 10.4 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.074 -0.512 . . . . 4.64 109.757 -176.321 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.405 ' HA ' ' HD2' ' A' ' 30' ' ' LYS . 7.7 tptp . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.15 -0.929 . . . . 4.92 110.516 -179.701 . . . . . . . . 1 1 . 1 stop_ save_