data_2m60_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 2m60 _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 ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.851 0.358 . . . . 64.329999999999998 111.099 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 42.6 mmtt -57.42 -26.83 61.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 73.140000000000001 110.899 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.5 mt -95.76 -37.84 10.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 74.310000000000002 110.904 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 98.3 t -65.65 -30.41 50.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 70.319999999999993 111.138 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.0 -28.33 23.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 64.200000000000003 111.117 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 44.9 mmtm -105.65 -40.74 5.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.274 -0.421 . . . . 74.129999999999995 110.895 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -76.69 -73.1 0.3 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 75.319999999999993 110.906 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 117.53 176.2 17.29 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.73 -0.748 . . . . 60.450000000000003 112.536 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.626 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 5.8 m95 -68.23 -52.38 22.31 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.577 0.703 . . . . 74.340000000000003 110.924 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.626 ' HD2' ' N ' ' A' ' 13' ' ' TRP . 54.0 Cg_endo -69.79 -8.65 24.13 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.727 2.284 . . . . 74.129999999999995 112.385 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -102.86 -37.21 7.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 73.310000000000002 110.89 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 18.5 tt -77.58 -29.9 16.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 75.040000000000006 111.106 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -69.01 -20.79 64.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 74.409999999999997 110.85 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.4 mmtp -66.18 -32.35 73.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 73.120000000000005 110.913 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -143.52 42.75 1.49 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 74.299999999999997 110.882 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 73.5 t80 -61.42 -26.46 67.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.14 -0.482 . . . . 71.310000000000002 110.906 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 35.5 tptt -69.79 -30.85 68.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 75.049999999999997 110.917 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -92.05 -45.54 8.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 75.409999999999997 110.946 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 41.3 mt -61.01 -57.34 12.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 72.349999999999994 111.106 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 3.2 ttt -56.79 -25.98 56.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 71.340000000000003 110.887 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.3 mm100 -70.42 -44.22 68.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 71.019999999999996 110.884 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -52.96 -51.31 61.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 71.450000000000003 110.85 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 51.0 mm -54.26 -48.65 66.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 73.329999999999998 111.161 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.81 -19.95 63.69 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.766 -0.73 . . . . 74.319999999999993 112.485 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 55.0 tp60 -84.0 -28.77 27.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.884 0.373 . . . . 75.019999999999996 110.93 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 110.9 21.46 6.71 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.8 -0.714 . . . . 75.25 112.523 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 9.2 m0 -76.21 136.46 39.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.851 0.358 . . . . 75.010000000000005 110.971 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 31.0 p -61.1 165.11 4.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.277 -0.419 . . . . 73.5 111.165 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 66.3 mt -65.22 -25.19 36.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 75.0 111.13 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -83.77 -26.58 29.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 75.230000000000004 110.846 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.7 mm-40 -58.74 -46.49 87.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 63.450000000000003 110.926 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 5.4 mp -75.99 -52.31 18.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 73.120000000000005 111.137 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -52.04 -31.22 29.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.475 . . . . 75.040000000000006 110.864 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 57.2 mttt -89.3 -38.83 13.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.147 -0.479 . . . . 75.109999999999999 110.896 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 78.9 t90 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.439 . . . . 72.099999999999994 110.916 179.943 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.875 0.369 . . . . 71.140000000000001 111.098 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 19.8 mmmt -79.81 -34.43 39.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 70.150000000000006 110.877 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.6 mt -78.78 -43.75 24.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.264 -0.425 . . . . 75.310000000000002 110.888 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 89.8 t -66.25 -25.82 36.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 71.299999999999997 111.112 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.23 -22.22 51.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 74.25 111.071 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -115.24 -28.9 6.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 73.209999999999994 110.916 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -86.05 -62.28 1.56 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 73.25 110.873 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 114.2 172.78 17.94 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.766 -0.73 . . . . 75.120000000000005 112.473 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.618 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 5.8 m95 -67.71 -52.39 26.18 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.552 0.691 . . . . 75.5 110.92 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.618 ' HD2' ' N ' ' A' ' 13' ' ' TRP . 54.1 Cg_endo -69.74 -8.76 24.43 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.655 2.236 . . . . 73.310000000000002 112.379 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -101.81 -37.64 8.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 75.219999999999999 110.923 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -75.34 -29.84 21.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.147 -0.479 . . . . 75.230000000000004 111.173 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -76.24 -18.18 59.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 74.230000000000004 110.932 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 41.6 mmtt -74.62 -24.74 58.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 75.040000000000006 110.896 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -140.11 30.99 1.98 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 74.200000000000003 110.864 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -60.19 -38.94 84.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 75.219999999999999 110.95 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 47.7 mmtm -55.14 -36.15 65.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.057 -0.52 . . . . 74.239999999999995 110.886 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -87.61 -41.44 13.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 62.530000000000001 110.887 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 12.5 mt -60.03 -61.07 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 71.219999999999999 111.136 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 8.2 ptm -55.36 -26.88 43.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 75.430000000000007 110.872 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.1 mm100 -68.11 -30.61 69.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 75.439999999999998 110.912 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -71.34 -39.49 71.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 73.109999999999999 110.854 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 47.2 mm -57.41 -53.15 47.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 74.329999999999998 111.129 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.33 -19.43 46.81 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.759 -0.734 . . . . 60.299999999999997 112.509 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -85.27 -28.6 25.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.903 0.382 . . . . 72.219999999999999 110.96 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 104.97 28.41 5.6 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.753 -0.737 . . . . 61.020000000000003 112.5 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 7.5 m0 -79.84 137.32 36.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.819 0.342 . . . . 74.430000000000007 110.903 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 22.5 p -64.53 168.48 5.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 74.510000000000005 111.116 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.1 mp -67.13 -26.67 37.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 75.239999999999995 111.116 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 62.5 m-20 -82.05 -25.98 34.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 73.319999999999993 110.905 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -58.4 -47.54 83.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 72.450000000000003 110.95 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 5.3 mp -72.54 -51.81 26.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 74.209999999999994 111.115 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -51.98 -30.84 26.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 73.409999999999997 110.901 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 27.2 tptp -93.14 -25.67 17.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 74.109999999999999 110.921 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 57.9 t90 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 75.019999999999996 110.924 179.943 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.861 0.363 . . . . 62.25 111.091 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -69.6 -36.81 76.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 75.329999999999998 110.894 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.0 mt -81.02 -47.59 13.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 72.450000000000003 110.942 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 90.9 t -63.6 -26.72 41.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 73.219999999999999 111.149 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.92 -23.82 47.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 72.109999999999999 111.089 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.3 mtmm -113.82 -30.93 6.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 72.420000000000002 110.853 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -83.61 -63.49 1.34 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 74.530000000000001 110.845 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 113.71 173.7 18.54 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.715 -0.755 . . . . 72.109999999999999 112.465 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.621 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 5.8 m95 -67.93 -52.47 24.19 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.559 0.695 . . . . 74.019999999999996 110.952 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.621 ' HD2' ' N ' ' A' ' 13' ' ' TRP . 54.3 Cg_endo -69.68 -8.71 24.29 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.707 2.271 . . . . 62.119999999999997 112.339 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -102.52 -38.3 7.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.436 . . . . 73.040000000000006 110.851 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -75.67 -30.02 21.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.461 . . . . 72.239999999999995 111.144 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -72.76 -19.57 61.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 71.049999999999997 110.903 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.36 -32.09 73.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 75.409999999999997 110.899 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -144.26 39.98 1.33 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 74.420000000000002 110.858 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -61.46 -41.45 97.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 75.109999999999999 110.903 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 20.5 ttpp -57.22 -25.66 59.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.115 -0.493 . . . . 73.439999999999998 110.916 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -93.67 -36.57 12.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.451 . . . . 65.230000000000004 110.933 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 7.5 mt -70.15 -59.84 3.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 71.200000000000003 111.138 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -55.57 -26.06 41.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 63.520000000000003 110.896 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -69.62 -26.18 64.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.431 . . . . 73.030000000000001 110.865 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -73.94 -41.39 62.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 75.140000000000001 110.885 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 51.6 mm -57.1 -50.24 77.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 75.040000000000006 111.126 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.32 -19.55 59.87 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.748 -0.739 . . . . 73.129999999999995 112.493 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -82.96 -27.54 30.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.824 0.345 . . . . 72.519999999999996 110.928 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 109.85 19.84 7.96 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.74 -0.743 . . . . 71.230000000000004 112.517 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 6.9 m0 -76.6 138.45 40.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.886 0.374 . . . . 74.010000000000005 110.906 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 23.1 p -65.98 -179.79 0.79 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.244 -0.435 . . . . 73.430000000000007 111.155 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 5.1 mp -73.81 -42.96 53.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 74.430000000000007 111.149 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -67.19 -26.24 66.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 73.319999999999993 110.844 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -54.72 -51.77 64.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 74.409999999999997 110.914 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 5.3 mp -73.42 -49.76 34.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 74.25 111.11 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -52.11 -30.05 24.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 71.019999999999996 110.887 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.3 tppt? -95.18 -27.87 15.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 74.409999999999997 110.885 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 64.7 t90 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.248 -0.433 . . . . 74.519999999999996 110.921 179.901 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.862 0.363 . . . . 53.520000000000003 111.106 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 25.1 mttt -60.31 -46.67 89.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 70.299999999999997 110.937 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.1 mt -87.17 -35.11 18.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 73.109999999999999 110.941 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 86.5 t -67.07 -26.01 35.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 74.510000000000005 111.103 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.36 -21.66 50.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 74.120000000000005 111.07 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 33.6 mttm -116.06 -28.15 6.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 72.340000000000003 110.892 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -87.01 -61.81 1.64 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 74.099999999999994 110.887 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 114.08 172.97 18.09 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.762 -0.732 . . . . 72.340000000000003 112.52 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.619 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 5.5 m95 -68.1 -52.61 22.39 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.51 0.672 . . . . 74.099999999999994 110.899 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.619 ' HD2' ' N ' ' A' ' 13' ' ' TRP . 54.0 Cg_endo -69.75 -10.12 27.79 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.687 2.258 . . . . 72.129999999999995 112.356 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -99.7 -45.39 5.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.432 . . . . 74.420000000000002 110.841 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -65.28 -29.66 47.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 74.25 111.136 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.1 ptmm? -75.25 -18.23 60.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 75.25 110.892 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.8 ttmm -71.8 -25.8 62.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 74.349999999999994 110.896 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -144.03 35.11 1.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.434 . . . . 64.099999999999994 110.868 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -65.34 -30.88 71.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 73.299999999999997 110.914 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 34.4 tttp -54.88 -41.96 71.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 71.439999999999998 110.933 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 21.7 mm100 -84.11 -46.05 12.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 72.349999999999994 110.878 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 21.7 mt -51.97 -63.57 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 65.230000000000004 111.122 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 3.8 ptm -54.43 -28.02 41.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 70.109999999999999 110.867 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -76.08 -29.72 58.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.28 -0.418 . . . . 74.530000000000001 110.925 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -74.67 -31.48 61.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 71.109999999999999 110.899 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 57.1 mt -60.79 -51.72 69.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 65.310000000000002 111.137 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -61.49 -19.56 57.96 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.747 -0.739 . . . . 73.230000000000004 112.51 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 45.6 tp60 -80.46 -26.59 38.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.838 0.351 . . . . 73.209999999999994 110.916 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 106.56 26.77 5.76 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.776 -0.726 . . . . 75.109999999999999 112.522 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 16.3 m0 -81.64 133.97 35.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.778 0.323 . . . . 75.349999999999994 110.971 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 43.6 p -75.51 174.19 9.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.289 -0.414 . . . . 64.129999999999995 111.152 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 58.1 mt -59.61 -34.65 55.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 62.310000000000002 111.093 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -71.28 -38.16 71.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 74.319999999999993 110.882 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.18 -54.28 32.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.436 . . . . 65.239999999999995 110.913 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 5.3 mp -73.06 -47.64 47.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 74.030000000000001 111.14 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -52.98 -28.81 25.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.475 . . . . 72.010000000000005 110.906 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.6 mmmm -98.01 -25.27 15.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 74.209999999999994 110.902 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 47.0 t90 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 75.049999999999997 110.897 179.942 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.861 0.363 . . . . 74.049999999999997 111.142 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -57.91 -27.32 63.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 74.349999999999994 110.906 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.1 mt -103.01 -34.05 9.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 72.010000000000005 110.947 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 89.5 t -68.71 -28.78 41.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 73.200000000000003 111.14 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.92 -25.7 31.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 71.329999999999998 111.092 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.9 mptt -110.17 -37.37 5.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 74.409999999999997 110.891 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -78.77 -69.04 0.59 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 72.319999999999993 110.901 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 114.03 175.3 18.91 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.752 -0.737 . . . . 75.120000000000005 112.49 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.605 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 5.8 m95 -68.15 -52.41 22.81 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.616 0.722 . . . . 74.299999999999997 110.937 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.605 ' HD2' ' N ' ' A' ' 13' ' ' TRP . 53.4 Cg_endo -69.76 -8.55 23.89 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.709 2.272 . . . . 62.350000000000001 112.328 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -103.01 -36.9 8.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 75.140000000000001 110.9 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 17.7 tt -78.04 -29.79 15.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 75.040000000000006 111.107 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 13.1 pttp -69.28 -20.6 63.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 74.129999999999995 110.891 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 50.2 mmtt -64.64 -34.06 77.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 74.109999999999999 110.858 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -143.08 41.53 1.52 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 75.310000000000002 110.877 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 29.9 t80 -61.66 -31.87 72.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 74.450000000000003 110.931 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 67.5 mmtt -63.05 -25.75 68.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.487 . . . . 74.319999999999993 110.935 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.5 tp-100 -101.04 -33.82 10.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 62.43 110.912 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 11.9 mt -66.9 -59.32 3.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.436 . . . . 74.310000000000002 111.1 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 11.3 ptm -52.45 -29.73 26.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 74.430000000000007 110.831 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 20.0 mm-40 -63.13 -46.18 88.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 73.109999999999999 110.948 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -52.15 -50.59 61.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 75.109999999999999 110.885 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 50.8 mm -51.72 -50.64 30.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 73.209999999999994 111.141 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -69.45 -19.2 74.27 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.74 -0.743 . . . . 74.420000000000002 112.493 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -78.91 -34.64 44.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.829 0.347 . . . . 74.200000000000003 110.941 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 113.25 22.16 5.64 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.711 -0.757 . . . . 72.340000000000003 112.438 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 13.6 m0 -81.44 135.66 35.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.833 0.349 . . . . 74.239999999999995 110.946 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 60.4 p -63.01 171.24 2.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 75.129999999999995 111.134 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.4 mp -66.62 -28.57 43.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 71.430000000000007 111.147 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -81.94 -24.36 35.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 75.109999999999999 110.86 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.4 mm100 -61.44 -50.25 73.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 73.340000000000003 110.9 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 5.3 mp -74.18 -49.67 31.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 72.430000000000007 111.161 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -53.92 -27.67 32.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 73.129999999999995 110.905 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -96.94 -26.72 14.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 74.25 110.925 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 44.8 t90 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.448 . . . . 71.340000000000003 110.949 179.88 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.848 0.356 . . . . 75.420000000000002 111.103 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.41 -29.87 25.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 73.230000000000004 110.897 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.3 mt -80.75 -45.8 16.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 75.420000000000002 110.936 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 90.4 t -64.62 -24.11 34.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 75.329999999999998 111.128 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.51 -23.82 42.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 72.329999999999998 111.121 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 56.4 mmtt -115.36 -37.5 4.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 74.540000000000006 110.888 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -75.21 -67.99 0.6 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.277 -0.42 . . . . 74.209999999999994 110.879 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 113.15 175.47 19.32 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.77 -0.729 . . . . 72.510000000000005 112.46 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.62 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 5.6 m95 -68.2 -52.56 21.88 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.553 0.692 . . . . 75.430000000000007 110.95 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.62 ' HD2' ' N ' ' A' ' 13' ' ' TRP . 53.5 Cg_endo -69.82 -8.62 24.07 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.657 2.238 . . . . 73.219999999999999 112.299 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -102.51 -38.31 7.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.435 . . . . 75.540000000000006 110.861 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.3 tt -75.7 -29.87 20.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 74.209999999999994 111.173 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.8 pttp -69.85 -20.32 63.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.144 -0.48 . . . . 74.530000000000001 110.911 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.5 tmtm? -72.24 -23.82 61.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 74.540000000000006 110.924 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -145.18 39.82 1.21 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 73.439999999999998 110.905 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -67.51 -25.82 66.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.081 -0.509 . . . . 75.25 110.878 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.5 tptm -72.94 -25.26 60.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 72.430000000000007 110.908 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 17.8 tp60 -94.67 -48.92 5.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 74.219999999999999 110.911 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 10.0 mt -57.13 -60.16 2.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 71.299999999999997 111.124 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.8 tpt -55.47 -25.74 38.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 75.530000000000001 110.873 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -72.08 -37.69 69.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 74.209999999999994 110.949 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -59.08 -32.65 69.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 53.310000000000002 110.913 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 58.0 mt -51.59 -69.61 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 74.319999999999993 111.078 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -53.48 -37.9 56.85 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.686 -0.768 . . . . 62.43 112.517 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -53.91 -28.51 37.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.846 0.355 . . . . 65.5 110.927 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 103.63 22.14 9.23 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.683 -0.77 . . . . 30.43 112.487 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 9.2 m0 -82.46 136.64 34.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.824 0.345 . . . . 73.0 110.933 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 32.1 p -67.7 174.72 3.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 70.439999999999998 111.166 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.5 mp -69.13 -29.36 42.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 75.430000000000007 111.117 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -80.03 -25.9 40.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 75.409999999999997 110.835 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 32.7 mm-40 -56.82 -46.11 81.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 73.219999999999999 110.936 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 5.3 mp -73.67 -53.76 17.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 74.219999999999999 111.162 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -52.0 -30.06 23.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 75.329999999999998 110.945 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 69.0 mttt -91.34 -31.97 15.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.494 . . . . 74.239999999999995 110.867 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 73.7 t90 . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.226 -0.443 . . . . 72.239999999999995 110.937 179.92 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.84 0.353 . . . . 70.430000000000007 111.092 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.0 mtmt -55.23 -47.4 75.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 74.209999999999994 110.882 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.5 mt -79.53 -30.58 41.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 70.420000000000002 110.898 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 61.7 t -68.81 -26.67 33.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 74.25 111.152 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.42 -24.11 42.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 74.349999999999994 111.059 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 32.6 mttt -112.31 -39.23 4.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.275 -0.42 . . . . 64.209999999999994 110.867 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -76.96 -71.81 0.38 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 74.430000000000007 110.927 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 116.85 176.82 17.84 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.738 -0.744 . . . . 73.310000000000002 112.461 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.611 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 5.7 m95 -68.64 -52.55 18.67 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.545 0.688 . . . . 73.540000000000006 110.9 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.611 ' HD2' ' N ' ' A' ' 13' ' ' TRP . 54.1 Cg_endo -69.84 -8.61 24.03 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.664 2.243 . . . . 74.450000000000003 112.334 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -102.57 -40.54 6.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 74.5 110.885 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.5 tt -72.56 -22.05 20.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.151 -0.477 . . . . 74.25 111.131 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.82 -9.17 58.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 72.439999999999998 110.843 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 22.0 mtpp -90.93 -25.72 19.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 75.140000000000001 110.906 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -133.09 27.08 4.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 75.239999999999995 110.862 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -65.78 -25.46 67.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.129 -0.487 . . . . 74.439999999999998 110.925 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 33.4 ttmt -65.11 -32.83 74.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.079 -0.51 . . . . 74.340000000000003 110.921 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -95.78 -47.74 6.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 73.519999999999996 110.886 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 25.1 mt -51.63 -57.15 3.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.447 . . . . 74.439999999999998 111.182 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 34.4 ttp -56.5 -25.18 50.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 75.439999999999998 110.814 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -82.4 -28.11 31.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 70.409999999999997 110.942 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -73.93 -40.88 62.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 75.5 110.877 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 50.3 mm -59.16 -57.54 10.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 72.120000000000005 111.132 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -64.21 -19.22 63.75 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.741 -0.742 . . . . 64.129999999999995 112.472 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -74.45 -25.81 59.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.824 0.345 . . . . 73.129999999999995 110.914 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 106.64 22.27 7.8 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.703 -0.76 . . . . 74.140000000000001 112.493 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 6.1 m0 -84.43 138.32 32.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.831 0.348 . . . . 74.239999999999995 110.952 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 21.2 p -61.35 174.98 0.62 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 73.010000000000005 111.165 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.8 mp -71.78 -37.14 61.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 74.219999999999999 111.133 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -73.24 -25.79 60.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.445 . . . . 75.120000000000005 110.843 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 12.2 mm-40 -56.0 -50.9 69.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.443 . . . . 73.099999999999994 110.945 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 5.2 mp -72.58 -50.02 37.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 71.420000000000002 111.135 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -52.05 -30.29 25.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 72.549999999999997 110.873 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -95.03 -25.96 16.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 74.239999999999995 110.903 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 69.0 t90 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 75.420000000000002 110.925 179.93 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.884 0.373 . . . . 64.109999999999999 111.08 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 30.7 mmtt -58.95 -29.31 67.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 72.010000000000005 110.907 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.9 mt -84.58 -43.78 14.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 75.349999999999994 110.913 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 68.0 t -67.52 -25.0 32.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 62.539999999999999 111.119 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.82 -25.39 28.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 75.129999999999995 111.13 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 25.8 mmtm -113.37 -41.64 3.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 73.319999999999993 110.882 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -71.82 -72.93 0.2 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 63.020000000000003 110.87 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 125.49 174.65 13.98 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.741 -0.742 . . . . 64.120000000000005 112.478 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.617 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 5.0 m95 -67.89 -52.72 23.42 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.531 0.682 . . . . 70.239999999999995 110.949 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.617 ' HD2' ' N ' ' A' ' 13' ' ' TRP . 53.8 Cg_endo -69.73 -8.58 23.98 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.661 2.24 . . . . 72.409999999999997 112.366 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -102.89 -35.57 8.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 74.319999999999993 110.874 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.2 tp -79.08 -29.6 13.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 72.230000000000004 111.108 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 13.2 ptmm? -72.94 -19.44 61.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 72.129999999999995 110.883 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 43.6 tttp -75.93 -25.82 56.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 74.230000000000004 110.913 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -132.34 27.58 4.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 64.5 110.886 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 54.6 t80 -62.73 -27.0 68.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 72.530000000000001 110.931 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.1 tptm -68.58 -32.67 72.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 71.230000000000004 110.927 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 -89.3 -49.14 6.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 74.349999999999994 110.876 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 8.9 mt -55.51 -59.41 2.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.445 . . . . 72.150000000000006 111.144 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 1.9 ttt -56.08 -25.56 45.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 65.450000000000003 110.852 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -76.24 -25.74 55.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 74.329999999999998 110.894 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -76.94 -35.45 57.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 64.510000000000005 110.922 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 44.4 mm -58.78 -45.27 91.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.493 . . . . 71.230000000000004 111.144 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -69.14 -19.44 73.97 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.733 -0.746 . . . . 60.439999999999998 112.493 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -81.15 -28.73 34.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.85 0.357 . . . . 62.240000000000002 110.915 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 110.93 22.16 6.39 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.72 -0.752 . . . . 63.530000000000001 112.436 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 12.5 m0 -76.88 135.08 38.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.844 0.354 . . . . 72.140000000000001 110.891 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 15.5 p -68.79 171.89 7.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.269 -0.423 . . . . 74.109999999999999 111.097 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 55.8 mt -66.18 -25.29 35.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 73.25 111.061 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -83.36 -26.25 30.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 73.230000000000004 110.876 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 11.6 mm-40 -58.97 -47.34 85.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 74.400000000000006 110.91 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 5.3 mp -73.33 -53.72 17.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 73.349999999999994 111.187 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -51.96 -30.12 23.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 74.420000000000002 110.903 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.6 ttmm -92.59 -25.68 18.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.104 -0.498 . . . . 72.549999999999997 110.89 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 62.2 t90 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 75.239999999999995 110.895 179.93 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.843 0.354 . . . . 73.5 111.106 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.6 mmmm -71.37 -28.62 64.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.266 -0.425 . . . . 75.019999999999996 110.93 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.4 mt -84.08 -46.13 12.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 74.109999999999999 110.884 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 48.8 t -67.3 -18.77 24.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 73.150000000000006 111.101 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.75 -24.32 34.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 74.420000000000002 111.117 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.86 -45.71 2.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 72.129999999999995 110.899 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -63.07 -72.67 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.26 -0.427 . . . . 74.230000000000004 110.893 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 122.92 175.6 14.63 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.762 -0.732 . . . . 72.329999999999998 112.518 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.616 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 4.7 m95 -68.2 -52.9 20.61 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 121.555 0.693 . . . . 75.340000000000003 110.942 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.616 ' HD2' ' N ' ' A' ' 13' ' ' TRP . 53.9 Cg_endo -69.73 -8.63 24.1 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.695 2.263 . . . . 73.109999999999999 112.342 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -102.03 -40.91 6.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 72.519999999999996 110.869 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -72.08 -29.83 34.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 74.409999999999997 111.141 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 37.0 pttt -72.4 -19.67 61.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 74.209999999999994 110.914 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 31.2 mttp -70.86 -32.21 69.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 75.310000000000002 110.93 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -130.94 29.28 4.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 72.540000000000006 110.878 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 74.5 t80 -64.35 -29.69 70.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.103 -0.498 . . . . 74.530000000000001 110.962 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.63 -35.98 73.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.101 -0.499 . . . . 75.420000000000002 110.897 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 57.6 mt-30 -89.85 -45.39 9.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 64.310000000000002 110.915 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 15.0 mt -51.57 -64.06 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 73.549999999999997 111.192 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -54.98 -27.1 41.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 71.310000000000002 110.91 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 25.1 mm-40 -76.63 -28.54 56.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 72.239999999999995 110.946 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -74.24 -38.61 63.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 75.209999999999994 110.875 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 50.1 mm -56.98 -50.87 74.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 74.519999999999996 111.145 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -67.62 -19.41 71.04 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.788 -0.72 . . . . 72.340000000000003 112.469 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -78.25 -26.01 47.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.845 0.355 . . . . 70.120000000000005 110.917 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 110.73 19.47 7.78 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.748 -0.739 . . . . 50.140000000000001 112.45 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 11.1 m0 -78.49 135.64 37.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.85 0.357 . . . . 75.230000000000004 110.942 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 20.1 p -68.08 172.98 4.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 75.510000000000005 111.177 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.5 mp -67.27 -27.03 37.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 64.400000000000006 111.116 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -82.11 -26.19 33.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.185 -0.461 . . . . 64.439999999999998 110.82 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -57.24 -44.38 83.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 75.230000000000004 110.901 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 5.4 mp -77.01 -54.02 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 73.439999999999998 111.168 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -51.83 -30.05 21.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.167 -0.47 . . . . 75.430000000000007 110.937 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 24.3 mtpp -91.41 -25.87 19.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 62.43 110.941 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 78.3 t90 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 74.140000000000001 110.925 179.905 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.893 0.378 . . . . 62.32 111.141 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 29.8 mttp -61.9 -48.54 80.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 75.549999999999997 110.896 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.6 mt -82.4 -36.55 26.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.274 -0.421 . . . . 72.430000000000007 110.938 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 87.9 t -67.05 -26.6 37.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 64.310000000000002 111.107 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.38 -21.63 50.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 62.240000000000002 111.097 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -116.08 -28.04 6.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 75.230000000000004 110.84 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -87.54 -62.13 1.57 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 75.519999999999996 110.861 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 114.35 173.37 18.1 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.698 -0.763 . . . . 73.450000000000003 112.506 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.612 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 5.4 m95 -68.18 -52.64 21.73 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.603 0.716 . . . . 75.329999999999998 110.963 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.612 ' HD2' ' N ' ' A' ' 13' ' ' TRP . 53.6 Cg_endo -69.75 -8.59 23.99 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.661 2.241 . . . . 74.200000000000003 112.341 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -102.23 -39.8 7.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 75.140000000000001 110.871 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -73.26 -30.33 30.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 75.519999999999996 111.159 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -72.04 -19.86 61.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.472 . . . . 73.430000000000007 110.881 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.92 -22.6 64.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 74.430000000000007 110.941 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -147.83 37.41 0.89 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 73.439999999999998 110.874 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 38.2 t80 -73.22 -8.47 55.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 75.030000000000001 110.903 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.3 tptm -77.21 -25.0 51.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 73.140000000000001 110.922 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -109.15 -36.58 6.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 73.040000000000006 110.934 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 39.1 mt -61.37 -57.31 12.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 73.329999999999998 111.122 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 3.3 ttp -58.46 -22.39 54.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 70.150000000000006 110.885 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 24.4 mm-40 -81.68 -44.55 16.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 74.129999999999995 110.874 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -51.92 -34.78 43.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 74.5 110.875 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 60.9 mt -55.75 -46.85 79.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.485 . . . . 74.219999999999999 111.105 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -74.88 -19.31 79.98 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.773 -0.727 . . . . 55.539999999999999 112.512 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -75.67 -25.99 57.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.865 0.364 . . . . 75.439999999999998 110.888 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 111.9 20.36 6.84 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.723 -0.751 . . . . 72.409999999999997 112.464 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 16.0 m0 -82.49 136.67 34.84 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.833 0.349 . . . . 74.0 110.899 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 46.7 p -83.02 176.95 8.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.26 -0.427 . . . . 63.539999999999999 111.126 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 3.8 mp -61.18 -31.63 50.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 72.219999999999999 111.138 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -74.43 -34.28 63.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 75.540000000000006 110.867 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.08 -55.95 26.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 64.349999999999994 110.874 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 5.2 mp -69.96 -50.26 49.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 71.420000000000002 111.191 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -51.86 -36.91 50.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 74.140000000000001 110.899 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 39.5 tttp -86.64 -25.5 24.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 74.109999999999999 110.89 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 52.7 t90 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 72.439999999999998 110.935 179.923 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.844 0.354 . . . . 73.530000000000001 111.065 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 19.7 mmtp -70.52 -26.83 63.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 73.099999999999994 110.927 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.6 mt -84.86 -51.57 6.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 73.420000000000002 110.906 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 99.1 t -65.11 -23.77 33.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 61.409999999999997 111.117 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.14 -23.46 47.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 71.409999999999997 111.099 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? -116.47 -33.02 5.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 71.310000000000002 110.92 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -78.83 -64.32 1.21 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 74.450000000000003 110.899 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 116.65 173.37 16.83 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.732 -0.747 . . . . 64.310000000000002 112.49 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.621 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 5.9 m95 -67.99 -52.29 24.44 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.583 0.706 . . . . 75.299999999999997 110.904 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.621 ' HD2' ' N ' ' A' ' 13' ' ' TRP . 53.4 Cg_endo -69.82 -8.29 23.23 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.745 2.297 . . . . 75.540000000000006 112.314 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -103.3 -27.85 12.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 73.040000000000006 110.844 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.9 tp -88.01 -29.94 5.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 75.349999999999994 111.195 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 36.8 pttt -71.58 -20.12 62.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 73.230000000000004 110.904 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 28.0 mmtm -72.53 -25.99 61.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 75.200000000000003 110.902 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -140.38 36.7 1.87 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 65.099999999999994 110.889 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 64.7 t80 -69.23 -30.34 68.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 71.439999999999998 110.918 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.2 tppt? -69.95 -25.77 63.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 73.349999999999994 110.879 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 13.4 tp60 -94.47 -39.96 10.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 71.099999999999994 110.906 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 29.6 mt -69.49 -55.64 14.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 73.019999999999996 111.096 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -55.92 -25.31 42.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 73.430000000000007 110.898 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 22.2 mm-40 -71.16 -25.59 62.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 74.0 110.903 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -77.69 -40.43 41.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 74.209999999999994 110.915 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 50.5 mm -51.76 -46.68 39.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 74.239999999999995 111.112 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -75.13 -19.18 79.94 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.752 -0.737 . . . . 62.32 112.495 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -77.45 -30.13 53.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.843 0.354 . . . . 71.409999999999997 110.891 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 112.59 26.57 4.16 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.73 -0.748 . . . . 74.420000000000002 112.505 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 10.2 m0 -79.21 154.62 29.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.813 0.34 . . . . 73.340000000000003 110.907 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 20.2 p -89.66 162.74 15.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.447 . . . . 73.129999999999995 111.146 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 65.4 mt -58.96 -25.04 28.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 73.109999999999999 111.138 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -82.91 -31.79 27.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 62.420000000000002 110.898 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -56.78 -46.87 81.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 73.530000000000001 110.888 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 5.3 mp -74.79 -52.44 19.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 75.150000000000006 111.158 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -51.79 -30.11 21.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 73.439999999999998 110.852 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.1 mmtt -90.47 -28.01 18.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 74.099999999999994 110.913 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 92.5 t90 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 75.340000000000003 110.915 179.931 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.844 0.354 . . . . 70.209999999999994 111.102 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 19.0 mmtm -54.23 -32.75 56.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 65.010000000000005 110.919 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.3 mt -85.08 -37.67 20.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.451 . . . . 74.409999999999997 110.911 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 26.1 t -71.47 -14.71 17.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 60.350000000000001 111.163 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.7 -23.51 42.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 62.350000000000001 111.171 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -123.49 -48.26 1.95 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 74.040000000000006 110.89 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -58.67 -73.58 0.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 74.409999999999997 110.842 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 121.29 174.97 14.98 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.743 -0.742 . . . . 65.109999999999999 112.44 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.626 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 6.0 m95 -67.0 -52.4 31.56 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.615 0.722 . . . . 74.209999999999994 110.936 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.626 ' HD2' ' N ' ' A' ' 13' ' ' TRP . 54.3 Cg_endo -69.78 -8.51 23.79 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.655 2.237 . . . . 60.420000000000002 112.329 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -104.22 -28.81 11.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 65.209999999999994 110.855 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -89.3 -29.62 5.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.152 -0.477 . . . . 71.239999999999995 111.181 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 42.5 pttt -67.23 -21.31 65.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 75.340000000000003 110.905 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 52.9 mttm -63.54 -28.52 70.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 72.239999999999995 110.861 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -142.63 32.47 1.45 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 73.310000000000002 110.882 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 76.3 t80 -63.66 -26.12 68.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.466 . . . . 72.030000000000001 110.974 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -66.11 -32.45 73.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.058 -0.519 . . . . 73.349999999999994 110.875 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -92.43 -44.44 8.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 73.439999999999998 110.873 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 11.8 mt -54.81 -62.13 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 73.129999999999995 111.18 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 4.8 tmm? -55.98 -25.25 43.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 73.219999999999999 110.889 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -74.14 -26.64 60.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 61.420000000000002 110.907 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -75.02 -35.71 61.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 72.329999999999998 110.863 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 44.5 mm -52.33 -43.57 40.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.478 . . . . 73.219999999999999 111.16 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -70.93 -19.44 77.0 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.71 -0.757 . . . . 72.120000000000005 112.484 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 58.6 tp60 -81.53 -28.33 34.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.822 0.344 . . . . 74.230000000000004 110.89 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 110.79 26.97 4.51 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.753 -0.737 . . . . 72.439999999999998 112.457 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 19.4 m0 -83.02 133.04 35.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.869 0.366 . . . . 71.530000000000001 110.895 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 19.2 p -78.14 177.21 8.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 72.140000000000001 111.147 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.5 mp -60.85 -30.68 47.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 75.510000000000005 111.16 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -74.8 -35.68 62.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 61.149999999999999 110.873 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -53.84 -48.15 70.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 74.230000000000004 110.884 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 5.2 mp -79.01 -51.14 17.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 75.040000000000006 111.106 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -51.47 -30.65 20.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 75.439999999999998 110.866 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 55.9 mmtt -90.17 -42.07 11.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 75.230000000000004 110.882 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 64.3 t90 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.444 . . . . 73.439999999999998 110.923 179.925 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.867 0.365 . . . . 72.349999999999994 111.081 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 65.8 mmtt -77.68 -26.18 50.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 75.200000000000003 110.905 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.0 mt -88.02 -48.45 7.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.258 -0.428 . . . . 74.439999999999998 110.913 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 90.1 t -65.92 -27.96 42.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 75.430000000000007 111.148 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.96 -26.95 28.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 74.140000000000001 111.074 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 55.0 mmtt -110.48 -36.65 5.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 75.5 110.937 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -77.21 -68.77 0.58 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 75.519999999999996 110.911 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 120.81 173.93 14.93 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.792 -0.718 . . . . 71.430000000000007 112.503 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.616 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 5.9 m95 -67.74 -52.34 26.16 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-O 121.572 0.701 . . . . 70.25 110.932 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.616 ' HD2' ' N ' ' A' ' 13' ' ' TRP . 53.5 Cg_endo -69.78 -8.26 23.15 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.717 2.278 . . . . 65.519999999999996 112.342 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -105.12 -28.36 11.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 75.430000000000007 110.872 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.4 tp -86.45 -29.04 5.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 74.430000000000007 111.123 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 10.8 pttp -74.43 -19.13 60.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 74.519999999999996 110.878 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 36.3 tttm -76.81 -27.59 55.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.439 . . . . 61.5 110.902 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -132.13 29.94 4.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.261 -0.427 . . . . 74.299999999999997 110.88 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -66.03 -25.94 67.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.116 -0.493 . . . . 72.519999999999996 110.941 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.4 tttp -65.89 -32.17 73.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.494 . . . . 73.319999999999993 110.868 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 61.6 mt-30 -88.73 -54.7 4.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.436 . . . . 73.109999999999999 110.882 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 11.5 mt -51.63 -60.13 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 73.099999999999994 111.112 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 15.0 ttt -55.65 -25.67 40.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 63.210000000000001 110.862 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.6 mm100 -77.8 -33.89 52.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 74.040000000000006 110.905 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -71.5 -36.58 71.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 71.239999999999995 110.87 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 50.3 mm -56.19 -43.7 77.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 73.25 111.139 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -72.68 -19.71 79.31 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.783 -0.723 . . . . 73.120000000000005 112.486 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 34.0 tp60 -80.75 -26.37 37.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.874 0.369 . . . . 73.430000000000007 110.901 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 111.88 21.55 6.32 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.749 -0.739 . . . . 40.310000000000002 112.503 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 12.0 m0 -75.65 135.18 40.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.847 0.356 . . . . 74.510000000000005 110.94 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 82.6 p -72.22 171.0 12.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 72.510000000000005 111.153 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.2 mp -64.49 -25.65 38.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 74.430000000000007 111.141 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -80.11 -28.22 39.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 73.109999999999999 110.886 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 65.4 mm-40 -58.75 -50.73 72.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 73.319999999999993 110.923 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 5.3 mp -70.48 -51.82 34.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 74.129999999999995 111.098 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -51.78 -30.05 21.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.468 . . . . 75.340000000000003 110.899 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 18.5 tptp -91.59 -27.03 18.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 72.340000000000003 110.882 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 72.0 t90 . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.218 -0.446 . . . . 73.109999999999999 110.895 179.947 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.866 0.365 . . . . 72.209999999999994 111.133 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 11.5 mmmt -79.79 -26.56 40.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 74.150000000000006 110.919 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.5 mt -90.53 -43.48 10.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.256 -0.429 . . . . 72.450000000000003 110.889 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 91.6 t -66.33 -30.29 49.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.201 -0.454 . . . . 75.420000000000002 111.138 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.99 -28.88 18.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 71.530000000000001 111.109 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -107.35 -39.7 5.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 73.230000000000004 110.884 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -75.81 -72.31 0.32 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 72.400000000000006 110.922 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 124.48 175.32 14.29 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.697 -0.763 . . . . 74.109999999999999 112.468 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.611 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 5.4 m95 -68.38 -52.64 20.26 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.559 0.695 . . . . 73.409999999999997 110.918 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.611 ' HD2' ' N ' ' A' ' 13' ' ' TRP . 53.9 Cg_endo -69.72 -8.35 23.37 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.66 2.24 . . . . 74.25 112.395 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -105.4 -28.21 11.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 74.340000000000003 110.913 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -87.79 -28.67 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 53.310000000000002 111.142 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.4 pttm -74.81 -18.68 60.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 72.049999999999997 110.862 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 32.2 mmtt -74.67 -26.93 60.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 74.439999999999998 110.93 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -130.02 25.5 5.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 75.019999999999996 110.866 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -58.22 -24.78 60.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.188 -0.46 . . . . 72.120000000000005 110.91 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -65.29 -40.6 94.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.087 -0.506 . . . . 74.129999999999995 110.876 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 38.2 mm-40 -85.84 -46.0 11.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 72.209999999999994 110.928 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 7.9 mt -51.79 -63.71 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 74.239999999999995 111.076 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 67.8 mmm -56.36 -24.88 47.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 73.049999999999997 110.904 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -79.77 -24.66 41.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 75.310000000000002 110.93 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -79.47 -35.91 39.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 75.510000000000005 110.868 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 51.0 mm -62.05 -49.94 82.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.134 -0.485 . . . . 71.040000000000006 111.14 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -67.61 -19.61 71.22 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.726 -0.749 . . . . 70.349999999999994 112.455 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 45.1 tp60 -78.82 -27.97 44.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.818 0.342 . . . . 75.439999999999998 110.853 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 112.5 20.15 6.7 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.7 -0.762 . . . . 35.009999999999998 112.477 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 14.8 m0 -77.6 134.34 38.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.835 0.35 . . . . 74.450000000000003 110.961 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.5 p -67.96 173.09 4.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 64.510000000000005 111.178 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.3 mp -66.56 -25.21 34.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.289 -0.414 . . . . 70.340000000000003 111.134 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -82.97 -27.87 30.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.475 . . . . 74.25 110.89 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -56.01 -42.72 76.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 74.319999999999993 110.924 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 5.3 mp -80.3 -47.79 20.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 74.310000000000002 111.15 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -51.89 -29.99 22.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 73.510000000000005 110.822 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 25.6 tptp -91.79 -35.06 14.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 73.129999999999995 110.911 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 86.0 t90 . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.2 -0.454 . . . . 61.119999999999997 110.915 179.93 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.835 0.35 . . . . 73.140000000000001 111.082 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 20.1 mmmt -63.25 -25.79 68.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.27 -0.423 . . . . 74.0 110.878 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.3 mt -94.41 -47.33 6.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 74.319999999999993 110.924 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 59.9 t -66.73 -20.23 26.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 70.200000000000003 111.104 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.13 -25.35 31.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 74.140000000000001 111.131 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 25.0 mmmt -118.22 -41.71 2.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 75.439999999999998 110.908 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -66.37 -70.43 0.24 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.447 . . . . 62.439999999999998 110.867 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 121.39 174.18 14.77 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.772 -0.728 . . . . 60.32 112.51 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.611 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 5.7 m95 -67.84 -52.43 25.06 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.572 0.701 . . . . 73.329999999999998 110.985 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.611 ' HD2' ' N ' ' A' ' 13' ' ' TRP . 53.9 Cg_endo -69.82 -8.29 23.24 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.682 2.254 . . . . 71.430000000000007 112.338 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -102.96 -32.71 9.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 72.200000000000003 110.852 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.1 tp -81.96 -29.67 9.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 72.030000000000001 111.119 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.93 -19.53 61.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 75.310000000000002 110.884 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.36 -32.62 64.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 75.400000000000006 110.873 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -128.54 29.43 5.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 74.340000000000003 110.875 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 69.4 t80 -62.19 -28.35 69.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 73.329999999999998 110.923 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.7 mtpt -66.49 -34.28 77.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.088 -0.505 . . . . 74.109999999999999 110.864 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -88.27 -47.3 8.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 73.540000000000006 110.902 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.8 mt -54.17 -62.9 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 74.439999999999998 111.142 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.9 -25.35 42.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 73.230000000000004 110.882 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 -75.5 -27.81 58.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 73.430000000000007 110.913 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -73.13 -32.51 64.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 72.349999999999994 110.877 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 53.3 mt -59.98 -50.23 80.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 75.049999999999997 111.117 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -66.64 -19.52 69.2 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.732 -0.747 . . . . 62.340000000000003 112.513 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 56.4 tp60 -79.88 -27.61 40.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.86 0.362 . . . . 70.549999999999997 110.949 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 107.96 22.86 7.03 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.756 -0.735 . . . . 72.329999999999998 112.478 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 7.5 m0 -76.3 137.13 39.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.864 0.364 . . . . 75.439999999999998 110.914 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 28.9 p -71.59 164.13 26.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 75.140000000000001 111.112 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 51.5 mm -59.52 -25.22 30.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 65.200000000000003 111.162 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -82.11 -31.65 30.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.14 -0.482 . . . . 75.319999999999993 110.865 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 48.9 mm-40 -56.17 -48.88 75.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 73.0 110.903 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 5.3 mp -70.96 -54.31 18.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 64.200000000000003 111.115 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -51.93 -29.72 21.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 75.439999999999998 110.875 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 28.3 mmtp -91.57 -26.06 18.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 75.219999999999999 110.913 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 90.4 t90 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 75.540000000000006 110.955 179.896 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.087 0 CA-C-O 120.889 0.376 . . . . 71.319999999999993 111.097 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 30.4 mmtp -78.25 -33.99 49.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 75.129999999999995 110.893 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.8 mt -81.38 -44.8 17.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 75.439999999999998 110.889 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 83.9 t -67.63 -24.86 31.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 72.209999999999994 111.122 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.57 -23.92 43.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 74.230000000000004 111.118 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 57.2 mmtt -113.69 -35.07 5.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 74.219999999999999 110.935 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -78.5 -66.7 0.82 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 74.400000000000006 110.913 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 119.27 173.78 15.59 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.72 -0.752 . . . . 53.109999999999999 112.499 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.615 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 5.5 m95 -68.44 -52.63 19.89 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-O 121.57 0.7 . . . . 74.439999999999998 110.886 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.615 ' HD2' ' N ' ' A' ' 13' ' ' TRP . 53.4 Cg_endo -69.8 -8.98 24.97 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.633 2.222 . . . . 72.310000000000002 112.35 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -101.41 -43.98 5.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 72.319999999999993 110.888 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.5 tp -65.68 -30.03 48.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 63.25 111.085 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -73.92 -19.11 60.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 74.129999999999995 110.926 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 79.9 mttt -77.11 -26.36 53.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 74.329999999999998 110.921 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -131.37 27.55 4.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 65.109999999999999 110.892 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 58.3 t80 -64.61 -24.85 67.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 74.329999999999998 110.942 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.8 ttpt -67.39 -33.42 75.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.095 -0.502 . . . . 72.540000000000006 110.898 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 79.7 mm-40 -89.82 -53.48 4.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 61.200000000000003 110.898 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 7.3 mt -51.74 -56.94 4.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 74.219999999999999 111.155 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 13.9 tpt -56.88 -24.54 52.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 73.219999999999999 110.888 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 11.8 mm-40 -81.94 -29.57 32.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 73.129999999999995 110.894 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -74.97 -32.82 61.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 73.409999999999997 110.88 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 47.8 mt -58.41 -68.36 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 75.519999999999996 111.116 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -52.99 -28.47 32.66 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.722 -0.752 . . . . 71.219999999999999 112.499 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -64.75 -30.37 71.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.848 0.356 . . . . 75.329999999999998 110.887 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 106.42 32.15 3.78 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.713 -0.756 . . . . 64.340000000000003 112.497 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 6.8 m0 -85.94 156.37 20.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.83 0.348 . . . . 75.129999999999995 110.938 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 70.3 p -83.72 156.03 22.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 74.540000000000006 111.107 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 3.6 mp -57.86 -24.35 22.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 74.319999999999993 111.123 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 61.6 m-20 -85.69 -27.66 25.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.467 . . . . 71.209999999999994 110.918 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -60.3 -45.95 91.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 75.329999999999998 110.873 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 5.3 mp -72.77 -53.8 17.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 74.409999999999997 111.117 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -51.61 -30.55 21.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 75.329999999999998 110.89 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 21.9 mmmt -92.36 -25.14 18.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.492 . . . . 72.040000000000006 110.914 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 72.7 t90 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 73.540000000000006 110.944 179.893 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.907 0.384 . . . . 55.100000000000001 111.103 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.9 mmmt -62.78 -34.04 76.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 72.140000000000001 110.896 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.4 mt -82.01 -43.57 17.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 74.200000000000003 110.932 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 87.6 t -64.89 -25.03 36.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 74.109999999999999 111.132 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.44 -22.09 53.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 74.319999999999993 111.097 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 30.2 mmtp -116.82 -27.35 6.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 74.439999999999998 110.901 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -86.54 -60.27 2.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 75.319999999999993 110.874 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 112.46 173.02 18.98 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.741 -0.742 . . . . 64.540000000000006 112.457 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.621 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 5.8 m95 -68.16 -52.45 22.6 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.571 0.701 . . . . 74.400000000000006 110.897 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.621 ' HD2' ' N ' ' A' ' 13' ' ' TRP . 54.3 Cg_endo -69.76 -8.89 24.75 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.672 2.248 . . . . 75.310000000000002 112.355 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -101.59 -41.9 6.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 74.209999999999994 110.847 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 2.9 tp -69.14 -30.44 46.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 73.209999999999994 111.139 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.5 -19.82 61.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 63.210000000000001 110.904 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.0 tptm -62.11 -42.11 98.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.455 . . . . 75.310000000000002 110.885 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -132.33 36.23 3.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 75.109999999999999 110.868 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 62.5 t80 -61.99 -26.2 68.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.172 -0.467 . . . . 64.209999999999994 110.926 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 33.1 tttm -62.01 -40.55 96.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 74.230000000000004 110.876 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 23.4 tp60 -85.45 -44.16 12.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 75.030000000000001 110.892 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 11.1 mt -56.56 -59.88 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 72.519999999999996 111.136 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 13.3 tpt -56.04 -25.42 44.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 74.420000000000002 110.879 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -74.55 -25.91 59.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 75.299999999999997 110.935 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -75.42 -43.03 51.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 74.239999999999995 110.909 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 50.0 mm -52.56 -40.24 32.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.11 -0.495 . . . . 74.239999999999995 111.148 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -74.37 -19.53 79.81 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.74 -0.743 . . . . 73.319999999999993 112.48 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -82.98 -26.02 31.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.862 0.363 . . . . 74.25 110.909 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.15 20.27 9.9 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.743 -0.741 . . . . 63.450000000000003 112.501 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 6.2 m0 -71.46 138.74 49.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.854 0.359 . . . . 70.129999999999995 110.906 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 21.1 p -65.4 166.39 10.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.242 -0.435 . . . . 71.319999999999993 111.169 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.5 mp -66.7 -26.13 36.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 73.109999999999999 111.146 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 -82.43 -26.95 32.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 75.450000000000003 110.852 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 16.7 mm-40 -56.95 -44.98 83.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 74.099999999999994 110.929 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 5.4 mp -76.43 -47.92 28.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 74.129999999999995 111.118 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -52.38 -29.68 25.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 73.400000000000006 110.901 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -96.48 -25.27 15.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 73.129999999999995 110.93 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 46.9 t90 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.458 . . . . 73.519999999999996 110.916 179.932 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.898 0.38 . . . . 73.019999999999996 111.114 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 21.4 mmtp -55.84 -37.83 69.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 74.430000000000007 110.924 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.7 mt -81.15 -38.9 26.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 74.019999999999996 110.902 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 96.4 t -66.22 -26.04 37.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 74.409999999999997 111.151 179.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.65 -22.74 47.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 74.549999999999997 111.126 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 24.4 mmmt -114.46 -31.28 6.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 73.230000000000004 110.864 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -83.67 -64.05 1.24 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 75.010000000000005 110.91 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 115.33 173.63 17.69 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.768 -0.73 . . . . 63.5 112.544 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.612 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 5.8 m95 -67.99 -52.47 23.74 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.576 0.703 . . . . 74.420000000000002 110.924 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.612 ' HD2' ' N ' ' A' ' 13' ' ' TRP . 54.1 Cg_endo -69.67 -10.65 29.17 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.725 2.283 . . . . 65.540000000000006 112.361 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -99.74 -41.87 7.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 74.129999999999995 110.859 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.2 tp -71.22 -30.01 38.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 73.25 111.13 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -73.84 -19.48 60.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 73.329999999999998 110.902 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.72 -26.35 65.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 74.140000000000001 110.901 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -146.41 37.43 1.01 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.44 . . . . 75.430000000000007 110.86 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 51.0 t80 -63.65 -25.92 68.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 74.420000000000002 110.895 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.3 mtmt -66.16 -36.0 81.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 74.420000000000002 110.911 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 12.3 tp60 -87.45 -45.59 10.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 74.439999999999998 110.917 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 11.9 mt -54.77 -63.04 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 75.109999999999999 111.134 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 11.7 tpt -56.43 -25.32 49.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 73.109999999999999 110.864 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.3 mm100 -70.54 -26.32 63.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 73.109999999999999 110.933 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -72.64 -36.56 68.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 74.430000000000007 110.877 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 68.2 mt -54.92 -57.78 5.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 74.420000000000002 111.11 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -55.64 -28.34 51.46 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.715 -0.755 . . . . 70.409999999999997 112.486 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -73.45 -25.8 60.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.882 0.372 . . . . 72.239999999999995 110.932 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 102.23 20.44 12.38 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.73 -0.748 . . . . 75.200000000000003 112.511 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 9.1 m0 -72.47 140.88 48.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.85 0.357 . . . . 75.239999999999995 110.884 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 57.1 p -72.09 156.8 38.8 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.205 -0.452 . . . . 75.439999999999998 111.142 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 48.0 mm -56.4 -24.7 19.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 72.430000000000007 111.154 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -81.41 -36.09 29.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 73.5 110.858 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 -52.65 -47.29 67.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 71.129999999999995 110.928 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 5.1 mp -69.43 -54.56 19.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 75.519999999999996 111.128 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -52.34 -31.13 31.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 71.019999999999996 110.896 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.4 tppt? -88.67 -26.56 21.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 75.400000000000006 110.888 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 48.0 t90 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.237 -0.438 . . . . 64.420000000000002 110.971 179.896 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.824 0.345 . . . . 72.200000000000003 111.105 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 54.2 mttp -56.05 -36.6 68.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 72.239999999999995 110.907 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.0 mt -75.4 -38.31 59.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.241 -0.436 . . . . 74.209999999999994 110.936 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 87.9 t -67.64 -24.13 30.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 71.439999999999998 111.121 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.23 -20.9 58.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 63.100000000000001 111.09 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -116.72 -27.31 6.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 71.430000000000007 110.876 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -87.25 -60.65 1.92 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 62.109999999999999 110.834 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 113.15 172.1 18.26 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.787 -0.72 . . . . 73.209999999999994 112.484 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.617 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 5.8 m95 -67.83 -52.49 24.83 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.598 0.713 . . . . 75.209999999999994 110.929 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.617 ' HD2' ' N ' ' A' ' 13' ' ' TRP . 53.8 Cg_endo -69.77 -8.67 24.19 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.647 2.231 . . . . 75.0 112.355 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -101.51 -44.49 5.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 71.549999999999997 110.877 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 6.7 tp -64.6 -29.54 47.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 72.219999999999999 111.152 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.86 -18.75 60.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 74.019999999999996 110.916 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.61 -23.71 42.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 74.530000000000001 110.899 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -130.98 25.2 4.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 64.239999999999995 110.9 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -67.26 -25.7 66.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 63.130000000000003 110.966 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.0 mtpp -68.44 -23.78 64.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.108 -0.496 . . . . 71.439999999999998 110.9 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.16 -55.22 2.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 75.129999999999995 110.947 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 78.7 mt -50.96 -57.5 2.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.466 . . . . 72.140000000000001 111.096 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 6.3 tmm? -56.22 -24.63 43.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 71.549999999999997 110.868 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -83.88 -27.96 28.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 74.209999999999994 110.929 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -74.74 -32.56 62.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 74.409999999999997 110.89 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 44.3 mm -61.19 -54.09 40.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 74.150000000000006 111.159 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -58.6 -20.44 46.3 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.74 -0.743 . . . . 72.299999999999997 112.493 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 35.7 tp60 -78.92 -25.98 43.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.855 0.359 . . . . 63.310000000000002 110.886 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 112.09 20.8 6.56 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.769 -0.729 . . . . 71.140000000000001 112.515 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 13.7 m0 -79.33 136.14 36.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.801 0.334 . . . . 73.25 110.926 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 33.0 p -76.81 -172.82 2.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 74.219999999999999 111.127 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.4 mp -70.48 -44.47 77.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.448 . . . . 75.010000000000005 111.093 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -63.87 -29.42 70.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 73.019999999999996 110.863 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -55.93 -55.5 31.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 74.129999999999995 110.891 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 5.4 mp -76.57 -47.21 29.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 73.530000000000001 111.136 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 35.0 mm-40 -51.82 -30.26 22.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 53.240000000000002 110.905 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 51.9 tttt -96.14 -28.67 14.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 74.5 110.913 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 45.0 t90 . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.455 . . . . 75.319999999999993 110.903 179.921 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.86 0.362 . . . . 54.140000000000001 111.097 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 29.5 mmtp -74.33 -30.43 62.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 74.299999999999997 110.89 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.8 mt -83.25 -46.81 12.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 74.319999999999993 110.869 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 94.5 t -66.2 -32.5 58.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 74.329999999999998 111.101 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.39 -29.72 16.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.481 . . . . 71.209999999999994 111.087 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 21.7 mmmt -104.69 -39.96 6.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 73.439999999999998 110.891 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -77.74 -73.25 0.32 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 73.430000000000007 110.926 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 120.22 176.09 15.71 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.703 -0.76 . . . . 75.329999999999998 112.482 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.607 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 5.1 m95 -68.74 -52.79 17.28 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.604 0.716 . . . . 74.120000000000005 110.937 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.607 ' HD2' ' N ' ' A' ' 13' ' ' TRP . 53.6 Cg_endo -69.8 -8.83 24.61 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.682 2.255 . . . . 74.25 112.292 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -101.45 -48.19 4.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.299 -0.41 . . . . 74.010000000000005 110.859 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 17.7 tt -61.42 -30.08 47.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 74.420000000000002 111.14 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.32 -22.39 66.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.113 -0.494 . . . . 75.049999999999997 110.863 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.8 tmtm? -73.17 -25.94 60.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 74.209999999999994 110.836 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -138.65 41.21 2.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 74.349999999999994 110.916 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 33.5 t80 -76.4 -25.06 54.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 75.129999999999995 110.928 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.68 -29.67 68.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 74.540000000000006 110.896 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 41.7 mm-40 -93.27 -54.56 3.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 73.140000000000001 110.914 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 42.0 mt -51.61 -57.14 3.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 73.510000000000005 111.104 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 15.6 tpt -56.15 -25.21 45.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 75.010000000000005 110.9 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -83.44 -26.96 29.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 74.409999999999997 110.882 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -76.05 -36.96 58.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 71.5 110.899 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 48.7 mm -64.3 -48.28 86.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 72.019999999999996 111.154 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.95 -20.88 69.15 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.743 -0.741 . . . . 72.519999999999996 112.466 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 47.7 tp60 -79.77 -31.24 40.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.875 0.369 . . . . 74.430000000000007 110.961 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 112.35 23.07 5.59 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.707 -0.759 . . . . 62.299999999999997 112.477 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 5.7 m0 -75.14 147.0 40.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.781 0.324 . . . . 74.439999999999998 110.979 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 20.2 p -73.13 168.01 19.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 73.530000000000001 111.124 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.1 mp -71.15 -24.28 24.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 75.329999999999998 111.09 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -87.9 2.49 51.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 70.129999999999995 110.883 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.5 mm100 -91.92 -44.25 9.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 74.310000000000002 110.917 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 5.3 mp -74.45 -54.29 15.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 75.420000000000002 111.156 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -51.88 -30.19 22.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 75.209999999999994 110.884 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 13.4 mmmt -91.61 -26.07 18.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 75.340000000000003 110.91 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 53.3 t90 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.467 . . . . 75.239999999999995 110.934 179.937 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -129.06 -45.44 0.18 Allowed Glycine 0 N--CA 1.452 -0.257 0 CA-C-N 115.126 -0.943 . . . . 71.099999999999994 112.488 178.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -103.44 -25.47 13.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.784 0.326 . . . . 75.450000000000003 111.111 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 43.5 mm -61.34 -41.62 90.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 73.120000000000005 111.09 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.64 -40.42 91.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 64.329999999999998 111.099 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 42.6 mmtt -57.42 -26.83 61.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 73.140000000000001 110.899 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.5 mt -95.76 -37.84 10.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 74.310000000000002 110.904 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 98.3 t -65.65 -30.41 50.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 70.319999999999993 111.138 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.0 -28.33 23.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 64.200000000000003 111.117 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 44.9 mmtm -105.65 -40.74 5.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.274 -0.421 . . . . 74.129999999999995 110.895 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -76.69 -73.1 0.3 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 75.319999999999993 110.906 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 117.53 176.2 17.29 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.73 -0.748 . . . . 60.450000000000003 112.536 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.626 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 5.8 m95 -68.23 -52.38 22.31 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.577 0.703 . . . . 74.340000000000003 110.924 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.626 ' HD2' ' N ' ' A' ' 13' ' ' TRP . 54.0 Cg_endo -69.79 -8.65 24.13 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.727 2.284 . . . . 74.129999999999995 112.385 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -102.86 -37.21 7.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 73.310000000000002 110.89 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 18.5 tt -77.58 -29.9 16.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 75.040000000000006 111.106 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -69.01 -20.79 64.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 74.409999999999997 110.85 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.4 mmtp -66.18 -32.35 73.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 73.120000000000005 110.913 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -143.52 42.75 1.49 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 74.299999999999997 110.882 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 73.5 t80 -61.42 -26.46 67.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.14 -0.482 . . . . 71.310000000000002 110.906 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 35.5 tptt -69.79 -30.85 68.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 75.049999999999997 110.917 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -92.05 -45.54 8.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 75.409999999999997 110.946 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 41.3 mt -61.01 -57.34 12.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 72.349999999999994 111.106 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 3.2 ttt -56.79 -25.98 56.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 71.340000000000003 110.887 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.3 mm100 -70.42 -44.22 68.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 71.019999999999996 110.884 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -52.96 -51.31 61.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 71.450000000000003 110.85 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 51.0 mm -54.26 -48.65 66.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 73.329999999999998 111.161 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.81 -19.95 63.69 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.766 -0.73 . . . . 74.319999999999993 112.485 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 55.0 tp60 -84.0 -28.77 27.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.884 0.373 . . . . 75.019999999999996 110.93 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 110.9 21.46 6.71 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.8 -0.714 . . . . 75.25 112.523 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 9.2 m0 -76.21 136.46 39.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.851 0.358 . . . . 75.010000000000005 110.971 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 31.0 p -61.1 165.11 4.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.277 -0.419 . . . . 73.5 111.165 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 66.3 mt -65.22 -25.19 36.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 75.0 111.13 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -83.77 -26.58 29.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 75.230000000000004 110.846 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.7 mm-40 -58.74 -46.49 87.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 63.450000000000003 110.926 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 5.4 mp -75.99 -52.31 18.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 73.120000000000005 111.137 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -52.04 -31.22 29.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.475 . . . . 75.040000000000006 110.864 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 57.2 mttt -89.3 -38.83 13.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.147 -0.479 . . . . 75.109999999999999 110.896 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 78.9 t90 -59.39 -36.45 75.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.439 . . . . 72.099999999999994 110.916 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 28.3 tp -96.55 -59.31 1.85 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 65.310000000000002 110.922 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.3 tptm 52.02 40.91 29.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 71.109999999999999 110.879 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 30.1 ttt180 59.21 53.52 5.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 71.099999999999994 110.881 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 7.9 t-80 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 71.129999999999995 110.857 179.992 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 104.56 55.0 0.76 Allowed Glycine 0 N--CA 1.451 -0.308 0 CA-C-N 115.192 -0.913 . . . . 64.140000000000001 112.461 178.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 55.73 32.1 18.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.837 0.351 . . . . 74.340000000000003 111.133 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 46.3 mm -101.42 -24.98 3.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 72.329999999999998 111.077 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.67 -27.88 69.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 71.140000000000001 111.098 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 19.8 mmmt -79.81 -34.43 39.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 70.150000000000006 110.877 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.6 mt -78.78 -43.75 24.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.264 -0.425 . . . . 75.310000000000002 110.888 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 89.8 t -66.25 -25.82 36.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 71.299999999999997 111.112 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.23 -22.22 51.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 74.25 111.071 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -115.24 -28.9 6.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 73.209999999999994 110.916 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -86.05 -62.28 1.56 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 73.25 110.873 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 114.2 172.78 17.94 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.766 -0.73 . . . . 75.120000000000005 112.473 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.618 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 5.8 m95 -67.71 -52.39 26.18 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.552 0.691 . . . . 75.5 110.92 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.618 ' HD2' ' N ' ' A' ' 13' ' ' TRP . 54.1 Cg_endo -69.74 -8.76 24.43 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.655 2.236 . . . . 73.310000000000002 112.379 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -101.81 -37.64 8.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 75.219999999999999 110.923 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -75.34 -29.84 21.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.147 -0.479 . . . . 75.230000000000004 111.173 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -76.24 -18.18 59.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 74.230000000000004 110.932 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 41.6 mmtt -74.62 -24.74 58.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 75.040000000000006 110.896 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -140.11 30.99 1.98 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 74.200000000000003 110.864 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -60.19 -38.94 84.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 75.219999999999999 110.95 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 47.7 mmtm -55.14 -36.15 65.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.057 -0.52 . . . . 74.239999999999995 110.886 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -87.61 -41.44 13.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 62.530000000000001 110.887 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 12.5 mt -60.03 -61.07 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 71.219999999999999 111.136 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 8.2 ptm -55.36 -26.88 43.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 75.430000000000007 110.872 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.1 mm100 -68.11 -30.61 69.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 75.439999999999998 110.912 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -71.34 -39.49 71.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 73.109999999999999 110.854 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 47.2 mm -57.41 -53.15 47.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 74.329999999999998 111.129 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.33 -19.43 46.81 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.759 -0.734 . . . . 60.299999999999997 112.509 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -85.27 -28.6 25.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.903 0.382 . . . . 72.219999999999999 110.96 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 104.97 28.41 5.6 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.753 -0.737 . . . . 61.020000000000003 112.5 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 7.5 m0 -79.84 137.32 36.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.819 0.342 . . . . 74.430000000000007 110.903 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 22.5 p -64.53 168.48 5.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 74.510000000000005 111.116 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.1 mp -67.13 -26.67 37.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 75.239999999999995 111.116 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 62.5 m-20 -82.05 -25.98 34.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 73.319999999999993 110.905 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -58.4 -47.54 83.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 72.450000000000003 110.95 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 5.3 mp -72.54 -51.81 26.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 74.209999999999994 111.115 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -51.98 -30.84 26.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 73.409999999999997 110.901 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 27.2 tptp -93.14 -25.67 17.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 74.109999999999999 110.921 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 57.9 t90 -68.46 -37.71 80.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 75.019999999999996 110.924 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.56 -51.0 71.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 74.420000000000002 110.91 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.2 mmmp? -87.87 51.13 2.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 74.209999999999994 110.907 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -132.47 -43.2 0.93 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.247 -0.433 . . . . 75.519999999999996 110.895 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 27.8 t60 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 64.349999999999994 110.883 179.959 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -171.39 36.8 0.17 Allowed Glycine 0 N--CA 1.452 -0.256 0 CA-C-N 115.139 -0.937 . . . . 63.409999999999997 112.469 178.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 51.92 32.45 9.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.748 0.309 . . . . 75.420000000000002 111.091 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 34.2 mm -94.05 -25.15 4.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 74.209999999999994 111.107 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.1 -31.4 72.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 62.25 111.091 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -69.6 -36.81 76.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 75.329999999999998 110.894 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.0 mt -81.02 -47.59 13.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 72.450000000000003 110.942 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 90.9 t -63.6 -26.72 41.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 73.219999999999999 111.149 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.92 -23.82 47.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 72.109999999999999 111.089 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.3 mtmm -113.82 -30.93 6.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 72.420000000000002 110.853 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -83.61 -63.49 1.34 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 74.530000000000001 110.845 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 113.71 173.7 18.54 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.715 -0.755 . . . . 72.109999999999999 112.465 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.621 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 5.8 m95 -67.93 -52.47 24.19 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.559 0.695 . . . . 74.019999999999996 110.952 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.621 ' HD2' ' N ' ' A' ' 13' ' ' TRP . 54.3 Cg_endo -69.68 -8.71 24.29 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.707 2.271 . . . . 62.119999999999997 112.339 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -102.52 -38.3 7.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.436 . . . . 73.040000000000006 110.851 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -75.67 -30.02 21.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.461 . . . . 72.239999999999995 111.144 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -72.76 -19.57 61.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 71.049999999999997 110.903 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.36 -32.09 73.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 75.409999999999997 110.899 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -144.26 39.98 1.33 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 74.420000000000002 110.858 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -61.46 -41.45 97.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 75.109999999999999 110.903 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 20.5 ttpp -57.22 -25.66 59.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.115 -0.493 . . . . 73.439999999999998 110.916 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -93.67 -36.57 12.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.451 . . . . 65.230000000000004 110.933 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 7.5 mt -70.15 -59.84 3.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 71.200000000000003 111.138 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -55.57 -26.06 41.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 63.520000000000003 110.896 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -69.62 -26.18 64.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.431 . . . . 73.030000000000001 110.865 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -73.94 -41.39 62.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 75.140000000000001 110.885 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 51.6 mm -57.1 -50.24 77.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 75.040000000000006 111.126 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.32 -19.55 59.87 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.748 -0.739 . . . . 73.129999999999995 112.493 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -82.96 -27.54 30.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.824 0.345 . . . . 72.519999999999996 110.928 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 109.85 19.84 7.96 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.74 -0.743 . . . . 71.230000000000004 112.517 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 6.9 m0 -76.6 138.45 40.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.886 0.374 . . . . 74.010000000000005 110.906 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 23.1 p -65.98 -179.79 0.79 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.244 -0.435 . . . . 73.430000000000007 111.155 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 5.1 mp -73.81 -42.96 53.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 74.430000000000007 111.149 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -67.19 -26.24 66.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 73.319999999999993 110.844 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -54.72 -51.77 64.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 74.409999999999997 110.914 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 5.3 mp -73.42 -49.76 34.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 74.25 111.11 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -52.11 -30.05 24.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 71.019999999999996 110.887 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.3 tppt? -95.18 -27.87 15.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 74.409999999999997 110.885 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 64.7 t90 -69.62 -34.75 74.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.248 -0.433 . . . . 74.519999999999996 110.921 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 19.2 tp -94.95 -37.97 10.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.267 -0.424 . . . . 71.219999999999999 110.899 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 51.69 30.48 6.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 70.239999999999995 110.893 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 53.8 mtm180 57.14 46.55 18.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 73.239999999999995 110.852 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 86.8 t60 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 71.109999999999999 110.842 179.965 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 144.66 -24.1 1.98 Allowed Glycine 0 N--CA 1.451 -0.338 0 CA-C-N 115.188 -0.914 . . . . 72.010000000000005 112.472 178.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -107.46 41.1 1.56 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.756 0.312 . . . . 64.329999999999998 111.076 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 25.0 mm -105.04 -48.83 9.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 75.030000000000001 111.138 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.37 -25.24 64.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 53.520000000000003 111.106 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 25.1 mttt -60.31 -46.67 89.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 70.299999999999997 110.937 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.1 mt -87.17 -35.11 18.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 73.109999999999999 110.941 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 86.5 t -67.07 -26.01 35.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 74.510000000000005 111.103 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.36 -21.66 50.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 74.120000000000005 111.07 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 33.6 mttm -116.06 -28.15 6.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 72.340000000000003 110.892 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -87.01 -61.81 1.64 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 74.099999999999994 110.887 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 114.08 172.97 18.09 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.762 -0.732 . . . . 72.340000000000003 112.52 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.619 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 5.5 m95 -68.1 -52.61 22.39 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.51 0.672 . . . . 74.099999999999994 110.899 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.619 ' HD2' ' N ' ' A' ' 13' ' ' TRP . 54.0 Cg_endo -69.75 -10.12 27.79 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.687 2.258 . . . . 72.129999999999995 112.356 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -99.7 -45.39 5.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.432 . . . . 74.420000000000002 110.841 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -65.28 -29.66 47.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 74.25 111.136 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.1 ptmm? -75.25 -18.23 60.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 75.25 110.892 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.8 ttmm -71.8 -25.8 62.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 74.349999999999994 110.896 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -144.03 35.11 1.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.434 . . . . 64.099999999999994 110.868 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -65.34 -30.88 71.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 73.299999999999997 110.914 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 34.4 tttp -54.88 -41.96 71.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 71.439999999999998 110.933 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 21.7 mm100 -84.11 -46.05 12.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 72.349999999999994 110.878 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 21.7 mt -51.97 -63.57 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 65.230000000000004 111.122 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 3.8 ptm -54.43 -28.02 41.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 70.109999999999999 110.867 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -76.08 -29.72 58.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.28 -0.418 . . . . 74.530000000000001 110.925 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -74.67 -31.48 61.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 71.109999999999999 110.899 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 57.1 mt -60.79 -51.72 69.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 65.310000000000002 111.137 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -61.49 -19.56 57.96 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.747 -0.739 . . . . 73.230000000000004 112.51 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 45.6 tp60 -80.46 -26.59 38.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.838 0.351 . . . . 73.209999999999994 110.916 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 106.56 26.77 5.76 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.776 -0.726 . . . . 75.109999999999999 112.522 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 16.3 m0 -81.64 133.97 35.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.778 0.323 . . . . 75.349999999999994 110.971 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 43.6 p -75.51 174.19 9.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.289 -0.414 . . . . 64.129999999999995 111.152 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 58.1 mt -59.61 -34.65 55.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 62.310000000000002 111.093 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -71.28 -38.16 71.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 74.319999999999993 110.882 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.18 -54.28 32.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.436 . . . . 65.239999999999995 110.913 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 5.3 mp -73.06 -47.64 47.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 74.030000000000001 111.14 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -52.98 -28.81 25.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.475 . . . . 72.010000000000005 110.906 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.6 mmmm -98.01 -25.27 15.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 74.209999999999994 110.902 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 47.0 t90 -74.15 -34.33 63.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 75.049999999999997 110.897 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 21.9 tp -86.95 -44.17 11.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 72.430000000000007 110.95 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.38 -30.22 27.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 73.420000000000002 110.894 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 26.9 ttt180 -95.7 -26.57 15.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.43 . . . . 73.239999999999995 110.825 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 75.439999999999998 110.865 179.984 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -173.17 -48.54 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 CA-C-N 115.193 -0.912 . . . . 62.219999999999999 112.486 178.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -123.85 33.21 5.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.736 0.303 . . . . 73.439999999999998 111.09 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 33.0 mm -73.64 -42.23 55.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.244 -0.435 . . . . 72.129999999999995 111.131 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.4 -33.83 73.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 74.049999999999997 111.142 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -57.91 -27.32 63.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 74.349999999999994 110.906 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.1 mt -103.01 -34.05 9.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 72.010000000000005 110.947 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 89.5 t -68.71 -28.78 41.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 73.200000000000003 111.14 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.92 -25.7 31.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 71.329999999999998 111.092 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.9 mptt -110.17 -37.37 5.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 74.409999999999997 110.891 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -78.77 -69.04 0.59 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 72.319999999999993 110.901 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 114.03 175.3 18.91 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.752 -0.737 . . . . 75.120000000000005 112.49 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.605 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 5.8 m95 -68.15 -52.41 22.81 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.616 0.722 . . . . 74.299999999999997 110.937 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.605 ' HD2' ' N ' ' A' ' 13' ' ' TRP . 53.4 Cg_endo -69.76 -8.55 23.89 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.709 2.272 . . . . 62.350000000000001 112.328 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -103.01 -36.9 8.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 75.140000000000001 110.9 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 17.7 tt -78.04 -29.79 15.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 75.040000000000006 111.107 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 13.1 pttp -69.28 -20.6 63.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 74.129999999999995 110.891 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 50.2 mmtt -64.64 -34.06 77.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 74.109999999999999 110.858 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -143.08 41.53 1.52 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 75.310000000000002 110.877 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 29.9 t80 -61.66 -31.87 72.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 74.450000000000003 110.931 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 67.5 mmtt -63.05 -25.75 68.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.487 . . . . 74.319999999999993 110.935 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.5 tp-100 -101.04 -33.82 10.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 62.43 110.912 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 11.9 mt -66.9 -59.32 3.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.436 . . . . 74.310000000000002 111.1 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 11.3 ptm -52.45 -29.73 26.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 74.430000000000007 110.831 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 20.0 mm-40 -63.13 -46.18 88.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 73.109999999999999 110.948 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -52.15 -50.59 61.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 75.109999999999999 110.885 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 50.8 mm -51.72 -50.64 30.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 73.209999999999994 111.141 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -69.45 -19.2 74.27 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.74 -0.743 . . . . 74.420000000000002 112.493 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -78.91 -34.64 44.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.829 0.347 . . . . 74.200000000000003 110.941 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 113.25 22.16 5.64 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.711 -0.757 . . . . 72.340000000000003 112.438 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 13.6 m0 -81.44 135.66 35.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.833 0.349 . . . . 74.239999999999995 110.946 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 60.4 p -63.01 171.24 2.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 75.129999999999995 111.134 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.4 mp -66.62 -28.57 43.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 71.430000000000007 111.147 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -81.94 -24.36 35.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 75.109999999999999 110.86 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.4 mm100 -61.44 -50.25 73.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 73.340000000000003 110.9 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 5.3 mp -74.18 -49.67 31.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 72.430000000000007 111.161 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -53.92 -27.67 32.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 73.129999999999995 110.905 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -96.94 -26.72 14.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 74.25 110.925 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 44.8 t90 -68.62 -32.36 72.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.448 . . . . 71.340000000000003 110.949 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 19.0 tp -90.76 -38.44 13.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 72.219999999999999 110.969 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 29.6 mtmt -64.96 -36.39 84.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 75.400000000000006 110.921 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.0 tmm_? -83.23 -52.87 6.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 65.209999999999994 110.844 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 61.6 t-80 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 72.140000000000001 110.843 -179.988 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 155.56 -54.21 0.42 Allowed Glycine 0 N--CA 1.451 -0.327 0 CA-C-N 115.178 -0.919 . . . . 63.409999999999997 112.534 178.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -113.97 28.8 8.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.715 0.293 . . . . 65.010000000000005 111.072 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 42.6 mm -109.7 -28.4 2.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 72.430000000000007 111.106 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.75 -24.75 67.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 75.420000000000002 111.103 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.41 -29.87 25.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 73.230000000000004 110.897 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.3 mt -80.75 -45.8 16.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 75.420000000000002 110.936 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 90.4 t -64.62 -24.11 34.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 75.329999999999998 111.128 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.51 -23.82 42.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 72.329999999999998 111.121 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 56.4 mmtt -115.36 -37.5 4.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 74.540000000000006 110.888 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -75.21 -67.99 0.6 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.277 -0.42 . . . . 74.209999999999994 110.879 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 113.15 175.47 19.32 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.77 -0.729 . . . . 72.510000000000005 112.46 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.62 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 5.6 m95 -68.2 -52.56 21.88 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.553 0.692 . . . . 75.430000000000007 110.95 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.62 ' HD2' ' N ' ' A' ' 13' ' ' TRP . 53.5 Cg_endo -69.82 -8.62 24.07 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.657 2.238 . . . . 73.219999999999999 112.299 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -102.51 -38.31 7.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.435 . . . . 75.540000000000006 110.861 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.3 tt -75.7 -29.87 20.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 74.209999999999994 111.173 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.8 pttp -69.85 -20.32 63.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.144 -0.48 . . . . 74.530000000000001 110.911 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.5 tmtm? -72.24 -23.82 61.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 74.540000000000006 110.924 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -145.18 39.82 1.21 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 73.439999999999998 110.905 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -67.51 -25.82 66.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.081 -0.509 . . . . 75.25 110.878 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.5 tptm -72.94 -25.26 60.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 72.430000000000007 110.908 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 17.8 tp60 -94.67 -48.92 5.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 74.219999999999999 110.911 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 10.0 mt -57.13 -60.16 2.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 71.299999999999997 111.124 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.8 tpt -55.47 -25.74 38.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 75.530000000000001 110.873 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -72.08 -37.69 69.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 74.209999999999994 110.949 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -59.08 -32.65 69.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 53.310000000000002 110.913 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 58.0 mt -51.59 -69.61 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 74.319999999999993 111.078 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -53.48 -37.9 56.85 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.686 -0.768 . . . . 62.43 112.517 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -53.91 -28.51 37.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.846 0.355 . . . . 65.5 110.927 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 103.63 22.14 9.23 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.683 -0.77 . . . . 30.43 112.487 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 9.2 m0 -82.46 136.64 34.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.824 0.345 . . . . 73.0 110.933 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 32.1 p -67.7 174.72 3.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 70.439999999999998 111.166 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.5 mp -69.13 -29.36 42.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 75.430000000000007 111.117 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -80.03 -25.9 40.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 75.409999999999997 110.835 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 32.7 mm-40 -56.82 -46.11 81.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 73.219999999999999 110.936 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 5.3 mp -73.67 -53.76 17.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 74.219999999999999 111.162 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -52.0 -30.06 23.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 75.329999999999998 110.945 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 69.0 mttt -91.34 -31.97 15.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.494 . . . . 74.239999999999995 110.867 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 73.7 t90 -64.8 -38.22 90.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.226 -0.443 . . . . 72.239999999999995 110.937 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 19.6 tp -95.03 -39.58 10.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 75.230000000000004 110.92 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 22.3 mtpt 51.81 29.96 6.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 75.430000000000007 110.9 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.4 ttm180 54.32 47.35 23.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 74.150000000000006 110.89 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 63.399999999999999 110.893 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -129.39 19.38 5.38 Favored Glycine 0 N--CA 1.452 -0.286 0 CA-C-N 115.174 -0.921 . . . . 73.25 112.499 178.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -132.24 44.71 2.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.802 0.334 . . . . 70.150000000000006 111.113 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 25.4 mm -110.9 -39.38 3.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 71.140000000000001 111.161 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -54.86 -33.88 62.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.478 . . . . 70.430000000000007 111.092 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.0 mtmt -55.23 -47.4 75.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 74.209999999999994 110.882 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.5 mt -79.53 -30.58 41.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 70.420000000000002 110.898 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 61.7 t -68.81 -26.67 33.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 74.25 111.152 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.42 -24.11 42.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 74.349999999999994 111.059 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 32.6 mttt -112.31 -39.23 4.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.275 -0.42 . . . . 64.209999999999994 110.867 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -76.96 -71.81 0.38 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 74.430000000000007 110.927 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 116.85 176.82 17.84 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.738 -0.744 . . . . 73.310000000000002 112.461 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.611 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 5.7 m95 -68.64 -52.55 18.67 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.545 0.688 . . . . 73.540000000000006 110.9 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.611 ' HD2' ' N ' ' A' ' 13' ' ' TRP . 54.1 Cg_endo -69.84 -8.61 24.03 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.664 2.243 . . . . 74.450000000000003 112.334 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -102.57 -40.54 6.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 74.5 110.885 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.5 tt -72.56 -22.05 20.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.151 -0.477 . . . . 74.25 111.131 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.82 -9.17 58.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 72.439999999999998 110.843 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 22.0 mtpp -90.93 -25.72 19.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 75.140000000000001 110.906 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -133.09 27.08 4.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 75.239999999999995 110.862 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -65.78 -25.46 67.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.129 -0.487 . . . . 74.439999999999998 110.925 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 33.4 ttmt -65.11 -32.83 74.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.079 -0.51 . . . . 74.340000000000003 110.921 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -95.78 -47.74 6.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 73.519999999999996 110.886 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 25.1 mt -51.63 -57.15 3.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.447 . . . . 74.439999999999998 111.182 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 34.4 ttp -56.5 -25.18 50.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 75.439999999999998 110.814 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -82.4 -28.11 31.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 70.409999999999997 110.942 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -73.93 -40.88 62.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 75.5 110.877 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 50.3 mm -59.16 -57.54 10.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 72.120000000000005 111.132 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -64.21 -19.22 63.75 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.741 -0.742 . . . . 64.129999999999995 112.472 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -74.45 -25.81 59.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.824 0.345 . . . . 73.129999999999995 110.914 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 106.64 22.27 7.8 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.703 -0.76 . . . . 74.140000000000001 112.493 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 6.1 m0 -84.43 138.32 32.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.831 0.348 . . . . 74.239999999999995 110.952 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 21.2 p -61.35 174.98 0.62 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 73.010000000000005 111.165 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.8 mp -71.78 -37.14 61.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 74.219999999999999 111.133 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -73.24 -25.79 60.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.445 . . . . 75.120000000000005 110.843 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 12.2 mm-40 -56.0 -50.9 69.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.443 . . . . 73.099999999999994 110.945 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 5.2 mp -72.58 -50.02 37.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 71.420000000000002 111.135 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -52.05 -30.29 25.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 72.549999999999997 110.873 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -95.03 -25.96 16.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 74.239999999999995 110.903 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 69.0 t90 -72.45 -38.46 68.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 75.420000000000002 110.925 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.46 -50.36 71.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 74.409999999999997 110.901 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 41.4 mtmt -90.85 48.38 1.52 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 74.420000000000002 110.894 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.56 -41.14 1.21 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 73.430000000000007 110.903 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 72.200000000000003 110.86 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -112.54 42.52 1.94 Allowed Glycine 0 N--CA 1.451 -0.3 0 CA-C-N 115.138 -0.937 . . . . 34.100000000000001 112.481 178.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 52.75 34.52 16.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.78 0.324 . . . . 64.299999999999997 111.099 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 46.2 mm -99.52 -35.2 4.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 75.510000000000005 111.077 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.93 -45.19 82.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 64.109999999999999 111.08 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 30.7 mmtt -58.95 -29.31 67.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 72.010000000000005 110.907 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.9 mt -84.58 -43.78 14.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 75.349999999999994 110.913 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 68.0 t -67.52 -25.0 32.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 62.539999999999999 111.119 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.82 -25.39 28.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 75.129999999999995 111.13 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 25.8 mmtm -113.37 -41.64 3.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 73.319999999999993 110.882 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -71.82 -72.93 0.2 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 63.020000000000003 110.87 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 125.49 174.65 13.98 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.741 -0.742 . . . . 64.120000000000005 112.478 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.617 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 5.0 m95 -67.89 -52.72 23.42 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.531 0.682 . . . . 70.239999999999995 110.949 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.617 ' HD2' ' N ' ' A' ' 13' ' ' TRP . 53.8 Cg_endo -69.73 -8.58 23.98 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.661 2.24 . . . . 72.409999999999997 112.366 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -102.89 -35.57 8.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 74.319999999999993 110.874 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.2 tp -79.08 -29.6 13.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 72.230000000000004 111.108 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 13.2 ptmm? -72.94 -19.44 61.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 72.129999999999995 110.883 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 43.6 tttp -75.93 -25.82 56.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 74.230000000000004 110.913 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -132.34 27.58 4.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 64.5 110.886 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 54.6 t80 -62.73 -27.0 68.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 72.530000000000001 110.931 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.1 tptm -68.58 -32.67 72.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 71.230000000000004 110.927 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 -89.3 -49.14 6.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 74.349999999999994 110.876 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 8.9 mt -55.51 -59.41 2.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.445 . . . . 72.150000000000006 111.144 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 1.9 ttt -56.08 -25.56 45.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 65.450000000000003 110.852 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -76.24 -25.74 55.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 74.329999999999998 110.894 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -76.94 -35.45 57.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 64.510000000000005 110.922 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 44.4 mm -58.78 -45.27 91.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.493 . . . . 71.230000000000004 111.144 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -69.14 -19.44 73.97 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.733 -0.746 . . . . 60.439999999999998 112.493 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -81.15 -28.73 34.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.85 0.357 . . . . 62.240000000000002 110.915 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 110.93 22.16 6.39 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.72 -0.752 . . . . 63.530000000000001 112.436 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 12.5 m0 -76.88 135.08 38.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.844 0.354 . . . . 72.140000000000001 110.891 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 15.5 p -68.79 171.89 7.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.269 -0.423 . . . . 74.109999999999999 111.097 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 55.8 mt -66.18 -25.29 35.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 73.25 111.061 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -83.36 -26.25 30.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 73.230000000000004 110.876 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 11.6 mm-40 -58.97 -47.34 85.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 74.400000000000006 110.91 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 5.3 mp -73.33 -53.72 17.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 73.349999999999994 111.187 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -51.96 -30.12 23.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 74.420000000000002 110.903 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.6 ttmm -92.59 -25.68 18.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.104 -0.498 . . . . 72.549999999999997 110.89 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 62.2 t90 -67.46 -39.56 85.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 75.239999999999995 110.895 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -52.64 -50.51 63.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.431 . . . . 72.430000000000007 110.915 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 23.8 mtpp -56.06 -26.84 50.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 74.519999999999996 110.882 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.42 -43.79 22.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 74.140000000000001 110.869 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 43.6 t-80 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 74.219999999999999 110.842 179.966 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 165.71 -39.91 0.27 Allowed Glycine 0 N--CA 1.451 -0.306 0 CA-C-N 115.151 -0.931 . . . . 73.519999999999996 112.469 178.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -83.06 -33.83 26.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.731 0.301 . . . . 72.430000000000007 111.105 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 48.3 mm -51.8 -43.08 33.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 75.299999999999997 111.115 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.4 -33.02 65.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 73.5 111.106 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.6 mmmm -71.37 -28.62 64.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.266 -0.425 . . . . 75.019999999999996 110.93 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.4 mt -84.08 -46.13 12.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 74.109999999999999 110.884 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 48.8 t -67.3 -18.77 24.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 73.150000000000006 111.101 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.75 -24.32 34.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 74.420000000000002 111.117 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.86 -45.71 2.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 72.129999999999995 110.899 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -63.07 -72.67 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.26 -0.427 . . . . 74.230000000000004 110.893 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 122.92 175.6 14.63 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.762 -0.732 . . . . 72.329999999999998 112.518 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.616 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 4.7 m95 -68.2 -52.9 20.61 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 121.555 0.693 . . . . 75.340000000000003 110.942 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.616 ' HD2' ' N ' ' A' ' 13' ' ' TRP . 53.9 Cg_endo -69.73 -8.63 24.1 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.695 2.263 . . . . 73.109999999999999 112.342 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -102.03 -40.91 6.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 72.519999999999996 110.869 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -72.08 -29.83 34.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 74.409999999999997 111.141 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 37.0 pttt -72.4 -19.67 61.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 74.209999999999994 110.914 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 31.2 mttp -70.86 -32.21 69.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 75.310000000000002 110.93 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -130.94 29.28 4.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 72.540000000000006 110.878 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 74.5 t80 -64.35 -29.69 70.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.103 -0.498 . . . . 74.530000000000001 110.962 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.63 -35.98 73.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.101 -0.499 . . . . 75.420000000000002 110.897 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 57.6 mt-30 -89.85 -45.39 9.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 64.310000000000002 110.915 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 15.0 mt -51.57 -64.06 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 73.549999999999997 111.192 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -54.98 -27.1 41.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 71.310000000000002 110.91 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 25.1 mm-40 -76.63 -28.54 56.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 72.239999999999995 110.946 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -74.24 -38.61 63.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 75.209999999999994 110.875 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 50.1 mm -56.98 -50.87 74.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 74.519999999999996 111.145 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -67.62 -19.41 71.04 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.788 -0.72 . . . . 72.340000000000003 112.469 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -78.25 -26.01 47.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.845 0.355 . . . . 70.120000000000005 110.917 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 110.73 19.47 7.78 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.748 -0.739 . . . . 50.140000000000001 112.45 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 11.1 m0 -78.49 135.64 37.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.85 0.357 . . . . 75.230000000000004 110.942 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 20.1 p -68.08 172.98 4.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 75.510000000000005 111.177 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.5 mp -67.27 -27.03 37.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 64.400000000000006 111.116 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -82.11 -26.19 33.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.185 -0.461 . . . . 64.439999999999998 110.82 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -57.24 -44.38 83.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 75.230000000000004 110.901 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 5.4 mp -77.01 -54.02 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 73.439999999999998 111.168 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -51.83 -30.05 21.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.167 -0.47 . . . . 75.430000000000007 110.937 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 24.3 mtpp -91.41 -25.87 19.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 62.43 110.941 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 78.3 t90 -73.59 -47.18 42.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 74.140000000000001 110.925 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 27.2 tp -73.42 -52.15 14.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 74.540000000000006 110.879 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 46.6 tttp -51.86 -31.51 28.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 75.120000000000005 110.896 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 26.9 mmm180 -96.21 41.97 1.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 75.109999999999999 110.845 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 21.6 t-80 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 73.25 110.897 179.952 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 106.29 -70.01 0.23 Allowed Glycine 0 N--CA 1.451 -0.314 0 CA-C-N 115.154 -0.93 . . . . 62.530000000000001 112.499 178.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -56.98 -23.98 49.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.752 0.31 . . . . 71.239999999999995 111.1 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 40.2 mm -66.54 -55.26 19.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 72.400000000000006 111.151 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.02 -27.22 63.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 62.32 111.141 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 29.8 mttp -61.9 -48.54 80.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 75.549999999999997 110.896 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.6 mt -82.4 -36.55 26.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.274 -0.421 . . . . 72.430000000000007 110.938 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 87.9 t -67.05 -26.6 37.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 64.310000000000002 111.107 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.38 -21.63 50.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 62.240000000000002 111.097 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -116.08 -28.04 6.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 75.230000000000004 110.84 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -87.54 -62.13 1.57 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 75.519999999999996 110.861 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 114.35 173.37 18.1 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.698 -0.763 . . . . 73.450000000000003 112.506 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.612 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 5.4 m95 -68.18 -52.64 21.73 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.603 0.716 . . . . 75.329999999999998 110.963 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.612 ' HD2' ' N ' ' A' ' 13' ' ' TRP . 53.6 Cg_endo -69.75 -8.59 23.99 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.661 2.241 . . . . 74.200000000000003 112.341 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -102.23 -39.8 7.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 75.140000000000001 110.871 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -73.26 -30.33 30.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 75.519999999999996 111.159 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -72.04 -19.86 61.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.472 . . . . 73.430000000000007 110.881 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.92 -22.6 64.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 74.430000000000007 110.941 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -147.83 37.41 0.89 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 73.439999999999998 110.874 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 38.2 t80 -73.22 -8.47 55.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 75.030000000000001 110.903 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.3 tptm -77.21 -25.0 51.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 73.140000000000001 110.922 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -109.15 -36.58 6.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 73.040000000000006 110.934 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 39.1 mt -61.37 -57.31 12.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 73.329999999999998 111.122 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 3.3 ttp -58.46 -22.39 54.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 70.150000000000006 110.885 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 24.4 mm-40 -81.68 -44.55 16.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 74.129999999999995 110.874 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -51.92 -34.78 43.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 74.5 110.875 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 60.9 mt -55.75 -46.85 79.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.485 . . . . 74.219999999999999 111.105 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -74.88 -19.31 79.98 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.773 -0.727 . . . . 55.539999999999999 112.512 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -75.67 -25.99 57.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.865 0.364 . . . . 75.439999999999998 110.888 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 111.9 20.36 6.84 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.723 -0.751 . . . . 72.409999999999997 112.464 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 16.0 m0 -82.49 136.67 34.84 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.833 0.349 . . . . 74.0 110.899 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 46.7 p -83.02 176.95 8.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.26 -0.427 . . . . 63.539999999999999 111.126 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 3.8 mp -61.18 -31.63 50.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 72.219999999999999 111.138 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -74.43 -34.28 63.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 75.540000000000006 110.867 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.08 -55.95 26.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 64.349999999999994 110.874 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 5.2 mp -69.96 -50.26 49.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 71.420000000000002 111.191 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -51.86 -36.91 50.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 74.140000000000001 110.899 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 39.5 tttp -86.64 -25.5 24.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 74.109999999999999 110.89 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 52.7 t90 -62.98 -36.51 83.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 72.439999999999998 110.935 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.34 -61.25 2.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 75.540000000000006 110.904 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -56.95 -26.17 59.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.256 -0.429 . . . . 74.530000000000001 110.903 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 38.3 mtp180 -77.92 -27.73 49.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 74.150000000000006 110.819 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 39.1 t60 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 72.349999999999994 110.91 -179.991 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 93.18 36.52 5.94 Favored Glycine 0 N--CA 1.451 -0.312 0 CA-C-N 115.135 -0.938 . . . . 71.420000000000002 112.486 178.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -121.18 -38.82 2.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.784 0.326 . . . . 55.240000000000002 111.083 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 50.2 mm -54.14 -27.24 16.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.431 . . . . 74.310000000000002 111.114 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.87 -37.9 87.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 73.530000000000001 111.065 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 19.7 mmtp -70.52 -26.83 63.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 73.099999999999994 110.927 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.6 mt -84.86 -51.57 6.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 73.420000000000002 110.906 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 99.1 t -65.11 -23.77 33.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 61.409999999999997 111.117 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.14 -23.46 47.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 71.409999999999997 111.099 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? -116.47 -33.02 5.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 71.310000000000002 110.92 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -78.83 -64.32 1.21 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 74.450000000000003 110.899 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 116.65 173.37 16.83 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.732 -0.747 . . . . 64.310000000000002 112.49 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.621 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 5.9 m95 -67.99 -52.29 24.44 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.583 0.706 . . . . 75.299999999999997 110.904 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.621 ' HD2' ' N ' ' A' ' 13' ' ' TRP . 53.4 Cg_endo -69.82 -8.29 23.23 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.745 2.297 . . . . 75.540000000000006 112.314 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -103.3 -27.85 12.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 73.040000000000006 110.844 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.9 tp -88.01 -29.94 5.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 75.349999999999994 111.195 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 36.8 pttt -71.58 -20.12 62.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 73.230000000000004 110.904 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 28.0 mmtm -72.53 -25.99 61.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 75.200000000000003 110.902 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -140.38 36.7 1.87 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 65.099999999999994 110.889 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 64.7 t80 -69.23 -30.34 68.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 71.439999999999998 110.918 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.2 tppt? -69.95 -25.77 63.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 73.349999999999994 110.879 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 13.4 tp60 -94.47 -39.96 10.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 71.099999999999994 110.906 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 29.6 mt -69.49 -55.64 14.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 73.019999999999996 111.096 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -55.92 -25.31 42.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 73.430000000000007 110.898 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 22.2 mm-40 -71.16 -25.59 62.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 74.0 110.903 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -77.69 -40.43 41.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 74.209999999999994 110.915 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 50.5 mm -51.76 -46.68 39.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 74.239999999999995 111.112 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -75.13 -19.18 79.94 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.752 -0.737 . . . . 62.32 112.495 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -77.45 -30.13 53.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.843 0.354 . . . . 71.409999999999997 110.891 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 112.59 26.57 4.16 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.73 -0.748 . . . . 74.420000000000002 112.505 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 10.2 m0 -79.21 154.62 29.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.813 0.34 . . . . 73.340000000000003 110.907 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 20.2 p -89.66 162.74 15.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.447 . . . . 73.129999999999995 111.146 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 65.4 mt -58.96 -25.04 28.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 73.109999999999999 111.138 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -82.91 -31.79 27.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 62.420000000000002 110.898 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -56.78 -46.87 81.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 73.530000000000001 110.888 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 5.3 mp -74.79 -52.44 19.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 75.150000000000006 111.158 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -51.79 -30.11 21.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 73.439999999999998 110.852 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.1 mmtt -90.47 -28.01 18.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 74.099999999999994 110.913 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 92.5 t90 -68.17 -45.41 73.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 75.340000000000003 110.915 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 15.8 tp -96.24 32.29 2.0 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 75.010000000000005 110.921 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.6 tppp? -95.45 -29.0 14.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 74.109999999999999 110.906 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 19.1 ttt-85 -141.6 63.18 1.44 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 74.409999999999997 110.852 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 49.7 p-80 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 75.409999999999997 110.831 179.999 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 153.84 -53.32 0.45 Allowed Glycine 0 N--CA 1.452 -0.296 0 CA-C-N 115.206 -0.907 . . . . 74.140000000000001 112.475 178.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -69.64 -32.14 70.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.787 0.327 . . . . 71.549999999999997 111.101 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 4.5 mp -65.1 -23.3 33.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 70.439999999999998 111.062 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.57 -44.4 62.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 70.209999999999994 111.102 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 19.0 mmtm -54.23 -32.75 56.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 65.010000000000005 110.919 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.3 mt -85.08 -37.67 20.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.451 . . . . 74.409999999999997 110.911 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 26.1 t -71.47 -14.71 17.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 60.350000000000001 111.163 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.7 -23.51 42.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 62.350000000000001 111.171 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -123.49 -48.26 1.95 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 74.040000000000006 110.89 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -58.67 -73.58 0.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 74.409999999999997 110.842 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 121.29 174.97 14.98 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.743 -0.742 . . . . 65.109999999999999 112.44 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.626 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 6.0 m95 -67.0 -52.4 31.56 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.615 0.722 . . . . 74.209999999999994 110.936 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.626 ' HD2' ' N ' ' A' ' 13' ' ' TRP . 54.3 Cg_endo -69.78 -8.51 23.79 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.655 2.237 . . . . 60.420000000000002 112.329 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -104.22 -28.81 11.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 65.209999999999994 110.855 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -89.3 -29.62 5.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.152 -0.477 . . . . 71.239999999999995 111.181 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 42.5 pttt -67.23 -21.31 65.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 75.340000000000003 110.905 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 52.9 mttm -63.54 -28.52 70.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 72.239999999999995 110.861 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -142.63 32.47 1.45 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 73.310000000000002 110.882 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 76.3 t80 -63.66 -26.12 68.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.466 . . . . 72.030000000000001 110.974 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -66.11 -32.45 73.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.058 -0.519 . . . . 73.349999999999994 110.875 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -92.43 -44.44 8.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 73.439999999999998 110.873 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 11.8 mt -54.81 -62.13 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 73.129999999999995 111.18 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 4.8 tmm? -55.98 -25.25 43.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 73.219999999999999 110.889 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -74.14 -26.64 60.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 61.420000000000002 110.907 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -75.02 -35.71 61.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 72.329999999999998 110.863 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 44.5 mm -52.33 -43.57 40.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.478 . . . . 73.219999999999999 111.16 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -70.93 -19.44 77.0 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.71 -0.757 . . . . 72.120000000000005 112.484 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 58.6 tp60 -81.53 -28.33 34.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.822 0.344 . . . . 74.230000000000004 110.89 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 110.79 26.97 4.51 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.753 -0.737 . . . . 72.439999999999998 112.457 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 19.4 m0 -83.02 133.04 35.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.869 0.366 . . . . 71.530000000000001 110.895 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 19.2 p -78.14 177.21 8.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 72.140000000000001 111.147 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.5 mp -60.85 -30.68 47.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 75.510000000000005 111.16 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -74.8 -35.68 62.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 61.149999999999999 110.873 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -53.84 -48.15 70.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 74.230000000000004 110.884 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 5.2 mp -79.01 -51.14 17.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 75.040000000000006 111.106 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -51.47 -30.65 20.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 75.439999999999998 110.866 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 55.9 mmtt -90.17 -42.07 11.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 75.230000000000004 110.882 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 64.3 t90 -59.72 -33.4 71.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.444 . . . . 73.439999999999998 110.923 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 22.9 tp -82.39 -49.53 9.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 72.140000000000001 110.905 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 20.7 mtpt -53.35 -42.86 67.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 63.210000000000001 110.887 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 13.4 mmt180 -73.63 -28.8 61.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 63.030000000000001 110.884 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 26.8 t-80 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 75.030000000000001 110.835 179.973 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -149.75 -51.77 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 CA-C-N 115.188 -0.914 . . . . 74.519999999999996 112.49 178.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -132.31 42.69 3.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.753 0.311 . . . . 72.010000000000005 111.119 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 36.3 mm -114.86 -24.79 3.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 75.540000000000006 111.14 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.71 -29.24 69.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 72.349999999999994 111.081 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 65.8 mmtt -77.68 -26.18 50.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 75.200000000000003 110.905 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.0 mt -88.02 -48.45 7.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.258 -0.428 . . . . 74.439999999999998 110.913 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 90.1 t -65.92 -27.96 42.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 75.430000000000007 111.148 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.96 -26.95 28.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 74.140000000000001 111.074 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 55.0 mmtt -110.48 -36.65 5.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 75.5 110.937 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -77.21 -68.77 0.58 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 75.519999999999996 110.911 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 120.81 173.93 14.93 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.792 -0.718 . . . . 71.430000000000007 112.503 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.616 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 5.9 m95 -67.74 -52.34 26.16 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-O 121.572 0.701 . . . . 70.25 110.932 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.616 ' HD2' ' N ' ' A' ' 13' ' ' TRP . 53.5 Cg_endo -69.78 -8.26 23.15 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.717 2.278 . . . . 65.519999999999996 112.342 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -105.12 -28.36 11.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 75.430000000000007 110.872 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.4 tp -86.45 -29.04 5.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 74.430000000000007 111.123 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 10.8 pttp -74.43 -19.13 60.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 74.519999999999996 110.878 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 36.3 tttm -76.81 -27.59 55.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.439 . . . . 61.5 110.902 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -132.13 29.94 4.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.261 -0.427 . . . . 74.299999999999997 110.88 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -66.03 -25.94 67.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.116 -0.493 . . . . 72.519999999999996 110.941 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.4 tttp -65.89 -32.17 73.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.494 . . . . 73.319999999999993 110.868 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 61.6 mt-30 -88.73 -54.7 4.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.436 . . . . 73.109999999999999 110.882 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 11.5 mt -51.63 -60.13 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 73.099999999999994 111.112 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 15.0 ttt -55.65 -25.67 40.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 63.210000000000001 110.862 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.6 mm100 -77.8 -33.89 52.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 74.040000000000006 110.905 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -71.5 -36.58 71.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 71.239999999999995 110.87 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 50.3 mm -56.19 -43.7 77.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 73.25 111.139 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -72.68 -19.71 79.31 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.783 -0.723 . . . . 73.120000000000005 112.486 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 34.0 tp60 -80.75 -26.37 37.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.874 0.369 . . . . 73.430000000000007 110.901 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 111.88 21.55 6.32 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.749 -0.739 . . . . 40.310000000000002 112.503 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 12.0 m0 -75.65 135.18 40.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.847 0.356 . . . . 74.510000000000005 110.94 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 82.6 p -72.22 171.0 12.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 72.510000000000005 111.153 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.2 mp -64.49 -25.65 38.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 74.430000000000007 111.141 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -80.11 -28.22 39.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 73.109999999999999 110.886 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 65.4 mm-40 -58.75 -50.73 72.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 73.319999999999993 110.923 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 5.3 mp -70.48 -51.82 34.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 74.129999999999995 111.098 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -51.78 -30.05 21.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.468 . . . . 75.340000000000003 110.899 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 18.5 tptp -91.59 -27.03 18.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 72.340000000000003 110.882 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 72.0 t90 -70.77 -45.36 64.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.218 -0.446 . . . . 73.109999999999999 110.895 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.0 tp -97.37 33.26 2.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 74.519999999999996 110.915 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 25.9 ttmt -92.65 -25.59 18.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 75.140000000000001 110.922 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 30.2 ttm180 -103.23 -58.92 1.79 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 75.420000000000002 110.886 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 3.7 t60 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 74.409999999999997 110.89 179.979 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 137.67 -35.08 2.09 Favored Glycine 0 N--CA 1.452 -0.295 0 CA-C-N 115.141 -0.936 . . . . 63.039999999999999 112.456 178.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -89.41 -26.38 21.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.798 0.332 . . . . 75.219999999999999 111.126 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 43.1 mm -66.95 -26.33 36.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 64.340000000000003 111.151 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.6 -26.07 65.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 72.209999999999994 111.133 179.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 11.5 mmmt -79.79 -26.56 40.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 74.150000000000006 110.919 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.5 mt -90.53 -43.48 10.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.256 -0.429 . . . . 72.450000000000003 110.889 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 91.6 t -66.33 -30.29 49.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.201 -0.454 . . . . 75.420000000000002 111.138 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.99 -28.88 18.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 71.530000000000001 111.109 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -107.35 -39.7 5.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 73.230000000000004 110.884 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -75.81 -72.31 0.32 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 72.400000000000006 110.922 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 124.48 175.32 14.29 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.697 -0.763 . . . . 74.109999999999999 112.468 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.611 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 5.4 m95 -68.38 -52.64 20.26 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.559 0.695 . . . . 73.409999999999997 110.918 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.611 ' HD2' ' N ' ' A' ' 13' ' ' TRP . 53.9 Cg_endo -69.72 -8.35 23.37 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.66 2.24 . . . . 74.25 112.395 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -105.4 -28.21 11.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 74.340000000000003 110.913 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -87.79 -28.67 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 53.310000000000002 111.142 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.4 pttm -74.81 -18.68 60.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 72.049999999999997 110.862 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 32.2 mmtt -74.67 -26.93 60.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 74.439999999999998 110.93 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -130.02 25.5 5.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 75.019999999999996 110.866 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -58.22 -24.78 60.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.188 -0.46 . . . . 72.120000000000005 110.91 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -65.29 -40.6 94.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.087 -0.506 . . . . 74.129999999999995 110.876 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 38.2 mm-40 -85.84 -46.0 11.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 72.209999999999994 110.928 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 7.9 mt -51.79 -63.71 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 74.239999999999995 111.076 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 67.8 mmm -56.36 -24.88 47.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 73.049999999999997 110.904 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -79.77 -24.66 41.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 75.310000000000002 110.93 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -79.47 -35.91 39.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 75.510000000000005 110.868 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 51.0 mm -62.05 -49.94 82.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.134 -0.485 . . . . 71.040000000000006 111.14 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -67.61 -19.61 71.22 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.726 -0.749 . . . . 70.349999999999994 112.455 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 45.1 tp60 -78.82 -27.97 44.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.818 0.342 . . . . 75.439999999999998 110.853 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 112.5 20.15 6.7 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.7 -0.762 . . . . 35.009999999999998 112.477 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 14.8 m0 -77.6 134.34 38.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.835 0.35 . . . . 74.450000000000003 110.961 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.5 p -67.96 173.09 4.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 64.510000000000005 111.178 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.3 mp -66.56 -25.21 34.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.289 -0.414 . . . . 70.340000000000003 111.134 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -82.97 -27.87 30.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.475 . . . . 74.25 110.89 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -56.01 -42.72 76.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 74.319999999999993 110.924 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 5.3 mp -80.3 -47.79 20.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 74.310000000000002 111.15 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -51.89 -29.99 22.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 73.510000000000005 110.822 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 25.6 tptp -91.79 -35.06 14.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 73.129999999999995 110.911 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 86.0 t90 -62.95 -36.71 84.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.2 -0.454 . . . . 61.119999999999997 110.915 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.1 tp -108.9 33.86 4.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.241 -0.436 . . . . 73.129999999999995 110.934 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 25.2 tttt -97.2 24.39 6.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 73.129999999999995 110.855 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.2 mpp_? 57.04 44.83 22.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 74.549999999999997 110.848 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 46.2 p-80 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 71.439999999999998 110.89 -179.982 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 132.4 -29.4 3.31 Favored Glycine 0 N--CA 1.45 -0.381 0 CA-C-N 115.182 -0.917 . . . . 61.329999999999998 112.519 178.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -104.11 37.75 2.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.74 0.305 . . . . 62.450000000000003 111.081 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 46.4 mm -109.29 -34.0 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.434 . . . . 75.030000000000001 111.113 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.51 -36.76 79.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 73.140000000000001 111.082 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 20.1 mmmt -63.25 -25.79 68.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.27 -0.423 . . . . 74.0 110.878 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.3 mt -94.41 -47.33 6.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 74.319999999999993 110.924 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 59.9 t -66.73 -20.23 26.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 70.200000000000003 111.104 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.13 -25.35 31.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 74.140000000000001 111.131 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 25.0 mmmt -118.22 -41.71 2.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 75.439999999999998 110.908 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -66.37 -70.43 0.24 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.447 . . . . 62.439999999999998 110.867 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 121.39 174.18 14.77 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.772 -0.728 . . . . 60.32 112.51 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.611 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 5.7 m95 -67.84 -52.43 25.06 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.572 0.701 . . . . 73.329999999999998 110.985 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.611 ' HD2' ' N ' ' A' ' 13' ' ' TRP . 53.9 Cg_endo -69.82 -8.29 23.24 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.682 2.254 . . . . 71.430000000000007 112.338 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -102.96 -32.71 9.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 72.200000000000003 110.852 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.1 tp -81.96 -29.67 9.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 72.030000000000001 111.119 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.93 -19.53 61.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 75.310000000000002 110.884 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.36 -32.62 64.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 75.400000000000006 110.873 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -128.54 29.43 5.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 74.340000000000003 110.875 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 69.4 t80 -62.19 -28.35 69.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 73.329999999999998 110.923 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.7 mtpt -66.49 -34.28 77.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.088 -0.505 . . . . 74.109999999999999 110.864 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -88.27 -47.3 8.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 73.540000000000006 110.902 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.8 mt -54.17 -62.9 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 74.439999999999998 111.142 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.9 -25.35 42.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 73.230000000000004 110.882 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 -75.5 -27.81 58.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 73.430000000000007 110.913 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -73.13 -32.51 64.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 72.349999999999994 110.877 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 53.3 mt -59.98 -50.23 80.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 75.049999999999997 111.117 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -66.64 -19.52 69.2 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.732 -0.747 . . . . 62.340000000000003 112.513 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 56.4 tp60 -79.88 -27.61 40.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.86 0.362 . . . . 70.549999999999997 110.949 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 107.96 22.86 7.03 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.756 -0.735 . . . . 72.329999999999998 112.478 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 7.5 m0 -76.3 137.13 39.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.864 0.364 . . . . 75.439999999999998 110.914 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 28.9 p -71.59 164.13 26.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 75.140000000000001 111.112 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 51.5 mm -59.52 -25.22 30.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 65.200000000000003 111.162 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -82.11 -31.65 30.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.14 -0.482 . . . . 75.319999999999993 110.865 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 48.9 mm-40 -56.17 -48.88 75.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 73.0 110.903 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 5.3 mp -70.96 -54.31 18.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 64.200000000000003 111.115 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -51.93 -29.72 21.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 75.439999999999998 110.875 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 28.3 mmtp -91.57 -26.06 18.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 75.219999999999999 110.913 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 90.4 t90 -69.35 -44.64 71.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 75.540000000000006 110.955 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.1 tp -95.76 33.09 1.71 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 74.319999999999993 110.902 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -109.63 -40.73 4.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 71.140000000000001 110.919 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -98.62 36.42 1.65 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 74.209999999999994 110.881 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 32.6 p80 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 74.230000000000004 110.861 179.968 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' FME . . . . . 0.526 ' HCN' ' OH ' ' A' ' 20' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 162.73 -71.15 0.21 Allowed Glycine 0 N--CA 1.452 -0.294 0 CA-C-N 115.144 -0.934 . . . . 75.409999999999997 112.444 178.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -121.69 44.98 2.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.745 0.307 . . . . 61.219999999999999 111.109 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 8.9 mm -96.65 29.43 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 74.430000000000007 111.166 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -124.89 -36.81 2.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 71.319999999999993 111.097 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 30.4 mmtp -78.25 -33.99 49.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 75.129999999999995 110.893 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.8 mt -81.38 -44.8 17.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 75.439999999999998 110.889 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 83.9 t -67.63 -24.86 31.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 72.209999999999994 111.122 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.57 -23.92 43.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 74.230000000000004 111.118 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 57.2 mmtt -113.69 -35.07 5.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 74.219999999999999 110.935 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -78.5 -66.7 0.82 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 74.400000000000006 110.913 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 119.27 173.78 15.59 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.72 -0.752 . . . . 53.109999999999999 112.499 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.615 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 5.5 m95 -68.44 -52.63 19.89 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-O 121.57 0.7 . . . . 74.439999999999998 110.886 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.615 ' HD2' ' N ' ' A' ' 13' ' ' TRP . 53.4 Cg_endo -69.8 -8.98 24.97 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.633 2.222 . . . . 72.310000000000002 112.35 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -101.41 -43.98 5.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 72.319999999999993 110.888 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.5 tp -65.68 -30.03 48.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 63.25 111.085 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -73.92 -19.11 60.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 74.129999999999995 110.926 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 79.9 mttt -77.11 -26.36 53.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 74.329999999999998 110.921 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -131.37 27.55 4.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 65.109999999999999 110.892 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.526 ' OH ' ' HCN' ' A' ' 1' ' ' FME . 58.3 t80 -64.61 -24.85 67.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 74.329999999999998 110.942 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.8 ttpt -67.39 -33.42 75.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.095 -0.502 . . . . 72.540000000000006 110.898 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 79.7 mm-40 -89.82 -53.48 4.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 61.200000000000003 110.898 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 7.3 mt -51.74 -56.94 4.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 74.219999999999999 111.155 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 13.9 tpt -56.88 -24.54 52.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 73.219999999999999 110.888 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 11.8 mm-40 -81.94 -29.57 32.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 73.129999999999995 110.894 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -74.97 -32.82 61.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 73.409999999999997 110.88 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 47.8 mt -58.41 -68.36 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 75.519999999999996 111.116 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -52.99 -28.47 32.66 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.722 -0.752 . . . . 71.219999999999999 112.499 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -64.75 -30.37 71.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.848 0.356 . . . . 75.329999999999998 110.887 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 106.42 32.15 3.78 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.713 -0.756 . . . . 64.340000000000003 112.497 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 6.8 m0 -85.94 156.37 20.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.83 0.348 . . . . 75.129999999999995 110.938 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 70.3 p -83.72 156.03 22.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 74.540000000000006 111.107 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 3.6 mp -57.86 -24.35 22.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 74.319999999999993 111.123 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 61.6 m-20 -85.69 -27.66 25.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.467 . . . . 71.209999999999994 110.918 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -60.3 -45.95 91.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 75.329999999999998 110.873 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 5.3 mp -72.77 -53.8 17.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 74.409999999999997 111.117 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -51.61 -30.55 21.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 75.329999999999998 110.89 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 21.9 mmmt -92.36 -25.14 18.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.492 . . . . 72.040000000000006 110.914 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 72.7 t90 -72.29 -44.59 62.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 73.540000000000006 110.944 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 22.0 tp -76.06 -44.88 36.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 70.439999999999998 110.903 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.1 mmmm -52.14 -36.47 51.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 73.450000000000003 110.904 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 62.3 ttp85 -80.77 -28.04 36.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 74.420000000000002 110.886 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 35.2 m-70 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 75.430000000000007 110.877 179.978 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -112.26 -61.31 0.45 Allowed Glycine 0 N--CA 1.451 -0.339 0 CA-C-N 115.186 -0.915 . . . . 73.010000000000005 112.517 178.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -73.69 -43.56 58.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.76 0.314 . . . . 65.530000000000001 111.11 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 24.2 mt -68.43 -28.66 41.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 73.420000000000002 111.142 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.69 -36.16 45.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 55.100000000000001 111.103 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.9 mmmt -62.78 -34.04 76.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 72.140000000000001 110.896 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.4 mt -82.01 -43.57 17.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 74.200000000000003 110.932 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 87.6 t -64.89 -25.03 36.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 74.109999999999999 111.132 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.44 -22.09 53.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 74.319999999999993 111.097 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 30.2 mmtp -116.82 -27.35 6.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 74.439999999999998 110.901 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -86.54 -60.27 2.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 75.319999999999993 110.874 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 112.46 173.02 18.98 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.741 -0.742 . . . . 64.540000000000006 112.457 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.621 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 5.8 m95 -68.16 -52.45 22.6 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.571 0.701 . . . . 74.400000000000006 110.897 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.621 ' HD2' ' N ' ' A' ' 13' ' ' TRP . 54.3 Cg_endo -69.76 -8.89 24.75 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.672 2.248 . . . . 75.310000000000002 112.355 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -101.59 -41.9 6.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 74.209999999999994 110.847 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 2.9 tp -69.14 -30.44 46.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 73.209999999999994 111.139 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.5 -19.82 61.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 63.210000000000001 110.904 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.0 tptm -62.11 -42.11 98.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.455 . . . . 75.310000000000002 110.885 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -132.33 36.23 3.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 75.109999999999999 110.868 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 62.5 t80 -61.99 -26.2 68.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.172 -0.467 . . . . 64.209999999999994 110.926 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 33.1 tttm -62.01 -40.55 96.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 74.230000000000004 110.876 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 23.4 tp60 -85.45 -44.16 12.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 75.030000000000001 110.892 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 11.1 mt -56.56 -59.88 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 72.519999999999996 111.136 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 13.3 tpt -56.04 -25.42 44.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 74.420000000000002 110.879 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -74.55 -25.91 59.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 75.299999999999997 110.935 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -75.42 -43.03 51.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 74.239999999999995 110.909 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 50.0 mm -52.56 -40.24 32.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.11 -0.495 . . . . 74.239999999999995 111.148 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -74.37 -19.53 79.81 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.74 -0.743 . . . . 73.319999999999993 112.48 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -82.98 -26.02 31.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.862 0.363 . . . . 74.25 110.909 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.15 20.27 9.9 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.743 -0.741 . . . . 63.450000000000003 112.501 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 6.2 m0 -71.46 138.74 49.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.854 0.359 . . . . 70.129999999999995 110.906 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 21.1 p -65.4 166.39 10.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.242 -0.435 . . . . 71.319999999999993 111.169 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.5 mp -66.7 -26.13 36.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 73.109999999999999 111.146 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 -82.43 -26.95 32.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 75.450000000000003 110.852 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 16.7 mm-40 -56.95 -44.98 83.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 74.099999999999994 110.929 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 5.4 mp -76.43 -47.92 28.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 74.129999999999995 111.118 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -52.38 -29.68 25.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 73.400000000000006 110.901 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -96.48 -25.27 15.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 73.129999999999995 110.93 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 46.9 t90 -73.33 -36.37 66.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.458 . . . . 73.519999999999996 110.916 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 24.7 tp -86.6 -48.25 8.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 74.329999999999998 110.929 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 34.7 tptt -51.93 -39.41 59.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 74.310000000000002 110.915 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 50.4 ttp180 -63.52 -50.69 68.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 72.329999999999998 110.839 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 75.140000000000001 110.828 179.988 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 68.43 30.69 73.35 Favored Glycine 0 N--CA 1.451 -0.321 0 CA-C-N 115.168 -0.924 . . . . 55.340000000000003 112.521 178.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -115.99 -25.58 7.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.827 0.346 . . . . 65.430000000000007 111.138 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 17.2 mt -56.68 -37.03 50.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 72.150000000000006 111.104 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.6 -43.27 62.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 73.019999999999996 111.114 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 21.4 mmtp -55.84 -37.83 69.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 74.430000000000007 110.924 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.7 mt -81.15 -38.9 26.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 74.019999999999996 110.902 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 96.4 t -66.22 -26.04 37.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 74.409999999999997 111.151 179.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.65 -22.74 47.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 74.549999999999997 111.126 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 24.4 mmmt -114.46 -31.28 6.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 73.230000000000004 110.864 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -83.67 -64.05 1.24 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 75.010000000000005 110.91 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 115.33 173.63 17.69 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.768 -0.73 . . . . 63.5 112.544 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.612 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 5.8 m95 -67.99 -52.47 23.74 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.576 0.703 . . . . 74.420000000000002 110.924 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.612 ' HD2' ' N ' ' A' ' 13' ' ' TRP . 54.1 Cg_endo -69.67 -10.65 29.17 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.725 2.283 . . . . 65.540000000000006 112.361 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -99.74 -41.87 7.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 74.129999999999995 110.859 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.2 tp -71.22 -30.01 38.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 73.25 111.13 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -73.84 -19.48 60.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 73.329999999999998 110.902 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.72 -26.35 65.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 74.140000000000001 110.901 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -146.41 37.43 1.01 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.44 . . . . 75.430000000000007 110.86 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 51.0 t80 -63.65 -25.92 68.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 74.420000000000002 110.895 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.3 mtmt -66.16 -36.0 81.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 74.420000000000002 110.911 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 12.3 tp60 -87.45 -45.59 10.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 74.439999999999998 110.917 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 11.9 mt -54.77 -63.04 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 75.109999999999999 111.134 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 11.7 tpt -56.43 -25.32 49.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 73.109999999999999 110.864 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.3 mm100 -70.54 -26.32 63.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 73.109999999999999 110.933 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -72.64 -36.56 68.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 74.430000000000007 110.877 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 68.2 mt -54.92 -57.78 5.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 74.420000000000002 111.11 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -55.64 -28.34 51.46 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.715 -0.755 . . . . 70.409999999999997 112.486 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -73.45 -25.8 60.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.882 0.372 . . . . 72.239999999999995 110.932 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 102.23 20.44 12.38 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.73 -0.748 . . . . 75.200000000000003 112.511 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 9.1 m0 -72.47 140.88 48.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.85 0.357 . . . . 75.239999999999995 110.884 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 57.1 p -72.09 156.8 38.8 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.205 -0.452 . . . . 75.439999999999998 111.142 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 48.0 mm -56.4 -24.7 19.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 72.430000000000007 111.154 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -81.41 -36.09 29.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 73.5 110.858 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 -52.65 -47.29 67.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 71.129999999999995 110.928 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 5.1 mp -69.43 -54.56 19.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 75.519999999999996 111.128 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -52.34 -31.13 31.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 71.019999999999996 110.896 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.4 tppt? -88.67 -26.56 21.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 75.400000000000006 110.888 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 48.0 t90 -62.46 -40.66 97.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.237 -0.438 . . . . 64.420000000000002 110.971 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -63.9 -66.49 0.54 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 72.329999999999998 110.888 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 29.1 tttm -55.06 -30.96 60.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 73.450000000000003 110.905 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 44.4 mtp180 -115.83 54.87 0.8 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 74.439999999999998 110.832 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 23.7 t-160 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 74.219999999999999 110.895 179.991 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -175.25 -39.91 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.374 0 CA-C-N 115.215 -0.902 . . . . 55.329999999999998 112.517 178.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -66.8 -25.72 66.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.774 0.321 . . . . 71.200000000000003 111.133 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 24.9 mt -55.5 -28.94 23.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 73.120000000000005 111.161 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.76 -48.3 63.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 72.200000000000003 111.105 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 54.2 mttp -56.05 -36.6 68.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 72.239999999999995 110.907 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.0 mt -75.4 -38.31 59.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.241 -0.436 . . . . 74.209999999999994 110.936 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 87.9 t -67.64 -24.13 30.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 71.439999999999998 111.121 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.23 -20.9 58.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 63.100000000000001 111.09 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -116.72 -27.31 6.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 71.430000000000007 110.876 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -87.25 -60.65 1.92 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 62.109999999999999 110.834 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 113.15 172.1 18.26 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.787 -0.72 . . . . 73.209999999999994 112.484 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.617 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 5.8 m95 -67.83 -52.49 24.83 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.598 0.713 . . . . 75.209999999999994 110.929 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.617 ' HD2' ' N ' ' A' ' 13' ' ' TRP . 53.8 Cg_endo -69.77 -8.67 24.19 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.647 2.231 . . . . 75.0 112.355 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -101.51 -44.49 5.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 71.549999999999997 110.877 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 6.7 tp -64.6 -29.54 47.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 72.219999999999999 111.152 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.86 -18.75 60.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 74.019999999999996 110.916 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.61 -23.71 42.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 74.530000000000001 110.899 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -130.98 25.2 4.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 64.239999999999995 110.9 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -67.26 -25.7 66.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 63.130000000000003 110.966 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.0 mtpp -68.44 -23.78 64.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.108 -0.496 . . . . 71.439999999999998 110.9 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.16 -55.22 2.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 75.129999999999995 110.947 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 78.7 mt -50.96 -57.5 2.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.466 . . . . 72.140000000000001 111.096 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 6.3 tmm? -56.22 -24.63 43.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 71.549999999999997 110.868 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -83.88 -27.96 28.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 74.209999999999994 110.929 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -74.74 -32.56 62.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 74.409999999999997 110.89 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 44.3 mm -61.19 -54.09 40.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 74.150000000000006 111.159 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -58.6 -20.44 46.3 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.74 -0.743 . . . . 72.299999999999997 112.493 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 35.7 tp60 -78.92 -25.98 43.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.855 0.359 . . . . 63.310000000000002 110.886 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 112.09 20.8 6.56 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.769 -0.729 . . . . 71.140000000000001 112.515 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 13.7 m0 -79.33 136.14 36.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.801 0.334 . . . . 73.25 110.926 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 33.0 p -76.81 -172.82 2.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 74.219999999999999 111.127 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.4 mp -70.48 -44.47 77.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.448 . . . . 75.010000000000005 111.093 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -63.87 -29.42 70.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 73.019999999999996 110.863 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -55.93 -55.5 31.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 74.129999999999995 110.891 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 5.4 mp -76.57 -47.21 29.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 73.530000000000001 111.136 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 35.0 mm-40 -51.82 -30.26 22.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 53.240000000000002 110.905 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 51.9 tttt -96.14 -28.67 14.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 74.5 110.913 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 45.0 t90 -70.54 -31.82 69.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.455 . . . . 75.319999999999993 110.903 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 25.6 tp -96.28 -49.72 5.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 74.409999999999997 110.928 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.1 ttpt 63.22 28.11 15.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 74.5 110.888 179.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 19.6 mtt180 56.83 42.14 26.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 74.519999999999996 110.884 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 72.510000000000005 110.847 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -112.88 -25.8 4.37 Favored Glycine 0 N--CA 1.452 -0.298 0 CA-C-N 115.155 -0.929 . . . . 64.450000000000003 112.51 178.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -95.53 24.83 4.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.772 0.32 . . . . 71.5 111.133 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 9.0 mm -95.78 29.45 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 72.439999999999998 111.127 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -117.1 -40.33 3.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 54.140000000000001 111.097 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 29.5 mmtp -74.33 -30.43 62.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 74.299999999999997 110.89 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.8 mt -83.25 -46.81 12.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 74.319999999999993 110.869 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 94.5 t -66.2 -32.5 58.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 74.329999999999998 111.101 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.39 -29.72 16.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.481 . . . . 71.209999999999994 111.087 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 21.7 mmmt -104.69 -39.96 6.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 73.439999999999998 110.891 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -77.74 -73.25 0.32 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 73.430000000000007 110.926 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 120.22 176.09 15.71 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.703 -0.76 . . . . 75.329999999999998 112.482 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.607 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 5.1 m95 -68.74 -52.79 17.28 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.604 0.716 . . . . 74.120000000000005 110.937 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.607 ' HD2' ' N ' ' A' ' 13' ' ' TRP . 53.6 Cg_endo -69.8 -8.83 24.61 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.682 2.255 . . . . 74.25 112.292 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -101.45 -48.19 4.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.299 -0.41 . . . . 74.010000000000005 110.859 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 17.7 tt -61.42 -30.08 47.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 74.420000000000002 111.14 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.32 -22.39 66.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.113 -0.494 . . . . 75.049999999999997 110.863 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.8 tmtm? -73.17 -25.94 60.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 74.209999999999994 110.836 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -138.65 41.21 2.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 74.349999999999994 110.916 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 33.5 t80 -76.4 -25.06 54.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 75.129999999999995 110.928 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.68 -29.67 68.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 74.540000000000006 110.896 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 41.7 mm-40 -93.27 -54.56 3.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 73.140000000000001 110.914 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 42.0 mt -51.61 -57.14 3.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 73.510000000000005 111.104 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 15.6 tpt -56.15 -25.21 45.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 75.010000000000005 110.9 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -83.44 -26.96 29.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 74.409999999999997 110.882 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -76.05 -36.96 58.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 71.5 110.899 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 48.7 mm -64.3 -48.28 86.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 72.019999999999996 111.154 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.95 -20.88 69.15 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.743 -0.741 . . . . 72.519999999999996 112.466 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 47.7 tp60 -79.77 -31.24 40.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.875 0.369 . . . . 74.430000000000007 110.961 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 112.35 23.07 5.59 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.707 -0.759 . . . . 62.299999999999997 112.477 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 5.7 m0 -75.14 147.0 40.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.781 0.324 . . . . 74.439999999999998 110.979 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 20.2 p -73.13 168.01 19.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 73.530000000000001 111.124 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.1 mp -71.15 -24.28 24.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 75.329999999999998 111.09 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -87.9 2.49 51.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 70.129999999999995 110.883 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.5 mm100 -91.92 -44.25 9.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 74.310000000000002 110.917 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 5.3 mp -74.45 -54.29 15.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 75.420000000000002 111.156 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -51.88 -30.19 22.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 75.209999999999994 110.884 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 13.4 mmmt -91.61 -26.07 18.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 75.340000000000003 110.91 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 53.3 t90 -65.62 -39.55 91.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.467 . . . . 75.239999999999995 110.934 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 17.7 tp -82.17 -39.5 23.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 70.140000000000001 110.913 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.3 -27.0 63.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 73.230000000000004 110.881 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 43.3 mtp85 -75.64 -37.12 59.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 74.310000000000002 110.91 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 22.6 m-70 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 74.400000000000006 110.83 179.978 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.851 0.358 . . . . 64.329999999999998 111.099 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 42.6 mmtt -57.42 -26.83 61.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 73.140000000000001 110.899 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.729 HD11 HD11 ' A' ' 27' ' ' ILE . 10.5 mt -95.76 -37.84 10.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 74.310000000000002 110.904 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.757 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 98.3 t -65.65 -30.41 50.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 55.5 111.138 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.0 -28.33 23.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 64.200000000000003 111.117 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 44.9 mmtm -105.65 -40.74 5.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.274 -0.421 . . . . 73.239999999999995 110.895 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -76.69 -73.1 0.3 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 71.109999999999999 110.906 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.431 ' O ' HG22 ' A' ' 16' ' ' ILE . . . 117.53 176.2 17.29 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.73 -0.748 . . . . 54.310000000000002 112.536 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.757 ' CZ3' HG11 ' A' ' 8' ' ' VAL . 5.8 m95 -68.23 -52.38 22.31 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.577 0.703 . . . . 74.340000000000003 110.924 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.64 ' HD2' ' N ' ' A' ' 13' ' ' TRP . 54.0 Cg_endo -69.79 -8.65 24.13 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.727 2.284 . . . . 74.129999999999995 112.385 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -102.86 -37.21 7.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 73.310000000000002 110.89 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.515 HG13 HD13 ' A' ' 23' ' ' ILE . 18.5 tt -77.58 -29.9 16.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 75.040000000000006 111.106 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -69.01 -20.79 64.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 62.439999999999998 110.85 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.4 mmtp -66.18 -32.35 73.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 73.120000000000005 110.913 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -143.52 42.75 1.49 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 74.299999999999997 110.882 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 73.5 t80 -61.42 -26.46 67.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.14 -0.482 . . . . 61.43 110.906 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 35.5 tptt -69.79 -30.85 68.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 65.129999999999995 110.917 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -92.05 -45.54 8.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 73.209999999999994 110.946 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.515 HD13 HG13 ' A' ' 16' ' ' ILE . 41.3 mt -61.01 -57.34 12.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 71.439999999999998 111.106 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 3.2 ttt -56.79 -25.98 56.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 71.340000000000003 110.887 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.3 mm100 -70.42 -44.22 68.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 64.530000000000001 110.884 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -52.96 -51.31 61.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 64.219999999999999 110.85 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.729 HD11 HD11 ' A' ' 7' ' ' LEU . 51.0 mm -54.26 -48.65 66.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 73.329999999999998 111.161 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.81 -19.95 63.69 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.766 -0.73 . . . . 52.350000000000001 112.485 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 55.0 tp60 -84.0 -28.77 27.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.884 0.373 . . . . 75.019999999999996 110.93 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 110.9 21.46 6.71 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.8 -0.714 . . . . 75.25 112.523 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 9.2 m0 -76.21 136.46 39.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.851 0.358 . . . . 75.010000000000005 110.971 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.444 ' O ' HD12 ' A' ' 36' ' ' ILE . 31.0 p -61.1 165.11 4.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.277 -0.419 . . . . 73.450000000000003 111.165 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 66.3 mt -65.22 -25.19 36.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 65.349999999999994 111.13 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -83.77 -26.58 29.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 75.230000000000004 110.846 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.7 mm-40 -58.74 -46.49 87.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 63.450000000000003 110.926 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.504 HG21 HD13 ' A' ' 7' ' ' LEU . 5.4 mp -75.99 -52.31 18.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 71.200000000000003 111.137 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -52.04 -31.22 29.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.475 . . . . 75.040000000000006 110.864 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 57.2 mttt -89.3 -38.83 13.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.147 -0.479 . . . . 75.109999999999999 110.896 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 78.9 t90 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.439 . . . . 72.099999999999994 110.916 179.943 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.875 0.369 . . . . 71.140000000000001 111.098 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 19.8 mmmt -79.81 -34.43 39.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 53.020000000000003 110.877 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.498 HD22 ' HB ' ' A' ' 36' ' ' ILE . 9.6 mt -78.78 -43.75 24.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.264 -0.425 . . . . 65.140000000000001 110.888 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.664 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 89.8 t -66.25 -25.82 36.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 71.299999999999997 111.112 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.23 -22.22 51.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 62.240000000000002 111.071 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -115.24 -28.9 6.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 72.319999999999993 110.916 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -86.05 -62.28 1.56 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 72.340000000000003 110.873 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 114.2 172.78 17.94 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.766 -0.73 . . . . 75.120000000000005 112.473 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.664 ' CZ3' HG11 ' A' ' 8' ' ' VAL . 5.8 m95 -67.71 -52.39 26.18 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.552 0.691 . . . . 75.5 110.92 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.635 ' HD2' ' N ' ' A' ' 13' ' ' TRP . 54.1 Cg_endo -69.74 -8.76 24.43 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.655 2.236 . . . . 73.310000000000002 112.379 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -101.81 -37.64 8.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 75.219999999999999 110.923 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.592 HD11 HG21 ' A' ' 23' ' ' ILE . 1.0 OUTLIER -75.34 -29.84 21.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.147 -0.479 . . . . 75.230000000000004 111.173 179.936 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -76.24 -18.18 59.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 63.439999999999998 110.932 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 41.6 mmtt -74.62 -24.74 58.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 72.0 110.896 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.449 ' C ' HD12 ' A' ' 23' ' ' ILE . 50.1 m-85 -140.11 30.99 1.98 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 71.310000000000002 110.864 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -60.19 -38.94 84.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 75.219999999999999 110.95 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 47.7 mmtm -55.14 -36.15 65.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.057 -0.52 . . . . 63.009999999999998 110.886 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -87.61 -41.44 13.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 60.43 110.887 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.592 HG21 HD11 ' A' ' 16' ' ' ILE . 12.5 mt -60.03 -61.07 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 71.219999999999999 111.136 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 8.2 ptm -55.36 -26.88 43.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 72.5 110.872 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.1 mm100 -68.11 -30.61 69.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 75.439999999999998 110.912 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -71.34 -39.49 71.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 73.109999999999999 110.854 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 47.2 mm -57.41 -53.15 47.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 74.140000000000001 111.129 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.33 -19.43 46.81 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.759 -0.734 . . . . 52.25 112.509 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 25.4 tp60 -85.27 -28.6 25.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.903 0.382 . . . . 41.420000000000002 110.96 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 104.97 28.41 5.6 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.753 -0.737 . . . . 61.020000000000003 112.5 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 7.5 m0 -79.84 137.32 36.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.819 0.342 . . . . 72.140000000000001 110.903 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.462 ' O ' HD12 ' A' ' 36' ' ' ILE . 22.5 p -64.53 168.48 5.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 73.549999999999997 111.116 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.48 HD12 ' H ' ' A' ' 33' ' ' ILE . 4.1 mp -67.13 -26.67 37.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 75.239999999999995 111.116 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 62.5 m-20 -82.05 -25.98 34.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 73.319999999999993 110.905 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -58.4 -47.54 83.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 61.439999999999998 110.95 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.502 ' H ' HD12 ' A' ' 36' ' ' ILE . 5.3 mp -72.54 -51.81 26.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 72.319999999999993 111.115 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -51.98 -30.84 26.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 73.329999999999998 110.901 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 27.2 tptp -93.14 -25.67 17.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 63.25 110.921 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 57.9 t90 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 75.019999999999996 110.924 179.943 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.459 ' O ' ' HB2' ' A' ' 9' ' ' ALA . . . . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.861 0.363 . . . . 32.240000000000002 111.091 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -69.6 -36.81 76.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 75.329999999999998 110.894 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.549 HD13 HG21 ' A' ' 36' ' ' ILE . 8.0 mt -81.02 -47.59 13.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 65.239999999999995 110.942 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.695 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 90.9 t -63.6 -26.72 41.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 73.219999999999999 111.149 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.459 ' HB2' ' O ' ' A' ' 5' ' ' ALA . . . -56.92 -23.82 47.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 52.520000000000003 111.089 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.3 mtmm -113.82 -30.93 6.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 63.109999999999999 110.853 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -83.61 -63.49 1.34 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 72.230000000000004 110.845 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 113.71 173.7 18.54 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.715 -0.755 . . . . 72.109999999999999 112.465 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.695 ' CZ3' HG11 ' A' ' 8' ' ' VAL . 5.8 m95 -67.93 -52.47 24.19 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.559 0.695 . . . . 62.0 110.952 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.635 ' HD2' ' N ' ' A' ' 13' ' ' TRP . 54.3 Cg_endo -69.68 -8.71 24.29 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.707 2.271 . . . . 62.119999999999997 112.339 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -102.52 -38.3 7.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.436 . . . . 73.040000000000006 110.851 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.553 HD11 HG21 ' A' ' 23' ' ' ILE . 1.0 OUTLIER -75.67 -30.02 21.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.461 . . . . 60.229999999999997 111.144 179.931 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -72.76 -19.57 61.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 71.049999999999997 110.903 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.36 -32.09 73.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 75.409999999999997 110.899 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -144.26 39.98 1.33 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 74.420000000000002 110.858 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -61.46 -41.45 97.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 75.109999999999999 110.903 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 20.5 ttpp -57.22 -25.66 59.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.115 -0.493 . . . . 73.439999999999998 110.916 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -93.67 -36.57 12.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.451 . . . . 63.420000000000002 110.933 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.553 HG21 HD11 ' A' ' 16' ' ' ILE . 7.5 mt -70.15 -59.84 3.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 61.350000000000001 111.138 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -55.57 -26.06 41.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 63.520000000000003 110.896 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -69.62 -26.18 64.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.431 . . . . 63.020000000000003 110.865 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -73.94 -41.39 62.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 74.200000000000003 110.885 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 51.6 mm -57.1 -50.24 77.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 74.230000000000004 111.126 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.32 -19.55 59.87 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.748 -0.739 . . . . 73.129999999999995 112.493 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -82.96 -27.54 30.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.824 0.345 . . . . 72.510000000000005 110.928 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 109.85 19.84 7.96 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.74 -0.743 . . . . 71.230000000000004 112.517 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 6.9 m0 -76.6 138.45 40.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.886 0.374 . . . . 64.310000000000002 110.906 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 23.1 p -65.98 -179.79 0.79 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.244 -0.435 . . . . 73.430000000000007 111.155 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.457 HD12 ' H ' ' A' ' 33' ' ' ILE . 5.1 mp -73.81 -42.96 53.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 64.430000000000007 111.149 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -67.19 -26.24 66.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 73.319999999999993 110.844 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -54.72 -51.77 64.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 74.409999999999997 110.914 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.549 HG21 HD13 ' A' ' 7' ' ' LEU . 5.3 mp -73.42 -49.76 34.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 70.530000000000001 111.11 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -52.11 -30.05 24.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 71.019999999999996 110.887 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.3 tppt? -95.18 -27.87 15.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 74.239999999999995 110.885 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 64.7 t90 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.248 -0.433 . . . . 74.519999999999996 110.921 179.901 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.862 0.363 . . . . 53.520000000000003 111.106 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.726 ' HD3' HD11 ' A' ' 33' ' ' ILE . 25.1 mttt -60.31 -46.67 89.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 70.299999999999997 110.937 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.86 HD13 HG21 ' A' ' 36' ' ' ILE . 9.1 mt -87.17 -35.11 18.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 73.109999999999999 110.941 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.66 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 86.5 t -67.07 -26.01 35.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 74.420000000000002 111.103 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.36 -21.66 50.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 73.409999999999997 111.07 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 33.6 mttm -116.06 -28.15 6.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 63.25 110.892 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -87.01 -61.81 1.64 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 74.099999999999994 110.887 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 114.08 172.97 18.09 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.762 -0.732 . . . . 72.340000000000003 112.52 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.66 ' CZ3' HG11 ' A' ' 8' ' ' VAL . 5.5 m95 -68.1 -52.61 22.39 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.51 0.672 . . . . 55.020000000000003 110.899 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.634 ' HD2' ' N ' ' A' ' 13' ' ' TRP . 54.0 Cg_endo -69.75 -10.12 27.79 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.687 2.258 . . . . 62.130000000000003 112.356 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -99.7 -45.39 5.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.432 . . . . 74.420000000000002 110.841 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.604 HD11 HG21 ' A' ' 23' ' ' ILE . 1.0 OUTLIER -65.28 -29.66 47.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 64.340000000000003 111.136 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.1 ptmm? -75.25 -18.23 60.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 71.310000000000002 110.892 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.8 ttmm -71.8 -25.8 62.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 73.329999999999998 110.896 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -144.03 35.11 1.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.434 . . . . 52.210000000000001 110.868 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -65.34 -30.88 71.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 73.299999999999997 110.914 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 34.4 tttp -54.88 -41.96 71.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 71.439999999999998 110.933 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 21.7 mm100 -84.11 -46.05 12.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 72.349999999999994 110.878 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.604 HG21 HD11 ' A' ' 16' ' ' ILE . 21.7 mt -51.97 -63.57 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 65.230000000000004 111.122 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.68 ' HA ' HD12 ' A' ' 27' ' ' ILE . 3.8 ptm -54.43 -28.02 41.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 61.520000000000003 110.867 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -76.08 -29.72 58.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.28 -0.418 . . . . 74.530000000000001 110.925 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -74.67 -31.48 61.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 71.109999999999999 110.899 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.68 HD12 ' HA ' ' A' ' 24' ' ' MET . 57.1 mt -60.79 -51.72 69.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 62.32 111.137 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -61.49 -19.56 57.96 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.747 -0.739 . . . . 52.439999999999998 112.51 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 45.6 tp60 -80.46 -26.59 38.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.838 0.351 . . . . 53.340000000000003 110.916 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 106.56 26.77 5.76 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.776 -0.726 . . . . 75.109999999999999 112.522 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 16.3 m0 -81.64 133.97 35.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.778 0.323 . . . . 74.140000000000001 110.971 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.475 ' O ' HD12 ' A' ' 36' ' ' ILE . 43.6 p -75.51 174.19 9.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.289 -0.414 . . . . 63.009999999999998 111.152 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.726 HD11 ' HD3' ' A' ' 6' ' ' LYS . 58.1 mt -59.61 -34.65 55.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 62.310000000000002 111.093 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -71.28 -38.16 71.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 74.319999999999993 110.882 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.18 -54.28 32.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.436 . . . . 65.219999999999999 110.913 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.86 HG21 HD13 ' A' ' 7' ' ' LEU . 5.3 mp -73.06 -47.64 47.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 73.230000000000004 111.14 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -52.98 -28.81 25.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.475 . . . . 72.010000000000005 110.906 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.6 mmmm -98.01 -25.27 15.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 63.399999999999999 110.902 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 47.0 t90 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 72.129999999999995 110.897 179.942 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.861 0.363 . . . . 74.049999999999997 111.142 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -57.91 -27.32 63.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 71.310000000000002 110.906 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.654 HD13 HG21 ' A' ' 36' ' ' ILE . 9.1 mt -103.01 -34.05 9.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 72.010000000000005 110.947 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.762 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 89.5 t -68.71 -28.78 41.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 73.200000000000003 111.14 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.92 -25.7 31.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 71.329999999999998 111.092 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.9 mptt -110.17 -37.37 5.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 74.409999999999997 110.891 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -78.77 -69.04 0.59 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 72.319999999999993 110.901 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.437 ' O ' HG22 ' A' ' 16' ' ' ILE . . . 114.03 175.3 18.91 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.752 -0.737 . . . . 75.120000000000005 112.49 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.762 ' CZ3' HG11 ' A' ' 8' ' ' VAL . 5.8 m95 -68.15 -52.41 22.81 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.616 0.722 . . . . 74.299999999999997 110.937 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.619 ' HD2' ' N ' ' A' ' 13' ' ' TRP . 53.4 Cg_endo -69.76 -8.55 23.89 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.709 2.272 . . . . 61.329999999999998 112.328 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -103.01 -36.9 8.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 75.140000000000001 110.9 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.788 HG13 HD13 ' A' ' 23' ' ' ILE . 17.7 tt -78.04 -29.79 15.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 75.040000000000006 111.107 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 13.1 pttp -69.28 -20.6 63.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 74.129999999999995 110.891 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 50.2 mmtt -64.64 -34.06 77.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 71.140000000000001 110.858 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.483 ' C ' HD12 ' A' ' 23' ' ' ILE . 83.3 m-85 -143.08 41.53 1.52 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 75.310000000000002 110.877 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 29.9 t80 -61.66 -31.87 72.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 74.040000000000006 110.931 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 67.5 mmtt -63.05 -25.75 68.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.487 . . . . 61.229999999999997 110.935 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.5 tp-100 -101.04 -33.82 10.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 62.43 110.912 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.788 HD13 HG13 ' A' ' 16' ' ' ILE . 11.9 mt -66.9 -59.32 3.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.436 . . . . 61.020000000000003 111.1 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 11.3 ptm -52.45 -29.73 26.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 74.430000000000007 110.831 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 20.0 mm-40 -63.13 -46.18 88.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 73.109999999999999 110.948 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -52.15 -50.59 61.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 75.109999999999999 110.885 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 50.8 mm -51.72 -50.64 30.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 73.209999999999994 111.141 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -69.45 -19.2 74.27 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.74 -0.743 . . . . 74.420000000000002 112.493 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -78.91 -34.64 44.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.829 0.347 . . . . 74.200000000000003 110.941 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 113.25 22.16 5.64 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.711 -0.757 . . . . 41.229999999999997 112.438 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 13.6 m0 -81.44 135.66 35.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.833 0.349 . . . . 72.450000000000003 110.946 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.478 ' O ' HD12 ' A' ' 36' ' ' ILE . 60.4 p -63.01 171.24 2.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 75.129999999999995 111.134 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.472 HD12 ' H ' ' A' ' 33' ' ' ILE . 4.4 mp -66.62 -28.57 43.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 52.109999999999999 111.147 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -81.94 -24.36 35.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 73.150000000000006 110.86 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.4 mm100 -61.44 -50.25 73.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 63.020000000000003 110.9 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.654 HG21 HD13 ' A' ' 7' ' ' LEU . 5.3 mp -74.18 -49.67 31.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 72.430000000000007 111.161 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -53.92 -27.67 32.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 72.329999999999998 110.905 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -96.94 -26.72 14.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 71.430000000000007 110.925 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 44.8 t90 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.448 . . . . 71.340000000000003 110.949 179.88 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.848 0.356 . . . . 71.310000000000002 111.103 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.41 -29.87 25.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 72.420000000000002 110.897 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.491 HD22 ' HB ' ' A' ' 36' ' ' ILE . 8.3 mt -80.75 -45.8 16.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 62.450000000000003 110.936 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.712 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 90.4 t -64.62 -24.11 34.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 63.439999999999998 111.128 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.51 -23.82 42.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 72.329999999999998 111.121 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 56.4 mmtt -115.36 -37.5 4.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 74.209999999999994 110.888 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -75.21 -67.99 0.6 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.277 -0.42 . . . . 74.209999999999994 110.879 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 113.15 175.47 19.32 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.77 -0.729 . . . . 72.510000000000005 112.46 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.712 ' CZ3' HG11 ' A' ' 8' ' ' VAL . 5.6 m95 -68.2 -52.56 21.88 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.553 0.692 . . . . 73.340000000000003 110.95 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.632 ' HD2' ' N ' ' A' ' 13' ' ' TRP . 53.5 Cg_endo -69.82 -8.62 24.07 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.657 2.238 . . . . 64.519999999999996 112.299 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -102.51 -38.31 7.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.435 . . . . 75.540000000000006 110.861 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.7 HD13 HG22 ' A' ' 8' ' ' VAL . 1.3 tt -75.7 -29.87 20.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 74.209999999999994 111.173 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.8 pttp -69.85 -20.32 63.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.144 -0.48 . . . . 62.200000000000003 110.911 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.5 tmtm? -72.24 -23.82 61.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 73.109999999999999 110.924 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.463 ' O ' HD12 ' A' ' 23' ' ' ILE . 62.7 m-85 -145.18 39.82 1.21 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 73.439999999999998 110.905 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -67.51 -25.82 66.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.081 -0.509 . . . . 75.25 110.878 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.5 tptm -72.94 -25.26 60.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 65.109999999999999 110.908 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 17.8 tp60 -94.67 -48.92 5.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 73.219999999999999 110.911 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.49 HD13 HG13 ' A' ' 16' ' ' ILE . 10.0 mt -57.13 -60.16 2.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 61.32 111.124 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.8 tpt -55.47 -25.74 38.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 75.200000000000003 110.873 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -72.08 -37.69 69.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 74.209999999999994 110.949 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -59.08 -32.65 69.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 44.509999999999998 110.913 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 58.0 mt -51.59 -69.61 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 74.319999999999993 111.078 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -53.48 -37.9 56.85 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.686 -0.768 . . . . 62.43 112.517 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -53.91 -28.51 37.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.846 0.355 . . . . 62.039999999999999 110.927 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 103.63 22.14 9.23 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.683 -0.77 . . . . 30.43 112.487 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 9.2 m0 -82.46 136.64 34.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.824 0.345 . . . . 73.0 110.933 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.455 ' O ' HD12 ' A' ' 36' ' ' ILE . 32.1 p -67.7 174.72 3.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 70.439999999999998 111.166 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.5 HD12 ' H ' ' A' ' 33' ' ' ILE . 4.5 mp -69.13 -29.36 42.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 75.430000000000007 111.117 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -80.03 -25.9 40.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 75.409999999999997 110.835 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 32.7 mm-40 -56.82 -46.11 81.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 73.219999999999999 110.936 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.491 ' HB ' HD22 ' A' ' 7' ' ' LEU . 5.3 mp -73.67 -53.76 17.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 72.340000000000003 111.162 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -52.0 -30.06 23.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 75.329999999999998 110.945 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 69.0 mttt -91.34 -31.97 15.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.494 . . . . 73.120000000000005 110.867 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 73.7 t90 . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.226 -0.443 . . . . 64.129999999999995 110.937 179.92 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.84 0.353 . . . . 43.25 111.092 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.0 mtmt -55.23 -47.4 75.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 70.109999999999999 110.882 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.693 HD11 HD11 ' A' ' 27' ' ' ILE . 9.5 mt -79.53 -30.58 41.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 65.319999999999993 110.898 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.756 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 61.7 t -68.81 -26.67 33.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 62.0 111.152 179.808 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.42 -24.11 42.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 74.349999999999994 111.059 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 32.6 mttt -112.31 -39.23 4.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.275 -0.42 . . . . 64.209999999999994 110.867 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -76.96 -71.81 0.38 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 63.32 110.927 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.415 ' O ' HG22 ' A' ' 16' ' ' ILE . . . 116.85 176.82 17.84 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.738 -0.744 . . . . 64.450000000000003 112.461 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.756 ' CZ3' HG11 ' A' ' 8' ' ' VAL . 5.7 m95 -68.64 -52.55 18.67 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.545 0.688 . . . . 71.129999999999995 110.9 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.622 ' HD2' ' N ' ' A' ' 13' ' ' TRP . 54.1 Cg_endo -69.84 -8.61 24.03 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.664 2.243 . . . . 43.43 112.334 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -102.57 -40.54 6.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 74.5 110.885 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.518 HD13 HG22 ' A' ' 8' ' ' VAL . 3.5 tt -72.56 -22.05 20.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.151 -0.477 . . . . 61.43 111.131 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.411 ' HG2' ' HA ' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -77.82 -9.17 58.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 70.409999999999997 110.843 179.904 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 22.0 mtpp -90.93 -25.72 19.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 75.140000000000001 110.906 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -133.09 27.08 4.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 75.239999999999995 110.862 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -65.78 -25.46 67.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.129 -0.487 . . . . 74.439999999999998 110.925 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 33.4 ttmt -65.11 -32.83 74.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.079 -0.51 . . . . 74.340000000000003 110.921 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -95.78 -47.74 6.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 73.129999999999995 110.886 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.44 HD13 HG13 ' A' ' 16' ' ' ILE . 25.1 mt -51.63 -57.15 3.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.447 . . . . 64.030000000000001 111.182 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 34.4 ttp -56.5 -25.18 50.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 75.439999999999998 110.814 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -82.4 -28.11 31.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 63.119999999999997 110.942 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -73.93 -40.88 62.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 75.5 110.877 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.693 HD11 HD11 ' A' ' 7' ' ' LEU . 50.3 mm -59.16 -57.54 10.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 70.329999999999998 111.132 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -64.21 -19.22 63.75 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.741 -0.742 . . . . 41.420000000000002 112.472 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -74.45 -25.81 59.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.824 0.345 . . . . 62.219999999999999 110.914 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 106.64 22.27 7.8 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.703 -0.76 . . . . 74.140000000000001 112.493 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 6.1 m0 -84.43 138.32 32.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.831 0.348 . . . . 73.219999999999999 110.952 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.44 ' O ' HD12 ' A' ' 36' ' ' ILE . 21.2 p -61.35 174.98 0.62 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 63.210000000000001 111.165 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.52 HD12 ' H ' ' A' ' 33' ' ' ILE . 4.8 mp -71.78 -37.14 61.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 63.409999999999997 111.133 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -73.24 -25.79 60.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.445 . . . . 64.310000000000002 110.843 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 12.2 mm-40 -56.0 -50.9 69.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.443 . . . . 73.099999999999994 110.945 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.642 HG21 HD13 ' A' ' 7' ' ' LEU . 5.2 mp -72.58 -50.02 37.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 71.030000000000001 111.135 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -52.05 -30.29 25.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 72.549999999999997 110.873 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -95.03 -25.96 16.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 61.229999999999997 110.903 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 69.0 t90 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 73.530000000000001 110.925 179.93 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.884 0.373 . . . . 63.200000000000003 111.08 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 30.7 mmtt -58.95 -29.31 67.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 72.010000000000005 110.907 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.664 HD13 HG21 ' A' ' 36' ' ' ILE . 7.9 mt -84.58 -43.78 14.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 50.130000000000003 110.913 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.673 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 68.0 t -67.52 -25.0 32.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 62.539999999999999 111.119 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.82 -25.39 28.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 70.150000000000006 111.13 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 25.8 mmtm -113.37 -41.64 3.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 73.319999999999993 110.882 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -71.82 -72.93 0.2 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 61.140000000000001 110.87 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 125.49 174.65 13.98 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.741 -0.742 . . . . 64.120000000000005 112.478 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.673 ' CZ3' HG11 ' A' ' 8' ' ' VAL . 5.0 m95 -67.89 -52.72 23.42 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.531 0.682 . . . . 64.430000000000007 110.949 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.632 ' HD2' ' N ' ' A' ' 13' ' ' TRP . 53.8 Cg_endo -69.73 -8.58 23.98 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.661 2.24 . . . . 72.409999999999997 112.366 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -102.89 -35.57 8.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 73.340000000000003 110.874 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.481 ' CD1' HD13 ' A' ' 23' ' ' ILE . 1.2 tp -79.08 -29.6 13.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 72.230000000000004 111.108 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 13.2 ptmm? -72.94 -19.44 61.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 72.129999999999995 110.883 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 43.6 tttp -75.93 -25.82 56.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 74.230000000000004 110.913 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.426 ' O ' HD12 ' A' ' 23' ' ' ILE . 39.3 m-85 -132.34 27.58 4.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 64.209999999999994 110.886 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 54.6 t80 -62.73 -27.0 68.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 72.530000000000001 110.931 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.1 tptm -68.58 -32.67 72.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 71.230000000000004 110.927 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 -89.3 -49.14 6.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 73.239999999999995 110.876 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.481 HD13 ' CD1' ' A' ' 16' ' ' ILE . 8.9 mt -55.51 -59.41 2.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.445 . . . . 72.150000000000006 111.144 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 1.9 ttt -56.08 -25.56 45.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 65.450000000000003 110.852 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -76.24 -25.74 55.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 74.329999999999998 110.894 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -76.94 -35.45 57.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 63.439999999999998 110.922 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 44.4 mm -58.78 -45.27 91.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.493 . . . . 71.230000000000004 111.144 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -69.14 -19.44 73.97 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.733 -0.746 . . . . 12.35 112.493 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -81.15 -28.73 34.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.85 0.357 . . . . 54.32 110.915 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 110.93 22.16 6.39 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.72 -0.752 . . . . 63.530000000000001 112.436 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 12.5 m0 -76.88 135.08 38.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.844 0.354 . . . . 71.420000000000002 110.891 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.454 ' O ' HD12 ' A' ' 36' ' ' ILE . 15.5 p -68.79 171.89 7.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.269 -0.423 . . . . 74.109999999999999 111.097 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 55.8 mt -66.18 -25.29 35.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 73.25 111.061 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -83.36 -26.25 30.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 65.439999999999998 110.876 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 11.6 mm-40 -58.97 -47.34 85.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 74.400000000000006 110.91 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.664 HG21 HD13 ' A' ' 7' ' ' LEU . 5.3 mp -73.33 -53.72 17.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 73.349999999999994 111.187 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -51.96 -30.12 23.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 74.420000000000002 110.903 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.6 ttmm -92.59 -25.68 18.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.104 -0.498 . . . . 72.549999999999997 110.89 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 62.2 t90 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 73.120000000000005 110.895 179.93 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.843 0.354 . . . . 63.210000000000001 111.106 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.6 mmmm -71.37 -28.62 64.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.266 -0.425 . . . . 75.019999999999996 110.93 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.757 HD13 HG21 ' A' ' 36' ' ' ILE . 6.4 mt -84.08 -46.13 12.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 74.109999999999999 110.884 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.698 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 48.8 t -67.3 -18.77 24.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 72.340000000000003 111.101 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.75 -24.32 34.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 71.340000000000003 111.117 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.86 -45.71 2.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 63.210000000000001 110.899 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -63.07 -72.67 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.26 -0.427 . . . . 55.030000000000001 110.893 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.402 ' O ' HG22 ' A' ' 16' ' ' ILE . . . 122.92 175.6 14.63 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.762 -0.732 . . . . 53.109999999999999 112.518 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.698 ' CZ3' HG11 ' A' ' 8' ' ' VAL . 4.7 m95 -68.2 -52.9 20.61 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 121.555 0.693 . . . . 75.340000000000003 110.942 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.63 ' HD2' ' N ' ' A' ' 13' ' ' TRP . 53.9 Cg_endo -69.73 -8.63 24.1 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.695 2.263 . . . . 65.340000000000003 112.342 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -102.03 -40.91 6.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 72.519999999999996 110.869 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.48 ' CD1' HD13 ' A' ' 23' ' ' ILE . 1.0 OUTLIER -72.08 -29.83 34.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 74.409999999999997 111.141 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 37.0 pttt -72.4 -19.67 61.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 74.209999999999994 110.914 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 31.2 mttp -70.86 -32.21 69.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 63.119999999999997 110.93 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -130.94 29.28 4.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 72.540000000000006 110.878 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.404 ' HA ' HD12 ' A' ' 23' ' ' ILE . 74.5 t80 -64.35 -29.69 70.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.103 -0.498 . . . . 74.349999999999994 110.962 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.63 -35.98 73.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.101 -0.499 . . . . 75.420000000000002 110.897 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 57.6 mt-30 -89.85 -45.39 9.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 64.310000000000002 110.915 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.48 HD13 ' CD1' ' A' ' 16' ' ' ILE . 15.0 mt -51.57 -64.06 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 73.549999999999997 111.192 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -54.98 -27.1 41.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 62.0 110.91 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 25.1 mm-40 -76.63 -28.54 56.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 72.239999999999995 110.946 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -74.24 -38.61 63.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 75.209999999999994 110.875 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 50.1 mm -56.98 -50.87 74.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 51.030000000000001 111.145 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -67.62 -19.41 71.04 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.788 -0.72 . . . . 72.340000000000003 112.469 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 13.1 tp60 -78.25 -26.01 47.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.845 0.355 . . . . 70.120000000000005 110.917 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 110.73 19.47 7.78 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.748 -0.739 . . . . 50.140000000000001 112.45 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 11.1 m0 -78.49 135.64 37.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.85 0.357 . . . . 75.019999999999996 110.942 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 20.1 p -68.08 172.98 4.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 75.510000000000005 111.177 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.47 HD12 ' H ' ' A' ' 33' ' ' ILE . 4.5 mp -67.27 -27.03 37.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 64.239999999999995 111.116 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -82.11 -26.19 33.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.185 -0.461 . . . . 63.229999999999997 110.82 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -57.24 -44.38 83.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 71.239999999999995 110.901 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.757 HG21 HD13 ' A' ' 7' ' ' LEU . 5.4 mp -77.01 -54.02 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 73.439999999999998 111.168 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -51.83 -30.05 21.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.167 -0.47 . . . . 75.430000000000007 110.937 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 24.3 mtpp -91.41 -25.87 19.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 62.43 110.941 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 78.3 t90 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 61.329999999999998 110.925 179.905 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.406 ' O ' ' HB2' ' A' ' 9' ' ' ALA . . . . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.893 0.378 . . . . 35.310000000000002 111.141 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 29.8 mttp -61.9 -48.54 80.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 73.549999999999997 110.896 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 1.018 HD13 HG21 ' A' ' 36' ' ' ILE . 7.6 mt -82.4 -36.55 26.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.274 -0.421 . . . . 72.430000000000007 110.938 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.661 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 87.9 t -67.05 -26.6 37.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 61.210000000000001 111.107 179.805 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.406 ' HB2' ' O ' ' A' ' 5' ' ' ALA . . . -58.38 -21.63 50.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 54.420000000000002 111.097 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -116.08 -28.04 6.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 62.43 110.84 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -87.54 -62.13 1.57 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 75.519999999999996 110.861 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 114.35 173.37 18.1 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.698 -0.763 . . . . 73.450000000000003 112.506 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.661 ' CZ3' HG11 ' A' ' 8' ' ' VAL . 5.4 m95 -68.18 -52.64 21.73 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.603 0.716 . . . . 75.329999999999998 110.963 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.626 ' HD2' ' N ' ' A' ' 13' ' ' TRP . 53.6 Cg_endo -69.75 -8.59 23.99 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.661 2.241 . . . . 74.200000000000003 112.341 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -102.23 -39.8 7.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 75.140000000000001 110.871 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.57 HD11 HG21 ' A' ' 23' ' ' ILE . 0.9 OUTLIER -73.26 -30.33 30.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 75.519999999999996 111.159 179.93 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -72.04 -19.86 61.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.472 . . . . 70.299999999999997 110.881 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.92 -22.6 64.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 72.549999999999997 110.941 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -147.83 37.41 0.89 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 73.439999999999998 110.874 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 38.2 t80 -73.22 -8.47 55.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 73.310000000000002 110.903 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.3 tptm -77.21 -25.0 51.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 70.340000000000003 110.922 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -109.15 -36.58 6.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 73.040000000000006 110.934 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.57 HG21 HD11 ' A' ' 16' ' ' ILE . 39.1 mt -61.37 -57.31 12.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 62.399999999999999 111.122 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 3.3 ttp -58.46 -22.39 54.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 63.229999999999997 110.885 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 24.4 mm-40 -81.68 -44.55 16.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 71.010000000000005 110.874 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -51.92 -34.78 43.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 61.329999999999998 110.875 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 60.9 mt -55.75 -46.85 79.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.485 . . . . 74.219999999999999 111.105 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -74.88 -19.31 79.98 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.773 -0.727 . . . . 55.539999999999999 112.512 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -75.67 -25.99 57.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.865 0.364 . . . . 75.439999999999998 110.888 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 111.9 20.36 6.84 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.723 -0.751 . . . . 72.409999999999997 112.464 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 16.0 m0 -82.49 136.67 34.84 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.833 0.349 . . . . 72.349999999999994 110.899 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.478 ' O ' HD12 ' A' ' 36' ' ' ILE . 46.7 p -83.02 176.95 8.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.26 -0.427 . . . . 63.539999999999999 111.126 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.464 HG22 ' CD ' ' A' ' 37' ' ' GLU . 3.8 mp -61.18 -31.63 50.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 63.32 111.138 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -74.43 -34.28 63.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 55.520000000000003 110.867 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.08 -55.95 26.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 64.349999999999994 110.874 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 1.018 HG21 HD13 ' A' ' 7' ' ' LEU . 5.2 mp -69.96 -50.26 49.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 71.420000000000002 111.191 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.464 ' CD ' HG22 ' A' ' 33' ' ' ILE . 82.6 mt-10 -51.86 -36.91 50.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 72.120000000000005 110.899 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 39.5 tttp -86.64 -25.5 24.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 65.409999999999997 110.89 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 52.7 t90 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 52.299999999999997 110.935 179.923 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.462 ' O ' ' HB2' ' A' ' 9' ' ' ALA . . . . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.844 0.354 . . . . 73.530000000000001 111.065 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 19.7 mmtp -70.52 -26.83 63.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 73.099999999999994 110.927 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.828 HD13 HG21 ' A' ' 36' ' ' ILE . 6.6 mt -84.86 -51.57 6.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 73.349999999999994 110.906 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.638 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 99.1 t -65.11 -23.77 33.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 61.409999999999997 111.117 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.462 ' HB2' ' O ' ' A' ' 5' ' ' ALA . . . -57.14 -23.46 47.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 71.409999999999997 111.099 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? -116.47 -33.02 5.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 71.310000000000002 110.92 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -78.83 -64.32 1.21 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 72.409999999999997 110.899 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 116.65 173.37 16.83 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.732 -0.747 . . . . 64.310000000000002 112.49 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.638 ' CZ3' HG11 ' A' ' 8' ' ' VAL . 5.9 m95 -67.99 -52.29 24.44 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.583 0.706 . . . . 75.299999999999997 110.904 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.633 ' HD2' ' N ' ' A' ' 13' ' ' TRP . 53.4 Cg_endo -69.82 -8.29 23.23 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.745 2.297 . . . . 71.329999999999998 112.314 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -103.3 -27.85 12.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 72.209999999999994 110.844 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.783 HD12 HD13 ' A' ' 23' ' ' ILE . 3.9 tp -88.01 -29.94 5.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 75.349999999999994 111.195 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 36.8 pttt -71.58 -20.12 62.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 64.25 110.904 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 28.0 mmtm -72.53 -25.99 61.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 75.200000000000003 110.902 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -140.38 36.7 1.87 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 64.230000000000004 110.889 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 64.7 t80 -69.23 -30.34 68.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 53.240000000000002 110.918 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.2 tppt? -69.95 -25.77 63.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 73.349999999999994 110.879 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 13.4 tp60 -94.47 -39.96 10.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 62.210000000000001 110.906 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.783 HD13 HD12 ' A' ' 16' ' ' ILE . 29.6 mt -69.49 -55.64 14.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 64.319999999999993 111.096 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -55.92 -25.31 42.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 73.430000000000007 110.898 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 22.2 mm-40 -71.16 -25.59 62.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 64.030000000000001 110.903 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -77.69 -40.43 41.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 55.219999999999999 110.915 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 50.5 mm -51.76 -46.68 39.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 71.439999999999998 111.112 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -75.13 -19.18 79.94 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.752 -0.737 . . . . 62.32 112.495 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -77.45 -30.13 53.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.843 0.354 . . . . 71.329999999999998 110.891 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 112.59 26.57 4.16 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.73 -0.748 . . . . 61.030000000000001 112.505 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 10.2 m0 -79.21 154.62 29.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.813 0.34 . . . . 73.340000000000003 110.907 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.458 ' O ' HD12 ' A' ' 36' ' ' ILE . 20.2 p -89.66 162.74 15.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.447 . . . . 65.450000000000003 111.146 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 65.4 mt -58.96 -25.04 28.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 73.019999999999996 111.138 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -82.91 -31.79 27.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 62.420000000000002 110.898 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -56.78 -46.87 81.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 73.530000000000001 110.888 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.828 HG21 HD13 ' A' ' 7' ' ' LEU . 5.3 mp -74.79 -52.44 19.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 63.020000000000003 111.158 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -51.79 -30.11 21.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 73.439999999999998 110.852 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.1 mmtt -90.47 -28.01 18.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 74.099999999999994 110.913 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 92.5 t90 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 74.129999999999995 110.915 179.931 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.844 0.354 . . . . 70.209999999999994 111.102 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 19.0 mmtm -54.23 -32.75 56.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 52.210000000000001 110.919 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 1.034 HD13 HG21 ' A' ' 36' ' ' ILE . 6.3 mt -85.08 -37.67 20.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.451 . . . . 63.450000000000003 110.911 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.768 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 26.1 t -71.47 -14.71 17.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 35.32 111.163 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.7 -23.51 42.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 54.43 111.171 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -123.49 -48.26 1.95 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 73.109999999999999 110.89 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -58.67 -73.58 0.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 73.420000000000002 110.842 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.445 ' O ' HG22 ' A' ' 16' ' ' ILE . . . 121.29 174.97 14.98 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.743 -0.742 . . . . 65.109999999999999 112.44 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.768 ' CZ3' HG11 ' A' ' 8' ' ' VAL . 6.0 m95 -67.0 -52.4 31.56 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.615 0.722 . . . . 72.140000000000001 110.936 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.638 ' HD2' ' N ' ' A' ' 13' ' ' TRP . 54.3 Cg_endo -69.78 -8.51 23.79 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.655 2.237 . . . . 60.420000000000002 112.329 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -104.22 -28.81 11.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 61.329999999999998 110.855 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.566 HD11 HG21 ' A' ' 23' ' ' ILE . 1.0 OUTLIER -89.3 -29.62 5.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.152 -0.477 . . . . 53.43 111.181 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 42.5 pttt -67.23 -21.31 65.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 75.340000000000003 110.905 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 52.9 mttm -63.54 -28.52 70.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 65.549999999999997 110.861 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.437 ' C ' HD12 ' A' ' 23' ' ' ILE . 74.5 m-85 -142.63 32.47 1.45 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 73.310000000000002 110.882 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 76.3 t80 -63.66 -26.12 68.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.466 . . . . 64.430000000000007 110.974 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -66.11 -32.45 73.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.058 -0.519 . . . . 63.409999999999997 110.875 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -92.43 -44.44 8.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 70.25 110.873 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.566 HG21 HD11 ' A' ' 16' ' ' ILE . 11.8 mt -54.81 -62.13 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 73.129999999999995 111.18 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 4.8 tmm? -55.98 -25.25 43.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 73.150000000000006 110.889 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -74.14 -26.64 60.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 61.420000000000002 110.907 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -75.02 -35.71 61.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 62.409999999999997 110.863 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 44.5 mm -52.33 -43.57 40.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.478 . . . . 73.099999999999994 111.16 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -70.93 -19.44 77.0 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.71 -0.757 . . . . 72.120000000000005 112.484 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 58.6 tp60 -81.53 -28.33 34.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.822 0.344 . . . . 74.230000000000004 110.89 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 110.79 26.97 4.51 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.753 -0.737 . . . . 53.240000000000002 112.457 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 19.4 m0 -83.02 133.04 35.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.869 0.366 . . . . 71.530000000000001 110.895 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 19.2 p -78.14 177.21 8.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 70.430000000000007 111.147 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.52 HD12 ' H ' ' A' ' 33' ' ' ILE . 4.5 mp -60.85 -30.68 47.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 70.0 111.16 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -74.8 -35.68 62.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 61.149999999999999 110.873 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.529 ' HA ' HE21 ' A' ' 35' ' ' GLN . 0.0 OUTLIER -53.84 -48.15 70.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 73.129999999999995 110.884 -179.889 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 1.034 HG21 HD13 ' A' ' 7' ' ' LEU . 5.2 mp -79.01 -51.14 17.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 75.040000000000006 111.106 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -51.47 -30.65 20.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 75.439999999999998 110.866 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 55.9 mmtt -90.17 -42.07 11.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 64.510000000000005 110.882 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 64.3 t90 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.444 . . . . 70.099999999999994 110.923 179.925 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.506 ' O ' ' HB2' ' A' ' 9' ' ' ALA . . . . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.867 0.365 . . . . 72.349999999999994 111.081 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 65.8 mmtt -77.68 -26.18 50.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 75.200000000000003 110.905 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.668 HD13 HG21 ' A' ' 36' ' ' ILE . 7.0 mt -88.02 -48.45 7.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.258 -0.428 . . . . 65.349999999999994 110.913 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.675 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 90.1 t -65.92 -27.96 42.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 75.430000000000007 111.148 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.506 ' HB2' ' O ' ' A' ' 5' ' ' ALA . . . -53.96 -26.95 28.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 74.140000000000001 111.074 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 55.0 mmtt -110.48 -36.65 5.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 72.430000000000007 110.937 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -77.21 -68.77 0.58 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 74.030000000000001 110.911 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 120.81 173.93 14.93 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.792 -0.718 . . . . 65.510000000000005 112.503 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.675 ' CZ3' HG11 ' A' ' 8' ' ' VAL . 5.9 m95 -67.74 -52.34 26.16 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-O 121.572 0.701 . . . . 70.129999999999995 110.932 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.634 ' HD2' ' N ' ' A' ' 13' ' ' TRP . 53.5 Cg_endo -69.78 -8.26 23.15 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.717 2.278 . . . . 65.519999999999996 112.342 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -105.12 -28.36 11.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 74.120000000000005 110.872 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.799 HD12 HD13 ' A' ' 23' ' ' ILE . 3.4 tp -86.45 -29.04 5.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 74.430000000000007 111.123 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 10.8 pttp -74.43 -19.13 60.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 73.319999999999993 110.878 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 36.3 tttm -76.81 -27.59 55.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.439 . . . . 61.5 110.902 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -132.13 29.94 4.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.261 -0.427 . . . . 74.299999999999997 110.88 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -66.03 -25.94 67.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.116 -0.493 . . . . 54.420000000000002 110.941 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.4 tttp -65.89 -32.17 73.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.494 . . . . 73.319999999999993 110.868 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 61.6 mt-30 -88.73 -54.7 4.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.436 . . . . 73.109999999999999 110.882 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.799 HD13 HD12 ' A' ' 16' ' ' ILE . 11.5 mt -51.63 -60.13 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 73.099999999999994 111.112 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 15.0 ttt -55.65 -25.67 40.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 61.520000000000003 110.862 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.6 mm100 -77.8 -33.89 52.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 74.040000000000006 110.905 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -71.5 -36.58 71.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 71.239999999999995 110.87 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 50.3 mm -56.19 -43.7 77.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 72.420000000000002 111.139 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -72.68 -19.71 79.31 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.783 -0.723 . . . . 73.120000000000005 112.486 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 34.0 tp60 -80.75 -26.37 37.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.874 0.369 . . . . 63.43 110.901 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 111.88 21.55 6.32 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.749 -0.739 . . . . 40.310000000000002 112.503 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 12.0 m0 -75.65 135.18 40.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.847 0.356 . . . . 73.510000000000005 110.94 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.404 ' O ' HD12 ' A' ' 36' ' ' ILE . 82.6 p -72.22 171.0 12.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 72.510000000000005 111.153 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.499 HD12 ' H ' ' A' ' 33' ' ' ILE . 4.2 mp -64.49 -25.65 38.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 74.430000000000007 111.141 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -80.11 -28.22 39.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 73.109999999999999 110.886 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 65.4 mm-40 -58.75 -50.73 72.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 55.25 110.923 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.668 HG21 HD13 ' A' ' 7' ' ' LEU . 5.3 mp -70.48 -51.82 34.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 53.009999999999998 111.098 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -51.78 -30.05 21.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.468 . . . . 75.340000000000003 110.899 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 18.5 tptp -91.59 -27.03 18.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 72.209999999999994 110.882 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 72.0 t90 . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.218 -0.446 . . . . 73.109999999999999 110.895 179.947 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.866 0.365 . . . . 71.230000000000004 111.133 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 11.5 mmmt -79.79 -26.56 40.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 74.150000000000006 110.919 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.709 HD13 HG21 ' A' ' 36' ' ' ILE . 7.5 mt -90.53 -43.48 10.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.256 -0.429 . . . . 52.43 110.889 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.699 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 91.6 t -66.33 -30.29 49.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.201 -0.454 . . . . 75.420000000000002 111.138 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.99 -28.88 18.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 71.329999999999998 111.109 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -107.35 -39.7 5.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 73.230000000000004 110.884 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -75.81 -72.31 0.32 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 72.400000000000006 110.922 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 124.48 175.32 14.29 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.697 -0.763 . . . . 64.120000000000005 112.468 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.699 ' CZ3' HG11 ' A' ' 8' ' ' VAL . 5.4 m95 -68.38 -52.64 20.26 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.559 0.695 . . . . 62.020000000000003 110.918 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.624 ' HD2' ' N ' ' A' ' 13' ' ' TRP . 53.9 Cg_endo -69.72 -8.35 23.37 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.66 2.24 . . . . 74.25 112.395 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -105.4 -28.21 11.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 74.340000000000003 110.913 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.713 HG13 HD13 ' A' ' 23' ' ' ILE . 1.0 OUTLIER -87.79 -28.67 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 52.32 111.142 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.4 pttm -74.81 -18.68 60.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 72.049999999999997 110.862 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 32.2 mmtt -74.67 -26.93 60.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 74.439999999999998 110.93 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.591 ' C ' HD12 ' A' ' 23' ' ' ILE . 32.3 m-85 -130.02 25.5 5.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 74.200000000000003 110.866 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -58.22 -24.78 60.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.188 -0.46 . . . . 72.120000000000005 110.91 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -65.29 -40.6 94.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.087 -0.506 . . . . 74.129999999999995 110.876 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 38.2 mm-40 -85.84 -46.0 11.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 72.120000000000005 110.928 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.713 HD13 HG13 ' A' ' 16' ' ' ILE . 7.9 mt -51.79 -63.71 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 64.239999999999995 111.076 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 67.8 mmm -56.36 -24.88 47.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 62.240000000000002 110.904 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -79.77 -24.66 41.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 75.310000000000002 110.93 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -79.47 -35.91 39.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 75.510000000000005 110.868 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 51.0 mm -62.05 -49.94 82.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.134 -0.485 . . . . 64.219999999999999 111.14 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -67.61 -19.61 71.22 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.726 -0.749 . . . . 70.349999999999994 112.455 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 45.1 tp60 -78.82 -27.97 44.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.818 0.342 . . . . 55.229999999999997 110.853 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 112.5 20.15 6.7 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.7 -0.762 . . . . 33.399999999999999 112.477 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 14.8 m0 -77.6 134.34 38.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.835 0.35 . . . . 72.409999999999997 110.961 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.5 p -67.96 173.09 4.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 64.510000000000005 111.178 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.504 HD12 ' H ' ' A' ' 33' ' ' ILE . 4.3 mp -66.56 -25.21 34.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.289 -0.414 . . . . 70.340000000000003 111.134 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -82.97 -27.87 30.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.475 . . . . 62.149999999999999 110.89 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -56.01 -42.72 76.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 74.319999999999993 110.924 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.709 HG21 HD13 ' A' ' 7' ' ' LEU . 5.3 mp -80.3 -47.79 20.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 74.310000000000002 111.15 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -51.89 -29.99 22.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 73.510000000000005 110.822 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 25.6 tptp -91.79 -35.06 14.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 73.129999999999995 110.911 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 86.0 t90 . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.2 -0.454 . . . . 61.119999999999997 110.915 179.93 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.428 ' O ' ' HB2' ' A' ' 9' ' ' ALA . . . . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.835 0.35 . . . . 62.009999999999998 111.082 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 20.1 mmmt -63.25 -25.79 68.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.27 -0.423 . . . . 72.310000000000002 110.878 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.877 HD13 HG21 ' A' ' 36' ' ' ILE . 6.3 mt -94.41 -47.33 6.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 71.049999999999997 110.924 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.674 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 59.9 t -66.73 -20.23 26.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 64.349999999999994 111.104 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.428 ' HB2' ' O ' ' A' ' 5' ' ' ALA . . . -55.13 -25.35 31.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 73.129999999999995 111.131 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 25.0 mmmt -118.22 -41.71 2.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 72.430000000000007 110.908 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -66.37 -70.43 0.24 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.447 . . . . 53.439999999999998 110.867 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 121.39 174.18 14.77 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.772 -0.728 . . . . 54.039999999999999 112.51 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.674 ' CZ3' HG11 ' A' ' 8' ' ' VAL . 5.7 m95 -67.84 -52.43 25.06 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.572 0.701 . . . . 72.549999999999997 110.985 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.625 ' HD2' ' N ' ' A' ' 13' ' ' TRP . 53.9 Cg_endo -69.82 -8.29 23.24 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.682 2.254 . . . . 71.010000000000005 112.338 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -102.96 -32.71 9.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 71.200000000000003 110.852 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.444 HD11 HG21 ' A' ' 23' ' ' ILE . 1.1 tp -81.96 -29.67 9.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 55.43 111.119 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.93 -19.53 61.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 75.310000000000002 110.884 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.36 -32.62 64.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 74.120000000000005 110.873 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.457 ' C ' HD12 ' A' ' 23' ' ' ILE . 65.8 m-85 -128.54 29.43 5.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 71.420000000000002 110.875 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 69.4 t80 -62.19 -28.35 69.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 65.019999999999996 110.923 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.7 mtpt -66.49 -34.28 77.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.088 -0.505 . . . . 71.5 110.864 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -88.27 -47.3 8.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 73.540000000000006 110.902 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.457 HD12 ' C ' ' A' ' 19' ' ' PHE . 9.8 mt -54.17 -62.9 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 71.299999999999997 111.142 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.572 ' HA ' HD12 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -55.9 -25.35 42.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 73.230000000000004 110.882 179.865 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 -75.5 -27.81 58.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 73.430000000000007 110.913 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -73.13 -32.51 64.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 72.349999999999994 110.877 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.572 HD12 ' HA ' ' A' ' 24' ' ' MET . 53.3 mt -59.98 -50.23 80.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 75.049999999999997 111.117 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -66.64 -19.52 69.2 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.732 -0.747 . . . . 62.310000000000002 112.513 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 56.4 tp60 -79.88 -27.61 40.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.86 0.362 . . . . 70.549999999999997 110.949 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 107.96 22.86 7.03 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.756 -0.735 . . . . 31.550000000000001 112.478 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 7.5 m0 -76.3 137.13 39.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.864 0.364 . . . . 75.439999999999998 110.914 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.468 ' O ' HD12 ' A' ' 36' ' ' ILE . 28.9 p -71.59 164.13 26.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 73.340000000000003 111.112 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 51.5 mm -59.52 -25.22 30.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 45.210000000000001 111.162 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -82.11 -31.65 30.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.14 -0.482 . . . . 75.319999999999993 110.865 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 48.9 mm-40 -56.17 -48.88 75.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 73.0 110.903 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.877 HG21 HD13 ' A' ' 7' ' ' LEU . 5.3 mp -70.96 -54.31 18.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 64.200000000000003 111.115 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -51.93 -29.72 21.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 75.439999999999998 110.875 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 28.3 mmtp -91.57 -26.06 18.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 65.140000000000001 110.913 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 90.4 t90 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 75.540000000000006 110.955 179.896 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.425 ' O ' ' HB2' ' A' ' 9' ' ' ALA . . . . . . . . 0 N--CA 1.457 -0.087 0 CA-C-O 120.889 0.376 . . . . 71.019999999999996 111.097 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 30.4 mmtp -78.25 -33.99 49.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 75.129999999999995 110.893 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.45 HD13 HG21 ' A' ' 36' ' ' ILE . 8.8 mt -81.38 -44.8 17.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 75.439999999999998 110.889 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.652 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 83.9 t -67.63 -24.86 31.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 72.209999999999994 111.122 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.425 ' HB2' ' O ' ' A' ' 5' ' ' ALA . . . -56.57 -23.92 43.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 52.32 111.118 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 57.2 mmtt -113.69 -35.07 5.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 61.520000000000003 110.935 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -78.5 -66.7 0.82 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 64.329999999999998 110.913 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 119.27 173.78 15.59 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.72 -0.752 . . . . 53.109999999999999 112.499 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.652 ' CZ3' HG11 ' A' ' 8' ' ' VAL . 5.5 m95 -68.44 -52.63 19.89 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-O 121.57 0.7 . . . . 72.239999999999995 110.886 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.633 ' HD2' ' N ' ' A' ' 13' ' ' TRP . 53.4 Cg_endo -69.8 -8.98 24.97 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.633 2.222 . . . . 72.310000000000002 112.35 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -101.41 -43.98 5.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 72.319999999999993 110.888 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.689 HD12 HD13 ' A' ' 23' ' ' ILE . 3.5 tp -65.68 -30.03 48.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 63.25 111.085 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -73.92 -19.11 60.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 74.129999999999995 110.926 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 79.9 mttt -77.11 -26.36 53.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 72.409999999999997 110.921 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.537 ' O ' HD12 ' A' ' 23' ' ' ILE . 31.5 m-85 -131.37 27.55 4.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 65.109999999999999 110.892 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 58.3 t80 -64.61 -24.85 67.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 73.0 110.942 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.8 ttpt -67.39 -33.42 75.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.095 -0.502 . . . . 72.540000000000006 110.898 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 79.7 mm-40 -89.82 -53.48 4.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 61.200000000000003 110.898 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.689 HD13 HD12 ' A' ' 16' ' ' ILE . 7.3 mt -51.74 -56.94 4.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 74.219999999999999 111.155 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.721 ' HA ' HD12 ' A' ' 27' ' ' ILE . 13.9 tpt -56.88 -24.54 52.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 63.439999999999998 110.888 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 11.8 mm-40 -81.94 -29.57 32.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 73.129999999999995 110.894 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -74.97 -32.82 61.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 73.409999999999997 110.88 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.721 HD12 ' HA ' ' A' ' 24' ' ' MET . 47.8 mt -58.41 -68.36 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 71.209999999999994 111.116 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -52.99 -28.47 32.66 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.722 -0.752 . . . . 71.219999999999999 112.499 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -64.75 -30.37 71.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.848 0.356 . . . . 75.329999999999998 110.887 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 106.42 32.15 3.78 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.713 -0.756 . . . . 64.340000000000003 112.497 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 6.8 m0 -85.94 156.37 20.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.83 0.348 . . . . 75.129999999999995 110.938 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.487 ' O ' HD12 ' A' ' 36' ' ' ILE . 70.3 p -83.72 156.03 22.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 74.540000000000006 111.107 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.413 HD12 ' H ' ' A' ' 33' ' ' ILE . 3.6 mp -57.86 -24.35 22.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 74.319999999999993 111.123 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 61.6 m-20 -85.69 -27.66 25.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.467 . . . . 43.25 110.918 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -60.3 -45.95 91.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 74.230000000000004 110.873 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.51 ' H ' HD12 ' A' ' 36' ' ' ILE . 5.3 mp -72.77 -53.8 17.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 60.32 111.117 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -51.61 -30.55 21.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 75.329999999999998 110.89 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 21.9 mmmt -92.36 -25.14 18.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.492 . . . . 71.340000000000003 110.914 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 72.7 t90 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 71.129999999999995 110.944 179.893 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.907 0.384 . . . . 55.100000000000001 111.103 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.9 mmmt -62.78 -34.04 76.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 72.140000000000001 110.896 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.79 HD13 HG21 ' A' ' 36' ' ' ILE . 7.4 mt -82.01 -43.57 17.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 71.319999999999993 110.932 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.643 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 87.6 t -64.89 -25.03 36.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 64.129999999999995 111.132 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.44 -22.09 53.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 64.010000000000005 111.097 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 30.2 mmtp -116.82 -27.35 6.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 73.25 110.901 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -86.54 -60.27 2.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 75.319999999999993 110.874 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 112.46 173.02 18.98 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.741 -0.742 . . . . 64.540000000000006 112.457 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.643 ' CZ3' HG11 ' A' ' 8' ' ' VAL . 5.8 m95 -68.16 -52.45 22.6 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.571 0.701 . . . . 74.400000000000006 110.897 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.634 ' HD2' ' N ' ' A' ' 13' ' ' TRP . 54.3 Cg_endo -69.76 -8.89 24.75 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.672 2.248 . . . . 74.239999999999995 112.355 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -101.59 -41.9 6.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 72.120000000000005 110.847 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.585 HD11 HG21 ' A' ' 23' ' ' ILE . 2.9 tp -69.14 -30.44 46.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 73.209999999999994 111.139 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.5 -19.82 61.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 54.310000000000002 110.904 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.0 tptm -62.11 -42.11 98.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.455 . . . . 75.310000000000002 110.885 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.475 ' C ' HD12 ' A' ' 23' ' ' ILE . 86.2 m-85 -132.33 36.23 3.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 62.130000000000003 110.868 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 62.5 t80 -61.99 -26.2 68.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.172 -0.467 . . . . 54.299999999999997 110.926 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 33.1 tttm -62.01 -40.55 96.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 63.530000000000001 110.876 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 23.4 tp60 -85.45 -44.16 12.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 64.420000000000002 110.892 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.585 HG21 HD11 ' A' ' 16' ' ' ILE . 11.1 mt -56.56 -59.88 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 72.519999999999996 111.136 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 13.3 tpt -56.04 -25.42 44.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 74.420000000000002 110.879 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -74.55 -25.91 59.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 75.299999999999997 110.935 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -75.42 -43.03 51.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 73.409999999999997 110.909 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 50.0 mm -52.56 -40.24 32.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.11 -0.495 . . . . 74.239999999999995 111.148 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -74.37 -19.53 79.81 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.74 -0.743 . . . . 53.030000000000001 112.48 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 9.8 tp60 -82.98 -26.02 31.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.862 0.363 . . . . 74.129999999999995 110.909 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.15 20.27 9.9 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.743 -0.741 . . . . 63.450000000000003 112.501 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 6.2 m0 -71.46 138.74 49.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.854 0.359 . . . . 70.129999999999995 110.906 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.407 ' O ' HD12 ' A' ' 36' ' ' ILE . 21.1 p -65.4 166.39 10.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.242 -0.435 . . . . 62.020000000000003 111.169 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.518 HD12 ' H ' ' A' ' 33' ' ' ILE . 4.5 mp -66.7 -26.13 36.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 33.329999999999998 111.146 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 -82.43 -26.95 32.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 75.450000000000003 110.852 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 16.7 mm-40 -56.95 -44.98 83.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 74.099999999999994 110.929 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.79 HG21 HD13 ' A' ' 7' ' ' LEU . 5.4 mp -76.43 -47.92 28.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 74.129999999999995 111.118 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -52.38 -29.68 25.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 73.400000000000006 110.901 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -96.48 -25.27 15.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 72.329999999999998 110.93 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 46.9 t90 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.458 . . . . 73.519999999999996 110.916 179.932 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.898 0.38 . . . . 63.409999999999997 111.114 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 21.4 mmtp -55.84 -37.83 69.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 74.430000000000007 110.924 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.848 HD13 HG21 ' A' ' 36' ' ' ILE . 9.7 mt -81.15 -38.9 26.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 70.049999999999997 110.902 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.675 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 96.4 t -66.22 -26.04 37.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 74.409999999999997 111.151 179.803 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.65 -22.74 47.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 74.549999999999997 111.126 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 24.4 mmmt -114.46 -31.28 6.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 73.230000000000004 110.864 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -83.67 -64.05 1.24 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 72.450000000000003 110.91 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 115.33 173.63 17.69 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.768 -0.73 . . . . 62.450000000000003 112.544 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.675 ' CZ3' HG11 ' A' ' 8' ' ' VAL . 5.8 m95 -67.99 -52.47 23.74 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.576 0.703 . . . . 74.420000000000002 110.924 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.63 ' HD2' ' N ' ' A' ' 13' ' ' TRP . 54.1 Cg_endo -69.67 -10.65 29.17 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.725 2.283 . . . . 61.329999999999998 112.361 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -99.74 -41.87 7.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 74.129999999999995 110.859 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.625 HD11 HG21 ' A' ' 23' ' ' ILE . 1.2 tp -71.22 -30.01 38.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 73.25 111.13 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -73.84 -19.48 60.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 63.520000000000003 110.902 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.72 -26.35 65.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 74.140000000000001 110.901 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.408 ' C ' HD12 ' A' ' 23' ' ' ILE . 59.8 m-85 -146.41 37.43 1.01 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.44 . . . . 75.430000000000007 110.86 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 51.0 t80 -63.65 -25.92 68.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 73.239999999999995 110.895 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.3 mtmt -66.16 -36.0 81.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 74.420000000000002 110.911 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 12.3 tp60 -87.45 -45.59 10.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 73.129999999999995 110.917 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.625 HG21 HD11 ' A' ' 16' ' ' ILE . 11.9 mt -54.77 -63.04 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 61.310000000000002 111.134 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.599 ' SD ' HD12 ' A' ' 27' ' ' ILE . 11.7 tpt -56.43 -25.32 49.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 72.540000000000006 110.864 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.3 mm100 -70.54 -26.32 63.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 54.109999999999999 110.933 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -72.64 -36.56 68.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 74.430000000000007 110.877 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.599 HD12 ' SD ' ' A' ' 24' ' ' MET . 68.2 mt -54.92 -57.78 5.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 74.420000000000002 111.11 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -55.64 -28.34 51.46 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.715 -0.755 . . . . 50.020000000000003 112.486 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -73.45 -25.8 60.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.882 0.372 . . . . 72.219999999999999 110.932 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 102.23 20.44 12.38 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.73 -0.748 . . . . 75.200000000000003 112.511 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 9.1 m0 -72.47 140.88 48.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.85 0.357 . . . . 75.239999999999995 110.884 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.539 ' O ' HD12 ' A' ' 36' ' ' ILE . 57.1 p -72.09 156.8 38.8 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.205 -0.452 . . . . 75.25 111.142 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 48.0 mm -56.4 -24.7 19.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 72.109999999999999 111.154 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -81.41 -36.09 29.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 73.5 110.858 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 -52.65 -47.29 67.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 61.240000000000002 110.928 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.848 HG21 HD13 ' A' ' 7' ' ' LEU . 5.1 mp -69.43 -54.56 19.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 74.310000000000002 111.128 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -52.34 -31.13 31.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 64.040000000000006 110.896 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.4 tppt? -88.67 -26.56 21.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 55.200000000000003 110.888 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 48.0 t90 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.237 -0.438 . . . . 64.420000000000002 110.971 179.896 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.824 0.345 . . . . 55.240000000000002 111.105 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 54.2 mttp -56.05 -36.6 68.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 72.239999999999995 110.907 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.597 HD11 HD11 ' A' ' 27' ' ' ILE . 10.0 mt -75.4 -38.31 59.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.241 -0.436 . . . . 74.209999999999994 110.936 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.636 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 87.9 t -67.64 -24.13 30.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 71.439999999999998 111.121 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.23 -20.9 58.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 63.100000000000001 111.09 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -116.72 -27.31 6.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 71.430000000000007 110.876 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -87.25 -60.65 1.92 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 62.109999999999999 110.834 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 113.15 172.1 18.26 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.787 -0.72 . . . . 73.209999999999994 112.484 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.636 ' CZ3' HG11 ' A' ' 8' ' ' VAL . 5.8 m95 -67.83 -52.49 24.83 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.598 0.713 . . . . 63.109999999999999 110.929 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.626 ' HD2' ' N ' ' A' ' 13' ' ' TRP . 53.8 Cg_endo -69.77 -8.67 24.19 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.647 2.231 . . . . 75.0 112.355 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -101.51 -44.49 5.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 53.030000000000001 110.877 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.521 HD12 HD13 ' A' ' 23' ' ' ILE . 6.7 tp -64.6 -29.54 47.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 72.219999999999999 111.152 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.86 -18.75 60.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 73.030000000000001 110.916 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.61 -23.71 42.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 74.530000000000001 110.899 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -130.98 25.2 4.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 63.229999999999997 110.9 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -67.26 -25.7 66.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 55.210000000000001 110.966 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.0 mtpp -68.44 -23.78 64.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.108 -0.496 . . . . 71.439999999999998 110.9 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.16 -55.22 2.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 74.129999999999995 110.947 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.521 HD13 HD12 ' A' ' 16' ' ' ILE . 78.7 mt -50.96 -57.5 2.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.466 . . . . 72.140000000000001 111.096 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 6.3 tmm? -56.22 -24.63 43.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 63.329999999999998 110.868 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -83.88 -27.96 28.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 62.539999999999999 110.929 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -74.74 -32.56 62.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 74.409999999999997 110.89 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.597 HD11 HD11 ' A' ' 7' ' ' LEU . 44.3 mm -61.19 -54.09 40.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 71.120000000000005 111.159 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -58.6 -20.44 46.3 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.74 -0.743 . . . . 72.299999999999997 112.493 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 35.7 tp60 -78.92 -25.98 43.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.855 0.359 . . . . 61.119999999999997 110.886 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 112.09 20.8 6.56 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.769 -0.729 . . . . 71.140000000000001 112.515 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 13.7 m0 -79.33 136.14 36.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.801 0.334 . . . . 63.399999999999999 110.926 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 33.0 p -76.81 -172.82 2.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 74.219999999999999 111.127 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.424 HD12 ' H ' ' A' ' 33' ' ' ILE . 4.4 mp -70.48 -44.47 77.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.448 . . . . 75.010000000000005 111.093 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -63.87 -29.42 70.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 71.099999999999994 110.863 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.2 mm100 -55.93 -55.5 31.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 60.310000000000002 110.891 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.532 ' HB ' HD22 ' A' ' 7' ' ' LEU . 5.4 mp -76.57 -47.21 29.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 62.409999999999997 111.136 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 35.0 mm-40 -51.82 -30.26 22.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 53.240000000000002 110.905 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 51.9 tttt -96.14 -28.67 14.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 73.099999999999994 110.913 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 45.0 t90 . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.455 . . . . 70.439999999999998 110.903 179.921 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.419 ' O ' ' HB2' ' A' ' 9' ' ' ALA . . . . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.86 0.362 . . . . 54.140000000000001 111.097 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 29.5 mmtp -74.33 -30.43 62.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 74.239999999999995 110.89 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.552 HD11 HD11 ' A' ' 27' ' ' ILE . 7.8 mt -83.25 -46.81 12.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 74.319999999999993 110.869 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.759 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 94.5 t -66.2 -32.5 58.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 74.329999999999998 111.101 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.419 ' HB2' ' O ' ' A' ' 5' ' ' ALA . . . -51.39 -29.72 16.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.481 . . . . 71.209999999999994 111.087 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 21.7 mmmt -104.69 -39.96 6.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 73.439999999999998 110.891 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -77.74 -73.25 0.32 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 73.430000000000007 110.926 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 120.22 176.09 15.71 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.703 -0.76 . . . . 75.329999999999998 112.482 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.759 ' CZ3' HG11 ' A' ' 8' ' ' VAL . 5.1 m95 -68.74 -52.79 17.28 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.604 0.716 . . . . 72.349999999999994 110.937 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.625 ' HD2' ' N ' ' A' ' 13' ' ' TRP . 53.6 Cg_endo -69.8 -8.83 24.61 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.682 2.255 . . . . 71.219999999999999 112.292 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -101.45 -48.19 4.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.299 -0.41 . . . . 72.439999999999998 110.859 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.591 HD12 HG22 ' A' ' 8' ' ' VAL . 17.7 tt -61.42 -30.08 47.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 70.209999999999994 111.14 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.32 -22.39 66.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.113 -0.494 . . . . 75.049999999999997 110.863 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.8 tmtm? -73.17 -25.94 60.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 72.420000000000002 110.836 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -138.65 41.21 2.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 74.349999999999994 110.916 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 33.5 t80 -76.4 -25.06 54.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 53.299999999999997 110.928 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.68 -29.67 68.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 74.540000000000006 110.896 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 41.7 mm-40 -93.27 -54.56 3.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 73.140000000000001 110.914 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.416 HD13 HG13 ' A' ' 16' ' ' ILE . 42.0 mt -51.61 -57.14 3.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 71.109999999999999 111.104 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 15.6 tpt -56.15 -25.21 45.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 75.010000000000005 110.9 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -83.44 -26.96 29.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 74.409999999999997 110.882 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -76.05 -36.96 58.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 71.5 110.899 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.552 HD11 HD11 ' A' ' 7' ' ' LEU . 48.7 mm -64.3 -48.28 86.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 64.329999999999998 111.154 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.95 -20.88 69.15 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.743 -0.741 . . . . 72.519999999999996 112.466 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 47.7 tp60 -79.77 -31.24 40.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.875 0.369 . . . . 74.430000000000007 110.961 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 112.35 23.07 5.59 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.707 -0.759 . . . . 62.299999999999997 112.477 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 5.7 m0 -75.14 147.0 40.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.781 0.324 . . . . 74.439999999999998 110.979 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.427 ' O ' HD12 ' A' ' 36' ' ' ILE . 20.2 p -73.13 168.01 19.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 50.119999999999997 111.124 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.469 HD12 ' H ' ' A' ' 33' ' ' ILE . 4.1 mp -71.15 -24.28 24.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 75.329999999999998 111.09 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -87.9 2.49 51.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 70.129999999999995 110.883 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.5 mm100 -91.92 -44.25 9.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 74.310000000000002 110.917 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.507 ' H ' HD12 ' A' ' 36' ' ' ILE . 5.3 mp -74.45 -54.29 15.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 63.140000000000001 111.156 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -51.88 -30.19 22.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 75.209999999999994 110.884 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 13.4 mmmt -91.61 -26.07 18.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 75.340000000000003 110.91 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 53.3 t90 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.467 . . . . 75.239999999999995 110.934 179.937 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -129.06 -45.44 0.18 Allowed Glycine 0 N--CA 1.452 -0.257 0 CA-C-N 115.126 -0.943 . . . . 71.099999999999994 112.488 178.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -103.44 -25.47 13.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.784 0.326 . . . . 64.140000000000001 111.111 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.673 ' O ' HG23 ' A' ' 8' ' ' VAL . 43.5 mm -61.34 -41.62 90.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 73.109999999999999 111.09 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.64 -40.42 91.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 64.329999999999998 111.099 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 42.6 mmtt -57.42 -26.83 61.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 73.140000000000001 110.899 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.729 HD11 HD11 ' A' ' 27' ' ' ILE . 10.5 mt -95.76 -37.84 10.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 74.310000000000002 110.904 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.757 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 98.3 t -65.65 -30.41 50.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 55.5 111.138 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.0 -28.33 23.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 64.200000000000003 111.117 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 44.9 mmtm -105.65 -40.74 5.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.274 -0.421 . . . . 73.239999999999995 110.895 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.639 ' CE1' HD23 ' A' ' 40' ' ' LEU . 24.3 m-85 -76.69 -73.1 0.3 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 71.109999999999999 110.906 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.431 ' O ' HG22 ' A' ' 16' ' ' ILE . . . 117.53 176.2 17.29 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.73 -0.748 . . . . 54.310000000000002 112.536 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.757 ' CZ3' HG11 ' A' ' 8' ' ' VAL . 5.8 m95 -68.23 -52.38 22.31 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.577 0.703 . . . . 74.340000000000003 110.924 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.64 ' HD2' ' N ' ' A' ' 13' ' ' TRP . 54.0 Cg_endo -69.79 -8.65 24.13 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.727 2.284 . . . . 74.129999999999995 112.385 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.401 ' HE1' HD21 ' A' ' 40' ' ' LEU . 3.5 t80 -102.86 -37.21 7.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 73.310000000000002 110.89 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.515 HG13 HD13 ' A' ' 23' ' ' ILE . 18.5 tt -77.58 -29.9 16.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 75.040000000000006 111.106 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -69.01 -20.79 64.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 62.439999999999998 110.85 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.4 mmtp -66.18 -32.35 73.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 73.120000000000005 110.913 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -143.52 42.75 1.49 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 74.299999999999997 110.882 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 73.5 t80 -61.42 -26.46 67.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.14 -0.482 . . . . 61.43 110.906 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 35.5 tptt -69.79 -30.85 68.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 65.129999999999995 110.917 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -92.05 -45.54 8.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 73.209999999999994 110.946 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.515 HD13 HG13 ' A' ' 16' ' ' ILE . 41.3 mt -61.01 -57.34 12.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 71.439999999999998 111.106 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 3.2 ttt -56.79 -25.98 56.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 71.340000000000003 110.887 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.3 mm100 -70.42 -44.22 68.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 64.530000000000001 110.884 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -52.96 -51.31 61.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 64.219999999999999 110.85 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.729 HD11 HD11 ' A' ' 7' ' ' LEU . 51.0 mm -54.26 -48.65 66.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 73.329999999999998 111.161 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.81 -19.95 63.69 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.766 -0.73 . . . . 52.350000000000001 112.485 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 55.0 tp60 -84.0 -28.77 27.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.884 0.373 . . . . 75.019999999999996 110.93 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 110.9 21.46 6.71 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.8 -0.714 . . . . 75.25 112.523 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 9.2 m0 -76.21 136.46 39.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.851 0.358 . . . . 75.010000000000005 110.971 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.444 ' O ' HD12 ' A' ' 36' ' ' ILE . 31.0 p -61.1 165.11 4.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.277 -0.419 . . . . 73.450000000000003 111.165 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 66.3 mt -65.22 -25.19 36.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 65.349999999999994 111.13 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -83.77 -26.58 29.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 75.230000000000004 110.846 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.7 mm-40 -58.74 -46.49 87.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 63.450000000000003 110.926 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.504 HG21 HD13 ' A' ' 7' ' ' LEU . 5.4 mp -75.99 -52.31 18.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 71.200000000000003 111.137 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -52.04 -31.22 29.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.475 . . . . 75.040000000000006 110.864 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 57.2 mttt -89.3 -38.83 13.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.147 -0.479 . . . . 75.109999999999999 110.896 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 78.9 t90 -59.39 -36.45 75.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.439 . . . . 72.099999999999994 110.916 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.639 HD23 ' CE1' ' A' ' 11' ' ' PHE . 28.3 tp -96.55 -59.31 1.85 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 65.239999999999995 110.922 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.3 tptm 52.02 40.91 29.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 71.109999999999999 110.879 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 30.1 ttt180 59.21 53.52 5.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 70.420000000000002 110.881 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 7.9 t-80 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 71.129999999999995 110.857 179.992 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 104.56 55.0 0.76 Allowed Glycine 0 N--CA 1.451 -0.308 0 CA-C-N 115.192 -0.913 . . . . 64.140000000000001 112.461 178.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.638 ' HB3' HD12 ' A' ' 27' ' ' ILE . . . 55.73 32.1 18.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.837 0.351 . . . . 74.340000000000003 111.133 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.565 HG22 HG23 ' A' ' 8' ' ' VAL . 46.3 mm -101.42 -24.98 3.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 54.509999999999998 111.077 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.67 -27.88 69.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 71.140000000000001 111.098 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 19.8 mmmt -79.81 -34.43 39.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 53.020000000000003 110.877 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.498 HD22 ' HB ' ' A' ' 36' ' ' ILE . 9.6 mt -78.78 -43.75 24.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.264 -0.425 . . . . 65.140000000000001 110.888 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.664 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 89.8 t -66.25 -25.82 36.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 71.299999999999997 111.112 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.23 -22.22 51.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 62.240000000000002 111.071 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -115.24 -28.9 6.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 72.319999999999993 110.916 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -86.05 -62.28 1.56 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 72.340000000000003 110.873 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 114.2 172.78 17.94 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.766 -0.73 . . . . 75.120000000000005 112.473 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.664 ' CZ3' HG11 ' A' ' 8' ' ' VAL . 5.8 m95 -67.71 -52.39 26.18 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.552 0.691 . . . . 75.5 110.92 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.635 ' HD2' ' N ' ' A' ' 13' ' ' TRP . 54.1 Cg_endo -69.74 -8.76 24.43 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.655 2.236 . . . . 73.310000000000002 112.379 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -101.81 -37.64 8.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 75.219999999999999 110.923 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.592 HD11 HG21 ' A' ' 23' ' ' ILE . 1.0 OUTLIER -75.34 -29.84 21.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.147 -0.479 . . . . 75.230000000000004 111.173 179.936 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -76.24 -18.18 59.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 63.439999999999998 110.932 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 41.6 mmtt -74.62 -24.74 58.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 72.0 110.896 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.449 ' C ' HD12 ' A' ' 23' ' ' ILE . 50.1 m-85 -140.11 30.99 1.98 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 71.310000000000002 110.864 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -60.19 -38.94 84.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 75.219999999999999 110.95 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 47.7 mmtm -55.14 -36.15 65.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.057 -0.52 . . . . 63.009999999999998 110.886 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -87.61 -41.44 13.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 60.43 110.887 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.592 HG21 HD11 ' A' ' 16' ' ' ILE . 12.5 mt -60.03 -61.07 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 71.219999999999999 111.136 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 8.2 ptm -55.36 -26.88 43.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 72.5 110.872 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.1 mm100 -68.11 -30.61 69.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 75.439999999999998 110.912 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -71.34 -39.49 71.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 73.109999999999999 110.854 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.638 HD12 ' HB3' ' A' ' 3' ' ' ALA . 47.2 mm -57.41 -53.15 47.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 74.140000000000001 111.129 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.33 -19.43 46.81 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.759 -0.734 . . . . 52.25 112.509 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 25.4 tp60 -85.27 -28.6 25.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.903 0.382 . . . . 41.420000000000002 110.96 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 104.97 28.41 5.6 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.753 -0.737 . . . . 61.020000000000003 112.5 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 7.5 m0 -79.84 137.32 36.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.819 0.342 . . . . 72.140000000000001 110.903 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.462 ' O ' HD12 ' A' ' 36' ' ' ILE . 22.5 p -64.53 168.48 5.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 73.549999999999997 111.116 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.48 HD12 ' H ' ' A' ' 33' ' ' ILE . 4.1 mp -67.13 -26.67 37.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 75.239999999999995 111.116 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 62.5 m-20 -82.05 -25.98 34.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 73.319999999999993 110.905 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -58.4 -47.54 83.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 61.439999999999998 110.95 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.502 ' H ' HD12 ' A' ' 36' ' ' ILE . 5.3 mp -72.54 -51.81 26.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 72.319999999999993 111.115 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -51.98 -30.84 26.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 73.329999999999998 110.901 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 27.2 tptp -93.14 -25.67 17.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 63.25 110.921 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 57.9 t90 -68.46 -37.71 80.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 75.019999999999996 110.924 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.56 -51.0 71.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 74.420000000000002 110.91 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.2 mmmp? -87.87 51.13 2.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 74.209999999999994 110.907 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -132.47 -43.2 0.93 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.247 -0.433 . . . . 73.310000000000002 110.895 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 27.8 t60 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 54.240000000000002 110.883 179.959 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -171.39 36.8 0.17 Allowed Glycine 0 N--CA 1.452 -0.256 0 CA-C-N 115.139 -0.937 . . . . 63.409999999999997 112.469 178.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.417 ' HB3' HD12 ' A' ' 27' ' ' ILE . . . 51.92 32.45 9.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.748 0.309 . . . . 33.140000000000001 111.091 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.579 HG22 HG23 ' A' ' 8' ' ' VAL . 34.2 mm -94.05 -25.15 4.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 74.209999999999994 111.107 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.459 ' O ' ' HB2' ' A' ' 9' ' ' ALA . . . -64.1 -31.4 72.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 32.240000000000002 111.091 179.834 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -69.6 -36.81 76.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 75.329999999999998 110.894 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.549 HD13 HG21 ' A' ' 36' ' ' ILE . 8.0 mt -81.02 -47.59 13.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 65.239999999999995 110.942 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.695 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 90.9 t -63.6 -26.72 41.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 73.219999999999999 111.149 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.459 ' HB2' ' O ' ' A' ' 5' ' ' ALA . . . -56.92 -23.82 47.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 52.520000000000003 111.089 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.3 mtmm -113.82 -30.93 6.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 63.109999999999999 110.853 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.539 ' CE1' HD23 ' A' ' 40' ' ' LEU . 25.3 m-85 -83.61 -63.49 1.34 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 72.230000000000004 110.845 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 113.71 173.7 18.54 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.715 -0.755 . . . . 72.109999999999999 112.465 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.695 ' CZ3' HG11 ' A' ' 8' ' ' VAL . 5.8 m95 -67.93 -52.47 24.19 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.559 0.695 . . . . 62.0 110.952 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.635 ' HD2' ' N ' ' A' ' 13' ' ' TRP . 54.3 Cg_endo -69.68 -8.71 24.29 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.707 2.271 . . . . 62.119999999999997 112.339 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.494 ' HE1' HD21 ' A' ' 40' ' ' LEU . 4.2 t80 -102.52 -38.3 7.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.436 . . . . 73.040000000000006 110.851 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.553 HD11 HG21 ' A' ' 23' ' ' ILE . 1.0 OUTLIER -75.67 -30.02 21.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.461 . . . . 60.229999999999997 111.144 179.931 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -72.76 -19.57 61.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 71.049999999999997 110.903 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.36 -32.09 73.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 75.409999999999997 110.899 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -144.26 39.98 1.33 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 74.420000000000002 110.858 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -61.46 -41.45 97.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 75.109999999999999 110.903 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 20.5 ttpp -57.22 -25.66 59.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.115 -0.493 . . . . 73.439999999999998 110.916 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -93.67 -36.57 12.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.451 . . . . 63.420000000000002 110.933 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.553 HG21 HD11 ' A' ' 16' ' ' ILE . 7.5 mt -70.15 -59.84 3.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 61.350000000000001 111.138 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -55.57 -26.06 41.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 63.520000000000003 110.896 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -69.62 -26.18 64.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.431 . . . . 63.020000000000003 110.865 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -73.94 -41.39 62.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 74.200000000000003 110.885 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.417 HD12 ' HB3' ' A' ' 3' ' ' ALA . 51.6 mm -57.1 -50.24 77.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 74.230000000000004 111.126 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.32 -19.55 59.87 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.748 -0.739 . . . . 73.129999999999995 112.493 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -82.96 -27.54 30.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.824 0.345 . . . . 72.510000000000005 110.928 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 109.85 19.84 7.96 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.74 -0.743 . . . . 71.230000000000004 112.517 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 6.9 m0 -76.6 138.45 40.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.886 0.374 . . . . 64.310000000000002 110.906 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 23.1 p -65.98 -179.79 0.79 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.244 -0.435 . . . . 73.430000000000007 111.155 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.457 ' H ' HD12 ' A' ' 33' ' ' ILE . 5.1 mp -73.81 -42.96 53.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 64.430000000000007 111.149 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -67.19 -26.24 66.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 73.319999999999993 110.844 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -54.72 -51.77 64.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 74.409999999999997 110.914 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.549 HG21 HD13 ' A' ' 7' ' ' LEU . 5.3 mp -73.42 -49.76 34.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 70.530000000000001 111.11 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -52.11 -30.05 24.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 71.019999999999996 110.887 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.3 tppt? -95.18 -27.87 15.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 74.239999999999995 110.885 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 64.7 t90 -69.62 -34.75 74.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.248 -0.433 . . . . 74.519999999999996 110.921 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.539 HD23 ' CE1' ' A' ' 11' ' ' PHE . 19.2 tp -94.95 -37.97 10.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.267 -0.424 . . . . 71.219999999999999 110.899 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 51.69 30.48 6.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 70.239999999999995 110.893 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 53.8 mtm180 57.14 46.55 18.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 71.239999999999995 110.852 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 86.8 t60 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 71.109999999999999 110.842 179.965 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 144.66 -24.1 1.98 Allowed Glycine 0 N--CA 1.451 -0.338 0 CA-C-N 115.188 -0.914 . . . . 72.010000000000005 112.472 178.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -107.46 41.1 1.56 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.756 0.312 . . . . 64.329999999999998 111.076 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.577 ' O ' HG23 ' A' ' 8' ' ' VAL . 25.0 mm -105.04 -48.83 9.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 74.329999999999998 111.138 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.37 -25.24 64.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 53.520000000000003 111.106 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.726 ' HD3' HD11 ' A' ' 33' ' ' ILE . 25.1 mttt -60.31 -46.67 89.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 70.299999999999997 110.937 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.86 HD13 HG21 ' A' ' 36' ' ' ILE . 9.1 mt -87.17 -35.11 18.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 73.109999999999999 110.941 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.66 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 86.5 t -67.07 -26.01 35.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 74.420000000000002 111.103 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.36 -21.66 50.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 73.409999999999997 111.07 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 33.6 mttm -116.06 -28.15 6.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 63.25 110.892 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.732 ' CZ ' HD23 ' A' ' 40' ' ' LEU . 22.1 m-85 -87.01 -61.81 1.64 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 74.099999999999994 110.887 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 114.08 172.97 18.09 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.762 -0.732 . . . . 72.340000000000003 112.52 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.66 ' CZ3' HG11 ' A' ' 8' ' ' VAL . 5.5 m95 -68.1 -52.61 22.39 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.51 0.672 . . . . 55.020000000000003 110.899 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.634 ' HD2' ' N ' ' A' ' 13' ' ' TRP . 54.0 Cg_endo -69.75 -10.12 27.79 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.687 2.258 . . . . 62.130000000000003 112.356 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -99.7 -45.39 5.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.432 . . . . 74.420000000000002 110.841 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.604 HD11 HG21 ' A' ' 23' ' ' ILE . 1.0 OUTLIER -65.28 -29.66 47.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 64.340000000000003 111.136 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.1 ptmm? -75.25 -18.23 60.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 71.310000000000002 110.892 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.8 ttmm -71.8 -25.8 62.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 73.329999999999998 110.896 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -144.03 35.11 1.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.434 . . . . 52.210000000000001 110.868 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -65.34 -30.88 71.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 73.299999999999997 110.914 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 34.4 tttp -54.88 -41.96 71.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 71.439999999999998 110.933 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 21.7 mm100 -84.11 -46.05 12.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 72.349999999999994 110.878 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.604 HG21 HD11 ' A' ' 16' ' ' ILE . 21.7 mt -51.97 -63.57 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 65.230000000000004 111.122 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.68 ' HA ' HD12 ' A' ' 27' ' ' ILE . 3.8 ptm -54.43 -28.02 41.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 61.520000000000003 110.867 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -76.08 -29.72 58.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.28 -0.418 . . . . 74.530000000000001 110.925 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -74.67 -31.48 61.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 71.109999999999999 110.899 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.68 HD12 ' HA ' ' A' ' 24' ' ' MET . 57.1 mt -60.79 -51.72 69.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 62.32 111.137 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -61.49 -19.56 57.96 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.747 -0.739 . . . . 52.439999999999998 112.51 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 45.6 tp60 -80.46 -26.59 38.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.838 0.351 . . . . 53.340000000000003 110.916 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 106.56 26.77 5.76 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.776 -0.726 . . . . 75.109999999999999 112.522 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 16.3 m0 -81.64 133.97 35.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.778 0.323 . . . . 74.140000000000001 110.971 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.475 ' O ' HD12 ' A' ' 36' ' ' ILE . 43.6 p -75.51 174.19 9.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.289 -0.414 . . . . 63.009999999999998 111.152 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.726 HD11 ' HD3' ' A' ' 6' ' ' LYS . 58.1 mt -59.61 -34.65 55.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 62.310000000000002 111.093 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -71.28 -38.16 71.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 74.319999999999993 110.882 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.18 -54.28 32.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.436 . . . . 65.219999999999999 110.913 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.86 HG21 HD13 ' A' ' 7' ' ' LEU . 5.3 mp -73.06 -47.64 47.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 73.230000000000004 111.14 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -52.98 -28.81 25.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.475 . . . . 72.010000000000005 110.906 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.6 mmmm -98.01 -25.27 15.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 63.399999999999999 110.902 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 47.0 t90 -74.15 -34.33 63.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 72.129999999999995 110.897 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.732 HD23 ' CZ ' ' A' ' 11' ' ' PHE . 21.9 tp -86.95 -44.17 11.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 71.129999999999995 110.95 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.38 -30.22 27.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 61.100000000000001 110.894 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 26.9 ttt180 -95.7 -26.57 15.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.43 . . . . 73.239999999999995 110.825 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 75.439999999999998 110.865 179.984 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -173.17 -48.54 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 CA-C-N 115.193 -0.912 . . . . 62.219999999999999 112.486 178.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.636 ' HB3' HD12 ' A' ' 27' ' ' ILE . . . -123.85 33.21 5.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.736 0.303 . . . . 73.439999999999998 111.09 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.669 ' O ' HG23 ' A' ' 8' ' ' VAL . 33.0 mm -73.64 -42.23 55.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.244 -0.435 . . . . 71.329999999999998 111.131 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.4 -33.83 73.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 74.049999999999997 111.142 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -57.91 -27.32 63.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 71.310000000000002 110.906 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.654 HD13 HG21 ' A' ' 36' ' ' ILE . 9.1 mt -103.01 -34.05 9.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 72.010000000000005 110.947 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.762 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 89.5 t -68.71 -28.78 41.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 73.200000000000003 111.14 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.92 -25.7 31.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 71.329999999999998 111.092 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.9 mptt -110.17 -37.37 5.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 74.409999999999997 110.891 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.759 ' CE1' HD23 ' A' ' 40' ' ' LEU . 23.6 m-85 -78.77 -69.04 0.59 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 72.319999999999993 110.901 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.437 ' O ' HG22 ' A' ' 16' ' ' ILE . . . 114.03 175.3 18.91 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.752 -0.737 . . . . 75.120000000000005 112.49 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.762 ' CZ3' HG11 ' A' ' 8' ' ' VAL . 5.8 m95 -68.15 -52.41 22.81 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.616 0.722 . . . . 74.299999999999997 110.937 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.619 ' HD2' ' N ' ' A' ' 13' ' ' TRP . 53.4 Cg_endo -69.76 -8.55 23.89 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.709 2.272 . . . . 61.329999999999998 112.328 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.466 ' HE1' HD21 ' A' ' 40' ' ' LEU . 2.3 t80 -103.01 -36.9 8.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 75.140000000000001 110.9 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.788 HG13 HD13 ' A' ' 23' ' ' ILE . 17.7 tt -78.04 -29.79 15.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 75.040000000000006 111.107 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 13.1 pttp -69.28 -20.6 63.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 74.129999999999995 110.891 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 50.2 mmtt -64.64 -34.06 77.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 71.140000000000001 110.858 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.483 ' C ' HD12 ' A' ' 23' ' ' ILE . 83.3 m-85 -143.08 41.53 1.52 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 75.310000000000002 110.877 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 29.9 t80 -61.66 -31.87 72.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 74.040000000000006 110.931 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 67.5 mmtt -63.05 -25.75 68.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.487 . . . . 61.229999999999997 110.935 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.5 tp-100 -101.04 -33.82 10.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 62.43 110.912 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.788 HD13 HG13 ' A' ' 16' ' ' ILE . 11.9 mt -66.9 -59.32 3.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.436 . . . . 61.020000000000003 111.1 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 11.3 ptm -52.45 -29.73 26.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 74.430000000000007 110.831 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 20.0 mm-40 -63.13 -46.18 88.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 73.109999999999999 110.948 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -52.15 -50.59 61.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 75.109999999999999 110.885 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.636 HD12 ' HB3' ' A' ' 3' ' ' ALA . 50.8 mm -51.72 -50.64 30.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 73.209999999999994 111.141 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -69.45 -19.2 74.27 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.74 -0.743 . . . . 74.420000000000002 112.493 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -78.91 -34.64 44.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.829 0.347 . . . . 74.200000000000003 110.941 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 113.25 22.16 5.64 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.711 -0.757 . . . . 41.229999999999997 112.438 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 13.6 m0 -81.44 135.66 35.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.833 0.349 . . . . 72.450000000000003 110.946 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.478 ' O ' HD12 ' A' ' 36' ' ' ILE . 60.4 p -63.01 171.24 2.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 75.129999999999995 111.134 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.472 ' H ' HD12 ' A' ' 33' ' ' ILE . 4.4 mp -66.62 -28.57 43.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 52.109999999999999 111.147 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -81.94 -24.36 35.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 73.150000000000006 110.86 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.4 mm100 -61.44 -50.25 73.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 63.020000000000003 110.9 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.654 HG21 HD13 ' A' ' 7' ' ' LEU . 5.3 mp -74.18 -49.67 31.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 72.430000000000007 111.161 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -53.92 -27.67 32.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 72.329999999999998 110.905 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -96.94 -26.72 14.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 71.430000000000007 110.925 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 44.8 t90 -68.62 -32.36 72.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.448 . . . . 71.340000000000003 110.949 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.759 HD23 ' CE1' ' A' ' 11' ' ' PHE . 19.0 tp -90.76 -38.44 13.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 72.219999999999999 110.969 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 29.6 mtmt -64.96 -36.39 84.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 75.400000000000006 110.921 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.0 tmm_? -83.23 -52.87 6.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 65.209999999999994 110.844 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 61.6 t-80 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 72.140000000000001 110.843 -179.988 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 155.56 -54.21 0.42 Allowed Glycine 0 N--CA 1.451 -0.327 0 CA-C-N 115.178 -0.919 . . . . 63.020000000000003 112.534 178.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -113.97 28.8 8.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.715 0.293 . . . . 61.030000000000001 111.072 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 1.005 HD11 HD11 ' A' ' 27' ' ' ILE . 42.6 mm -109.7 -28.4 2.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 70.129999999999995 111.106 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.75 -24.75 67.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 71.310000000000002 111.103 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.41 -29.87 25.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 72.420000000000002 110.897 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.491 HD22 ' HB ' ' A' ' 36' ' ' ILE . 8.3 mt -80.75 -45.8 16.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 62.450000000000003 110.936 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.712 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 90.4 t -64.62 -24.11 34.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 63.439999999999998 111.128 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.51 -23.82 42.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 72.329999999999998 111.121 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 56.4 mmtt -115.36 -37.5 4.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 74.209999999999994 110.888 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.62 ' CE1' HD23 ' A' ' 40' ' ' LEU . 23.8 m-85 -75.21 -67.99 0.6 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.277 -0.42 . . . . 74.209999999999994 110.879 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 113.15 175.47 19.32 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.77 -0.729 . . . . 72.510000000000005 112.46 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.712 ' CZ3' HG11 ' A' ' 8' ' ' VAL . 5.6 m95 -68.2 -52.56 21.88 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.553 0.692 . . . . 73.340000000000003 110.95 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.632 ' HD2' ' N ' ' A' ' 13' ' ' TRP . 53.5 Cg_endo -69.82 -8.62 24.07 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.657 2.238 . . . . 64.519999999999996 112.299 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.604 ' HE1' HD21 ' A' ' 40' ' ' LEU . 2.2 t80 -102.51 -38.31 7.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.435 . . . . 75.540000000000006 110.861 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.7 HD13 HG22 ' A' ' 8' ' ' VAL . 1.3 tt -75.7 -29.87 20.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 74.209999999999994 111.173 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.8 pttp -69.85 -20.32 63.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.144 -0.48 . . . . 62.200000000000003 110.911 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.5 tmtm? -72.24 -23.82 61.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 73.109999999999999 110.924 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.463 ' O ' HD12 ' A' ' 23' ' ' ILE . 62.7 m-85 -145.18 39.82 1.21 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 73.439999999999998 110.905 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -67.51 -25.82 66.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.081 -0.509 . . . . 75.25 110.878 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.5 tptm -72.94 -25.26 60.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 65.109999999999999 110.908 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 17.8 tp60 -94.67 -48.92 5.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 73.219999999999999 110.911 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.49 HD13 HG13 ' A' ' 16' ' ' ILE . 10.0 mt -57.13 -60.16 2.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 61.32 111.124 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.8 tpt -55.47 -25.74 38.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 75.200000000000003 110.873 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -72.08 -37.69 69.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 74.209999999999994 110.949 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -59.08 -32.65 69.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 44.509999999999998 110.913 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 1.005 HD11 HD11 ' A' ' 4' ' ' ILE . 58.0 mt -51.59 -69.61 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 74.319999999999993 111.078 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -53.48 -37.9 56.85 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.686 -0.768 . . . . 62.43 112.517 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -53.91 -28.51 37.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.846 0.355 . . . . 62.039999999999999 110.927 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 103.63 22.14 9.23 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.683 -0.77 . . . . 30.43 112.487 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 9.2 m0 -82.46 136.64 34.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.824 0.345 . . . . 73.0 110.933 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.455 ' O ' HD12 ' A' ' 36' ' ' ILE . 32.1 p -67.7 174.72 3.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 70.439999999999998 111.166 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.5 HD12 ' H ' ' A' ' 33' ' ' ILE . 4.5 mp -69.13 -29.36 42.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 75.430000000000007 111.117 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -80.03 -25.9 40.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 75.409999999999997 110.835 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 32.7 mm-40 -56.82 -46.11 81.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 73.219999999999999 110.936 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.491 ' HB ' HD22 ' A' ' 7' ' ' LEU . 5.3 mp -73.67 -53.76 17.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 72.340000000000003 111.162 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -52.0 -30.06 23.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 75.329999999999998 110.945 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 69.0 mttt -91.34 -31.97 15.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.494 . . . . 73.120000000000005 110.867 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 73.7 t90 -64.8 -38.22 90.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.226 -0.443 . . . . 64.129999999999995 110.937 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.62 HD23 ' CE1' ' A' ' 11' ' ' PHE . 19.6 tp -95.03 -39.58 10.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 75.230000000000004 110.92 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 22.3 mtpt 51.81 29.96 6.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 72.140000000000001 110.9 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.4 ttm180 54.32 47.35 23.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 73.430000000000007 110.89 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 63.399999999999999 110.893 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -129.39 19.38 5.38 Favored Glycine 0 N--CA 1.452 -0.286 0 CA-C-N 115.174 -0.921 . . . . 73.25 112.499 178.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -132.24 44.71 2.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.802 0.334 . . . . 70.150000000000006 111.113 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.687 ' O ' HG23 ' A' ' 8' ' ' VAL . 25.4 mm -110.9 -39.38 3.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 71.140000000000001 111.161 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -54.86 -33.88 62.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.478 . . . . 43.25 111.092 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.0 mtmt -55.23 -47.4 75.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 70.109999999999999 110.882 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.693 HD11 HD11 ' A' ' 27' ' ' ILE . 9.5 mt -79.53 -30.58 41.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 65.319999999999993 110.898 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.756 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 61.7 t -68.81 -26.67 33.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 62.0 111.152 179.808 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.42 -24.11 42.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 74.349999999999994 111.059 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 32.6 mttt -112.31 -39.23 4.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.275 -0.42 . . . . 64.209999999999994 110.867 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -76.96 -71.81 0.38 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 63.32 110.927 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.415 ' O ' HG22 ' A' ' 16' ' ' ILE . . . 116.85 176.82 17.84 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.738 -0.744 . . . . 64.450000000000003 112.461 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.756 ' CZ3' HG11 ' A' ' 8' ' ' VAL . 5.7 m95 -68.64 -52.55 18.67 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.545 0.688 . . . . 71.129999999999995 110.9 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.622 ' HD2' ' N ' ' A' ' 13' ' ' TRP . 54.1 Cg_endo -69.84 -8.61 24.03 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.664 2.243 . . . . 43.43 112.334 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -102.57 -40.54 6.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 74.5 110.885 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.518 HD13 HG22 ' A' ' 8' ' ' VAL . 3.5 tt -72.56 -22.05 20.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.151 -0.477 . . . . 61.43 111.131 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.411 ' HG2' ' HA ' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -77.82 -9.17 58.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 70.409999999999997 110.843 179.904 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 22.0 mtpp -90.93 -25.72 19.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 75.140000000000001 110.906 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -133.09 27.08 4.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 75.239999999999995 110.862 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.463 ' OH ' HG21 ' A' ' 4' ' ' ILE . 0.1 OUTLIER -65.78 -25.46 67.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.129 -0.487 . . . . 74.439999999999998 110.925 -179.865 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 33.4 ttmt -65.11 -32.83 74.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.079 -0.51 . . . . 74.340000000000003 110.921 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -95.78 -47.74 6.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 73.129999999999995 110.886 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.44 HD13 HG13 ' A' ' 16' ' ' ILE . 25.1 mt -51.63 -57.15 3.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.447 . . . . 64.030000000000001 111.182 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 34.4 ttp -56.5 -25.18 50.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 75.439999999999998 110.814 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -82.4 -28.11 31.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 63.119999999999997 110.942 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -73.93 -40.88 62.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 75.5 110.877 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.693 HD11 HD11 ' A' ' 7' ' ' LEU . 50.3 mm -59.16 -57.54 10.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 70.329999999999998 111.132 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -64.21 -19.22 63.75 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.741 -0.742 . . . . 41.420000000000002 112.472 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -74.45 -25.81 59.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.824 0.345 . . . . 62.219999999999999 110.914 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 106.64 22.27 7.8 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.703 -0.76 . . . . 74.140000000000001 112.493 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 6.1 m0 -84.43 138.32 32.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.831 0.348 . . . . 73.219999999999999 110.952 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.44 ' O ' HD12 ' A' ' 36' ' ' ILE . 21.2 p -61.35 174.98 0.62 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 63.210000000000001 111.165 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.52 HD12 ' H ' ' A' ' 33' ' ' ILE . 4.8 mp -71.78 -37.14 61.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 63.409999999999997 111.133 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -73.24 -25.79 60.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.445 . . . . 64.310000000000002 110.843 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 12.2 mm-40 -56.0 -50.9 69.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.443 . . . . 73.099999999999994 110.945 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.642 HG21 HD13 ' A' ' 7' ' ' LEU . 5.2 mp -72.58 -50.02 37.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 71.030000000000001 111.135 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -52.05 -30.29 25.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 72.549999999999997 110.873 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -95.03 -25.96 16.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 61.229999999999997 110.903 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 69.0 t90 -72.45 -38.46 68.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 73.530000000000001 110.925 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.46 -50.36 71.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 74.409999999999997 110.901 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 41.4 mtmt -90.85 48.38 1.52 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 74.420000000000002 110.894 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.56 -41.14 1.21 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 71.319999999999993 110.903 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 64.040000000000006 110.86 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -112.54 42.52 1.94 Allowed Glycine 0 N--CA 1.451 -0.3 0 CA-C-N 115.138 -0.937 . . . . 34.100000000000001 112.481 178.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.655 ' HB3' HD12 ' A' ' 27' ' ' ILE . . . 52.75 34.52 16.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.78 0.324 . . . . 53.130000000000003 111.099 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.439 ' O ' HG23 ' A' ' 8' ' ' VAL . 46.2 mm -99.52 -35.2 4.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 75.510000000000005 111.077 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.93 -45.19 82.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 63.200000000000003 111.08 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 30.7 mmtt -58.95 -29.31 67.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 72.010000000000005 110.907 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.664 HD13 HG21 ' A' ' 36' ' ' ILE . 7.9 mt -84.58 -43.78 14.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 50.130000000000003 110.913 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.673 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 68.0 t -67.52 -25.0 32.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 62.539999999999999 111.119 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.82 -25.39 28.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 70.150000000000006 111.13 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 25.8 mmtm -113.37 -41.64 3.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 73.319999999999993 110.882 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -71.82 -72.93 0.2 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 61.140000000000001 110.87 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 125.49 174.65 13.98 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.741 -0.742 . . . . 64.120000000000005 112.478 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.673 ' CZ3' HG11 ' A' ' 8' ' ' VAL . 5.0 m95 -67.89 -52.72 23.42 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.531 0.682 . . . . 64.430000000000007 110.949 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.632 ' HD2' ' N ' ' A' ' 13' ' ' TRP . 53.8 Cg_endo -69.73 -8.58 23.98 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.661 2.24 . . . . 72.409999999999997 112.366 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -102.89 -35.57 8.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 73.340000000000003 110.874 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.481 ' CD1' HD13 ' A' ' 23' ' ' ILE . 1.2 tp -79.08 -29.6 13.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 72.230000000000004 111.108 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 13.2 ptmm? -72.94 -19.44 61.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 72.129999999999995 110.883 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 43.6 tttp -75.93 -25.82 56.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 74.230000000000004 110.913 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.426 ' O ' HD12 ' A' ' 23' ' ' ILE . 39.3 m-85 -132.34 27.58 4.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 64.209999999999994 110.886 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 54.6 t80 -62.73 -27.0 68.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 72.530000000000001 110.931 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.1 tptm -68.58 -32.67 72.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 71.230000000000004 110.927 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 -89.3 -49.14 6.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 73.239999999999995 110.876 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.481 HD13 ' CD1' ' A' ' 16' ' ' ILE . 8.9 mt -55.51 -59.41 2.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.445 . . . . 72.150000000000006 111.144 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 1.9 ttt -56.08 -25.56 45.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 65.450000000000003 110.852 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -76.24 -25.74 55.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 74.329999999999998 110.894 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -76.94 -35.45 57.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 63.439999999999998 110.922 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.655 HD12 ' HB3' ' A' ' 3' ' ' ALA . 44.4 mm -58.78 -45.27 91.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.493 . . . . 71.230000000000004 111.144 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -69.14 -19.44 73.97 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.733 -0.746 . . . . 12.35 112.493 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -81.15 -28.73 34.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.85 0.357 . . . . 54.32 110.915 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 110.93 22.16 6.39 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.72 -0.752 . . . . 63.530000000000001 112.436 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 12.5 m0 -76.88 135.08 38.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.844 0.354 . . . . 71.420000000000002 110.891 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.454 ' O ' HD12 ' A' ' 36' ' ' ILE . 15.5 p -68.79 171.89 7.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.269 -0.423 . . . . 74.109999999999999 111.097 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 55.8 mt -66.18 -25.29 35.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 73.25 111.061 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -83.36 -26.25 30.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 65.439999999999998 110.876 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 11.6 mm-40 -58.97 -47.34 85.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 74.400000000000006 110.91 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.664 HG21 HD13 ' A' ' 7' ' ' LEU . 5.3 mp -73.33 -53.72 17.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 73.349999999999994 111.187 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -51.96 -30.12 23.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 74.420000000000002 110.903 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.6 ttmm -92.59 -25.68 18.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.104 -0.498 . . . . 72.549999999999997 110.89 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 62.2 t90 -67.46 -39.56 85.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 73.120000000000005 110.895 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -52.64 -50.51 63.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.431 . . . . 72.299999999999997 110.915 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 23.8 mtpp -56.06 -26.84 50.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 73.510000000000005 110.882 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.42 -43.79 22.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 71.150000000000006 110.869 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 43.6 t-80 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 61.310000000000002 110.842 179.966 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 165.71 -39.91 0.27 Allowed Glycine 0 N--CA 1.451 -0.306 0 CA-C-N 115.151 -0.931 . . . . 73.519999999999996 112.469 178.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -83.06 -33.83 26.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.731 0.301 . . . . 71.430000000000007 111.105 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 48.3 mm -51.8 -43.08 33.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 75.299999999999997 111.115 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.4 -33.02 65.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 63.210000000000001 111.106 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.6 mmmm -71.37 -28.62 64.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.266 -0.425 . . . . 75.019999999999996 110.93 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.757 HD13 HG21 ' A' ' 36' ' ' ILE . 6.4 mt -84.08 -46.13 12.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 74.109999999999999 110.884 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.698 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 48.8 t -67.3 -18.77 24.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 72.340000000000003 111.101 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.75 -24.32 34.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 71.340000000000003 111.117 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.86 -45.71 2.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 63.210000000000001 110.899 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.618 ' CZ ' HD23 ' A' ' 40' ' ' LEU . 21.9 m-85 -63.07 -72.67 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.26 -0.427 . . . . 55.030000000000001 110.893 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.402 ' O ' HG22 ' A' ' 16' ' ' ILE . . . 122.92 175.6 14.63 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.762 -0.732 . . . . 53.109999999999999 112.518 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.698 ' CZ3' HG11 ' A' ' 8' ' ' VAL . 4.7 m95 -68.2 -52.9 20.61 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 121.555 0.693 . . . . 75.340000000000003 110.942 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.63 ' HD2' ' N ' ' A' ' 13' ' ' TRP . 53.9 Cg_endo -69.73 -8.63 24.1 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.695 2.263 . . . . 65.340000000000003 112.342 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.416 ' CE1' HD21 ' A' ' 40' ' ' LEU . 5.6 t80 -102.03 -40.91 6.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 72.519999999999996 110.869 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.48 ' CD1' HD13 ' A' ' 23' ' ' ILE . 1.0 OUTLIER -72.08 -29.83 34.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 74.409999999999997 111.141 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 37.0 pttt -72.4 -19.67 61.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 74.209999999999994 110.914 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 31.2 mttp -70.86 -32.21 69.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 63.119999999999997 110.93 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -130.94 29.28 4.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 72.540000000000006 110.878 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.404 ' HA ' HD12 ' A' ' 23' ' ' ILE . 74.5 t80 -64.35 -29.69 70.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.103 -0.498 . . . . 74.349999999999994 110.962 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.63 -35.98 73.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.101 -0.499 . . . . 75.420000000000002 110.897 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 57.6 mt-30 -89.85 -45.39 9.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 64.310000000000002 110.915 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.48 HD13 ' CD1' ' A' ' 16' ' ' ILE . 15.0 mt -51.57 -64.06 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 73.549999999999997 111.192 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -54.98 -27.1 41.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 62.0 110.91 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 25.1 mm-40 -76.63 -28.54 56.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 72.239999999999995 110.946 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -74.24 -38.61 63.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 75.209999999999994 110.875 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 50.1 mm -56.98 -50.87 74.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 51.030000000000001 111.145 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -67.62 -19.41 71.04 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.788 -0.72 . . . . 72.340000000000003 112.469 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 13.1 tp60 -78.25 -26.01 47.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.845 0.355 . . . . 70.120000000000005 110.917 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 110.73 19.47 7.78 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.748 -0.739 . . . . 50.140000000000001 112.45 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 11.1 m0 -78.49 135.64 37.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.85 0.357 . . . . 75.019999999999996 110.942 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 20.1 p -68.08 172.98 4.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 75.510000000000005 111.177 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.47 HD12 ' H ' ' A' ' 33' ' ' ILE . 4.5 mp -67.27 -27.03 37.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 64.239999999999995 111.116 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -82.11 -26.19 33.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.185 -0.461 . . . . 63.229999999999997 110.82 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -57.24 -44.38 83.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 71.239999999999995 110.901 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.757 HG21 HD13 ' A' ' 7' ' ' LEU . 5.4 mp -77.01 -54.02 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 73.439999999999998 111.168 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -51.83 -30.05 21.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.167 -0.47 . . . . 75.430000000000007 110.937 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 24.3 mtpp -91.41 -25.87 19.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 62.43 110.941 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 78.3 t90 -73.59 -47.18 42.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 61.329999999999998 110.925 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.618 HD23 ' CZ ' ' A' ' 11' ' ' PHE . 27.2 tp -73.42 -52.15 14.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 72.450000000000003 110.879 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 46.6 tttp -51.86 -31.51 28.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 73.420000000000002 110.896 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 26.9 mmm180 -96.21 41.97 1.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 72.409999999999997 110.845 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 21.6 t-80 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 73.25 110.897 179.952 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 106.29 -70.01 0.23 Allowed Glycine 0 N--CA 1.451 -0.314 0 CA-C-N 115.154 -0.93 . . . . 62.329999999999998 112.499 178.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.501 ' HB3' HD13 ' A' ' 27' ' ' ILE . . . -56.98 -23.98 49.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.752 0.31 . . . . 51.420000000000002 111.1 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.566 ' O ' HG23 ' A' ' 8' ' ' VAL . 40.2 mm -66.54 -55.26 19.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 71.340000000000003 111.151 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.406 ' O ' ' HB2' ' A' ' 9' ' ' ALA . . . -58.02 -27.22 63.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 35.310000000000002 111.141 179.792 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 29.8 mttp -61.9 -48.54 80.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 73.549999999999997 110.896 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 1.018 HD13 HG21 ' A' ' 36' ' ' ILE . 7.6 mt -82.4 -36.55 26.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.274 -0.421 . . . . 72.430000000000007 110.938 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.661 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 87.9 t -67.05 -26.6 37.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 61.210000000000001 111.107 179.805 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.406 ' HB2' ' O ' ' A' ' 5' ' ' ALA . . . -58.38 -21.63 50.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 54.420000000000002 111.097 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -116.08 -28.04 6.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 62.43 110.84 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -87.54 -62.13 1.57 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 75.519999999999996 110.861 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 114.35 173.37 18.1 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.698 -0.763 . . . . 73.450000000000003 112.506 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.661 ' CZ3' HG11 ' A' ' 8' ' ' VAL . 5.4 m95 -68.18 -52.64 21.73 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.603 0.716 . . . . 75.329999999999998 110.963 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.626 ' HD2' ' N ' ' A' ' 13' ' ' TRP . 53.6 Cg_endo -69.75 -8.59 23.99 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.661 2.241 . . . . 74.200000000000003 112.341 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -102.23 -39.8 7.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 75.140000000000001 110.871 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.57 HD11 HG21 ' A' ' 23' ' ' ILE . 0.9 OUTLIER -73.26 -30.33 30.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 75.519999999999996 111.159 179.93 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -72.04 -19.86 61.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.472 . . . . 70.299999999999997 110.881 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.92 -22.6 64.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 72.549999999999997 110.941 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -147.83 37.41 0.89 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 73.439999999999998 110.874 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 38.2 t80 -73.22 -8.47 55.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 73.310000000000002 110.903 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.3 tptm -77.21 -25.0 51.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 70.340000000000003 110.922 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -109.15 -36.58 6.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 73.040000000000006 110.934 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.57 HG21 HD11 ' A' ' 16' ' ' ILE . 39.1 mt -61.37 -57.31 12.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 62.399999999999999 111.122 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 3.3 ttp -58.46 -22.39 54.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 63.229999999999997 110.885 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 24.4 mm-40 -81.68 -44.55 16.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 71.010000000000005 110.874 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -51.92 -34.78 43.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 61.329999999999998 110.875 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.51 HD11 HD13 ' A' ' 4' ' ' ILE . 60.9 mt -55.75 -46.85 79.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.485 . . . . 74.219999999999999 111.105 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -74.88 -19.31 79.98 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.773 -0.727 . . . . 55.539999999999999 112.512 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -75.67 -25.99 57.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.865 0.364 . . . . 75.439999999999998 110.888 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 111.9 20.36 6.84 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.723 -0.751 . . . . 72.409999999999997 112.464 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 16.0 m0 -82.49 136.67 34.84 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.833 0.349 . . . . 72.349999999999994 110.899 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.478 ' O ' HD12 ' A' ' 36' ' ' ILE . 46.7 p -83.02 176.95 8.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.26 -0.427 . . . . 63.539999999999999 111.126 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.464 HG22 ' CD ' ' A' ' 37' ' ' GLU . 3.8 mp -61.18 -31.63 50.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 63.32 111.138 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -74.43 -34.28 63.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 55.520000000000003 110.867 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.08 -55.95 26.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 64.349999999999994 110.874 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 1.018 HG21 HD13 ' A' ' 7' ' ' LEU . 5.2 mp -69.96 -50.26 49.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 71.420000000000002 111.191 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.464 ' CD ' HG22 ' A' ' 33' ' ' ILE . 82.6 mt-10 -51.86 -36.91 50.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 72.120000000000005 110.899 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 39.5 tttp -86.64 -25.5 24.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 65.409999999999997 110.89 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 52.7 t90 -62.98 -36.51 83.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 52.299999999999997 110.935 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.34 -61.25 2.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 75.540000000000006 110.904 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -56.95 -26.17 59.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.256 -0.429 . . . . 71.450000000000003 110.903 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 38.3 mtp180 -77.92 -27.73 49.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 74.150000000000006 110.819 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 39.1 t60 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 72.349999999999994 110.91 -179.991 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 93.18 36.52 5.94 Favored Glycine 0 N--CA 1.451 -0.312 0 CA-C-N 115.135 -0.938 . . . . 71.409999999999997 112.486 178.824 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -121.18 -38.82 2.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.784 0.326 . . . . 55.240000000000002 111.083 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.527 HD11 HG13 ' A' ' 27' ' ' ILE . 50.2 mm -54.14 -27.24 16.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.431 . . . . 73.140000000000001 111.114 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.462 ' O ' ' HB2' ' A' ' 9' ' ' ALA . . . -65.87 -37.9 87.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 73.530000000000001 111.065 179.812 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 19.7 mmtp -70.52 -26.83 63.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 73.099999999999994 110.927 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.828 HD13 HG21 ' A' ' 36' ' ' ILE . 6.6 mt -84.86 -51.57 6.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 73.349999999999994 110.906 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.638 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 99.1 t -65.11 -23.77 33.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 61.409999999999997 111.117 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.462 ' HB2' ' O ' ' A' ' 5' ' ' ALA . . . -57.14 -23.46 47.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 71.409999999999997 111.099 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? -116.47 -33.02 5.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 71.310000000000002 110.92 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -78.83 -64.32 1.21 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 72.409999999999997 110.899 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 116.65 173.37 16.83 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.732 -0.747 . . . . 64.310000000000002 112.49 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.638 ' CZ3' HG11 ' A' ' 8' ' ' VAL . 5.9 m95 -67.99 -52.29 24.44 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.583 0.706 . . . . 75.299999999999997 110.904 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.633 ' HD2' ' N ' ' A' ' 13' ' ' TRP . 53.4 Cg_endo -69.82 -8.29 23.23 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.745 2.297 . . . . 71.329999999999998 112.314 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -103.3 -27.85 12.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 72.209999999999994 110.844 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.783 HD12 HD13 ' A' ' 23' ' ' ILE . 3.9 tp -88.01 -29.94 5.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 75.349999999999994 111.195 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 36.8 pttt -71.58 -20.12 62.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 64.25 110.904 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 28.0 mmtm -72.53 -25.99 61.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 75.200000000000003 110.902 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -140.38 36.7 1.87 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 64.230000000000004 110.889 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 64.7 t80 -69.23 -30.34 68.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 53.240000000000002 110.918 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.2 tppt? -69.95 -25.77 63.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 73.349999999999994 110.879 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 13.4 tp60 -94.47 -39.96 10.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 62.210000000000001 110.906 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.783 HD13 HD12 ' A' ' 16' ' ' ILE . 29.6 mt -69.49 -55.64 14.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 64.319999999999993 111.096 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -55.92 -25.31 42.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 73.430000000000007 110.898 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 22.2 mm-40 -71.16 -25.59 62.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 64.030000000000001 110.903 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -77.69 -40.43 41.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 55.219999999999999 110.915 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.527 HG13 HD11 ' A' ' 4' ' ' ILE . 50.5 mm -51.76 -46.68 39.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 71.439999999999998 111.112 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -75.13 -19.18 79.94 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.752 -0.737 . . . . 62.32 112.495 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -77.45 -30.13 53.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.843 0.354 . . . . 71.329999999999998 110.891 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 112.59 26.57 4.16 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.73 -0.748 . . . . 61.030000000000001 112.505 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 10.2 m0 -79.21 154.62 29.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.813 0.34 . . . . 73.340000000000003 110.907 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.458 ' O ' HD12 ' A' ' 36' ' ' ILE . 20.2 p -89.66 162.74 15.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.447 . . . . 65.450000000000003 111.146 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 65.4 mt -58.96 -25.04 28.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 73.019999999999996 111.138 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -82.91 -31.79 27.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 62.420000000000002 110.898 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -56.78 -46.87 81.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 73.530000000000001 110.888 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.828 HG21 HD13 ' A' ' 7' ' ' LEU . 5.3 mp -74.79 -52.44 19.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 63.020000000000003 111.158 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -51.79 -30.11 21.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 73.439999999999998 110.852 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.1 mmtt -90.47 -28.01 18.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 74.099999999999994 110.913 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 92.5 t90 -68.17 -45.41 73.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 74.129999999999995 110.915 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 15.8 tp -96.24 32.29 2.0 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 75.010000000000005 110.921 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.6 tppp? -95.45 -29.0 14.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 71.299999999999997 110.906 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 19.1 ttt-85 -141.6 63.18 1.44 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 72.140000000000001 110.852 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 49.7 p-80 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 74.329999999999998 110.831 179.999 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 153.84 -53.32 0.45 Allowed Glycine 0 N--CA 1.452 -0.296 0 CA-C-N 115.206 -0.907 . . . . 74.140000000000001 112.475 178.797 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -69.64 -32.14 70.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.787 0.327 . . . . 71.549999999999997 111.101 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.636 HG22 HG23 ' A' ' 8' ' ' VAL . 4.5 mp -65.1 -23.3 33.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 54.119999999999997 111.062 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.57 -44.4 62.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 70.209999999999994 111.102 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 19.0 mmtm -54.23 -32.75 56.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 52.210000000000001 110.919 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 1.034 HD13 HG21 ' A' ' 36' ' ' ILE . 6.3 mt -85.08 -37.67 20.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.451 . . . . 63.450000000000003 110.911 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.768 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 26.1 t -71.47 -14.71 17.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 35.32 111.163 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.7 -23.51 42.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 54.43 111.171 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -123.49 -48.26 1.95 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 73.109999999999999 110.89 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.724 ' CZ ' HD23 ' A' ' 40' ' ' LEU . 21.8 m-85 -58.67 -73.58 0.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 73.420000000000002 110.842 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.445 ' O ' HG22 ' A' ' 16' ' ' ILE . . . 121.29 174.97 14.98 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.743 -0.742 . . . . 65.109999999999999 112.44 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.768 ' CZ3' HG11 ' A' ' 8' ' ' VAL . 6.0 m95 -67.0 -52.4 31.56 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.615 0.722 . . . . 72.140000000000001 110.936 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.638 ' HD2' ' N ' ' A' ' 13' ' ' TRP . 54.3 Cg_endo -69.78 -8.51 23.79 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.655 2.237 . . . . 60.420000000000002 112.329 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -104.22 -28.81 11.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 61.329999999999998 110.855 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.566 HD11 HG21 ' A' ' 23' ' ' ILE . 1.0 OUTLIER -89.3 -29.62 5.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.152 -0.477 . . . . 53.43 111.181 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 42.5 pttt -67.23 -21.31 65.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 75.340000000000003 110.905 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 52.9 mttm -63.54 -28.52 70.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 65.549999999999997 110.861 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.437 ' C ' HD12 ' A' ' 23' ' ' ILE . 74.5 m-85 -142.63 32.47 1.45 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 73.310000000000002 110.882 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 76.3 t80 -63.66 -26.12 68.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.466 . . . . 64.430000000000007 110.974 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -66.11 -32.45 73.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.058 -0.519 . . . . 63.409999999999997 110.875 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -92.43 -44.44 8.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 70.25 110.873 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.566 HG21 HD11 ' A' ' 16' ' ' ILE . 11.8 mt -54.81 -62.13 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 73.129999999999995 111.18 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 4.8 tmm? -55.98 -25.25 43.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 73.150000000000006 110.889 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -74.14 -26.64 60.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 61.420000000000002 110.907 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -75.02 -35.71 61.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 62.409999999999997 110.863 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 44.5 mm -52.33 -43.57 40.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.478 . . . . 73.099999999999994 111.16 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -70.93 -19.44 77.0 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.71 -0.757 . . . . 72.120000000000005 112.484 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 58.6 tp60 -81.53 -28.33 34.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.822 0.344 . . . . 74.230000000000004 110.89 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 110.79 26.97 4.51 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.753 -0.737 . . . . 53.240000000000002 112.457 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 19.4 m0 -83.02 133.04 35.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.869 0.366 . . . . 71.530000000000001 110.895 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 19.2 p -78.14 177.21 8.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 70.430000000000007 111.147 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.52 ' H ' HD12 ' A' ' 33' ' ' ILE . 4.5 mp -60.85 -30.68 47.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 70.0 111.16 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -74.8 -35.68 62.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 61.149999999999999 110.873 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.529 HE21 ' HA ' ' A' ' 35' ' ' GLN . 0.0 OUTLIER -53.84 -48.15 70.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 73.129999999999995 110.884 -179.889 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 1.034 HG21 HD13 ' A' ' 7' ' ' LEU . 5.2 mp -79.01 -51.14 17.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 75.040000000000006 111.106 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -51.47 -30.65 20.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 75.439999999999998 110.866 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 55.9 mmtt -90.17 -42.07 11.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 64.510000000000005 110.882 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 64.3 t90 -59.72 -33.4 71.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.444 . . . . 70.099999999999994 110.923 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.724 HD23 ' CZ ' ' A' ' 11' ' ' PHE . 22.9 tp -82.39 -49.53 9.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 72.140000000000001 110.905 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 20.7 mtpt -53.35 -42.86 67.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 63.210000000000001 110.887 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 13.4 mmt180 -73.63 -28.8 61.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 63.030000000000001 110.884 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 26.8 t-80 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 75.030000000000001 110.835 179.973 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -149.75 -51.77 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 CA-C-N 115.188 -0.914 . . . . 61.140000000000001 112.49 178.807 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.562 ' HB3' HD12 ' A' ' 27' ' ' ILE . . . -132.31 42.69 3.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.753 0.311 . . . . 72.010000000000005 111.119 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.472 HG22 HG23 ' A' ' 8' ' ' VAL . 36.3 mm -114.86 -24.79 3.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 75.540000000000006 111.14 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.506 ' O ' ' HB2' ' A' ' 9' ' ' ALA . . . -66.71 -29.24 69.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 72.349999999999994 111.081 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 65.8 mmtt -77.68 -26.18 50.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 75.200000000000003 110.905 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.668 HD13 HG21 ' A' ' 36' ' ' ILE . 7.0 mt -88.02 -48.45 7.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.258 -0.428 . . . . 65.349999999999994 110.913 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.675 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 90.1 t -65.92 -27.96 42.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 75.430000000000007 111.148 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.506 ' HB2' ' O ' ' A' ' 5' ' ' ALA . . . -53.96 -26.95 28.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 74.140000000000001 111.074 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 55.0 mmtt -110.48 -36.65 5.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 72.430000000000007 110.937 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -77.21 -68.77 0.58 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 74.030000000000001 110.911 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 120.81 173.93 14.93 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.792 -0.718 . . . . 65.510000000000005 112.503 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.675 ' CZ3' HG11 ' A' ' 8' ' ' VAL . 5.9 m95 -67.74 -52.34 26.16 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-O 121.572 0.701 . . . . 70.129999999999995 110.932 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.634 ' HD2' ' N ' ' A' ' 13' ' ' TRP . 53.5 Cg_endo -69.78 -8.26 23.15 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.717 2.278 . . . . 65.519999999999996 112.342 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -105.12 -28.36 11.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 74.120000000000005 110.872 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.799 HD12 HD13 ' A' ' 23' ' ' ILE . 3.4 tp -86.45 -29.04 5.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 74.430000000000007 111.123 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 10.8 pttp -74.43 -19.13 60.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 73.319999999999993 110.878 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 36.3 tttm -76.81 -27.59 55.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.439 . . . . 61.5 110.902 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -132.13 29.94 4.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.261 -0.427 . . . . 74.299999999999997 110.88 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -66.03 -25.94 67.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.116 -0.493 . . . . 54.420000000000002 110.941 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.4 tttp -65.89 -32.17 73.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.494 . . . . 73.319999999999993 110.868 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 61.6 mt-30 -88.73 -54.7 4.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.436 . . . . 73.109999999999999 110.882 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.799 HD13 HD12 ' A' ' 16' ' ' ILE . 11.5 mt -51.63 -60.13 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 73.099999999999994 111.112 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 15.0 ttt -55.65 -25.67 40.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 61.520000000000003 110.862 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.6 mm100 -77.8 -33.89 52.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 74.040000000000006 110.905 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -71.5 -36.58 71.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 71.239999999999995 110.87 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.562 HD12 ' HB3' ' A' ' 3' ' ' ALA . 50.3 mm -56.19 -43.7 77.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 72.420000000000002 111.139 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -72.68 -19.71 79.31 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.783 -0.723 . . . . 73.120000000000005 112.486 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 34.0 tp60 -80.75 -26.37 37.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.874 0.369 . . . . 63.43 110.901 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 111.88 21.55 6.32 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.749 -0.739 . . . . 40.310000000000002 112.503 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 12.0 m0 -75.65 135.18 40.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.847 0.356 . . . . 73.510000000000005 110.94 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.404 ' O ' HD12 ' A' ' 36' ' ' ILE . 82.6 p -72.22 171.0 12.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 72.510000000000005 111.153 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.499 HD12 ' H ' ' A' ' 33' ' ' ILE . 4.2 mp -64.49 -25.65 38.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 74.430000000000007 111.141 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -80.11 -28.22 39.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 73.109999999999999 110.886 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 65.4 mm-40 -58.75 -50.73 72.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 55.25 110.923 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.668 HG21 HD13 ' A' ' 7' ' ' LEU . 5.3 mp -70.48 -51.82 34.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 53.009999999999998 111.098 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -51.78 -30.05 21.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.468 . . . . 75.340000000000003 110.899 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 18.5 tptp -91.59 -27.03 18.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 72.209999999999994 110.882 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 72.0 t90 -70.77 -45.36 64.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.218 -0.446 . . . . 73.109999999999999 110.895 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.0 tp -97.37 33.26 2.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 74.519999999999996 110.915 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 25.9 ttmt -92.65 -25.59 18.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 72.340000000000003 110.922 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 30.2 ttm180 -103.23 -58.92 1.79 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 75.420000000000002 110.886 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 3.7 t60 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 74.409999999999997 110.89 179.979 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 137.67 -35.08 2.09 Favored Glycine 0 N--CA 1.452 -0.295 0 CA-C-N 115.141 -0.936 . . . . 63.039999999999999 112.456 178.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -89.41 -26.38 21.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.798 0.332 . . . . 75.219999999999999 111.126 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.558 ' O ' HG23 ' A' ' 8' ' ' VAL . 43.1 mm -66.95 -26.33 36.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 64.340000000000003 111.151 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.6 -26.07 65.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 71.230000000000004 111.133 179.78 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 11.5 mmmt -79.79 -26.56 40.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 74.150000000000006 110.919 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.709 HD13 HG21 ' A' ' 36' ' ' ILE . 7.5 mt -90.53 -43.48 10.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.256 -0.429 . . . . 52.43 110.889 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.699 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 91.6 t -66.33 -30.29 49.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.201 -0.454 . . . . 75.420000000000002 111.138 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.99 -28.88 18.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 71.329999999999998 111.109 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -107.35 -39.7 5.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 73.230000000000004 110.884 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -75.81 -72.31 0.32 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 72.400000000000006 110.922 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 124.48 175.32 14.29 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.697 -0.763 . . . . 64.120000000000005 112.468 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.699 ' CZ3' HG11 ' A' ' 8' ' ' VAL . 5.4 m95 -68.38 -52.64 20.26 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.559 0.695 . . . . 62.020000000000003 110.918 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.624 ' HD2' ' N ' ' A' ' 13' ' ' TRP . 53.9 Cg_endo -69.72 -8.35 23.37 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.66 2.24 . . . . 74.25 112.395 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -105.4 -28.21 11.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 74.340000000000003 110.913 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.713 HG13 HD13 ' A' ' 23' ' ' ILE . 1.0 OUTLIER -87.79 -28.67 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 52.32 111.142 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.4 pttm -74.81 -18.68 60.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 72.049999999999997 110.862 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 32.2 mmtt -74.67 -26.93 60.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 74.439999999999998 110.93 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.591 ' C ' HD12 ' A' ' 23' ' ' ILE . 32.3 m-85 -130.02 25.5 5.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 74.200000000000003 110.866 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -58.22 -24.78 60.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.188 -0.46 . . . . 72.120000000000005 110.91 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -65.29 -40.6 94.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.087 -0.506 . . . . 74.129999999999995 110.876 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 38.2 mm-40 -85.84 -46.0 11.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 72.120000000000005 110.928 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.713 HD13 HG13 ' A' ' 16' ' ' ILE . 7.9 mt -51.79 -63.71 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 64.239999999999995 111.076 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 67.8 mmm -56.36 -24.88 47.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 62.240000000000002 110.904 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -79.77 -24.66 41.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 75.310000000000002 110.93 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -79.47 -35.91 39.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 75.510000000000005 110.868 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 51.0 mm -62.05 -49.94 82.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.134 -0.485 . . . . 64.219999999999999 111.14 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -67.61 -19.61 71.22 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.726 -0.749 . . . . 70.349999999999994 112.455 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 45.1 tp60 -78.82 -27.97 44.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.818 0.342 . . . . 55.229999999999997 110.853 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 112.5 20.15 6.7 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.7 -0.762 . . . . 33.399999999999999 112.477 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 14.8 m0 -77.6 134.34 38.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.835 0.35 . . . . 72.409999999999997 110.961 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.5 p -67.96 173.09 4.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 64.510000000000005 111.178 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.504 HD12 ' H ' ' A' ' 33' ' ' ILE . 4.3 mp -66.56 -25.21 34.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.289 -0.414 . . . . 70.340000000000003 111.134 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -82.97 -27.87 30.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.475 . . . . 62.149999999999999 110.89 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -56.01 -42.72 76.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 74.319999999999993 110.924 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.709 HG21 HD13 ' A' ' 7' ' ' LEU . 5.3 mp -80.3 -47.79 20.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 74.310000000000002 111.15 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -51.89 -29.99 22.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 73.510000000000005 110.822 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 25.6 tptp -91.79 -35.06 14.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 73.129999999999995 110.911 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 86.0 t90 -62.95 -36.71 84.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.2 -0.454 . . . . 61.119999999999997 110.915 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.1 tp -108.9 33.86 4.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.241 -0.436 . . . . 54.109999999999999 110.934 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 25.2 tttt -97.2 24.39 6.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 72.409999999999997 110.855 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.2 mpp_? 57.04 44.83 22.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 72.239999999999995 110.848 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 46.2 p-80 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 52.0 110.89 -179.982 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 132.4 -29.4 3.31 Favored Glycine 0 N--CA 1.45 -0.381 0 CA-C-N 115.182 -0.917 . . . . 61.329999999999998 112.519 178.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.402 ' HB1' ' CD1' ' A' ' 33' ' ' ILE . . . -104.11 37.75 2.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.74 0.305 . . . . 40.100000000000001 111.081 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.587 ' O ' HG23 ' A' ' 8' ' ' VAL . 46.4 mm -109.29 -34.0 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.434 . . . . 75.030000000000001 111.113 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.428 ' O ' ' HB2' ' A' ' 9' ' ' ALA . . . -68.51 -36.76 79.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 62.009999999999998 111.082 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 20.1 mmmt -63.25 -25.79 68.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.27 -0.423 . . . . 72.310000000000002 110.878 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.877 HD13 HG21 ' A' ' 36' ' ' ILE . 6.3 mt -94.41 -47.33 6.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 71.049999999999997 110.924 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.674 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 59.9 t -66.73 -20.23 26.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 64.349999999999994 111.104 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.428 ' HB2' ' O ' ' A' ' 5' ' ' ALA . . . -55.13 -25.35 31.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 73.129999999999995 111.131 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 25.0 mmmt -118.22 -41.71 2.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 72.430000000000007 110.908 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -66.37 -70.43 0.24 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.447 . . . . 53.439999999999998 110.867 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 121.39 174.18 14.77 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.772 -0.728 . . . . 54.039999999999999 112.51 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.674 ' CZ3' HG11 ' A' ' 8' ' ' VAL . 5.7 m95 -67.84 -52.43 25.06 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.572 0.701 . . . . 72.549999999999997 110.985 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.625 ' HD2' ' N ' ' A' ' 13' ' ' TRP . 53.9 Cg_endo -69.82 -8.29 23.24 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.682 2.254 . . . . 71.010000000000005 112.338 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -102.96 -32.71 9.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 71.200000000000003 110.852 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.444 HD11 HG21 ' A' ' 23' ' ' ILE . 1.1 tp -81.96 -29.67 9.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 55.43 111.119 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.93 -19.53 61.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 75.310000000000002 110.884 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.36 -32.62 64.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 74.120000000000005 110.873 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.457 ' C ' HD12 ' A' ' 23' ' ' ILE . 65.8 m-85 -128.54 29.43 5.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 71.420000000000002 110.875 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 69.4 t80 -62.19 -28.35 69.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 65.019999999999996 110.923 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.7 mtpt -66.49 -34.28 77.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.088 -0.505 . . . . 71.5 110.864 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -88.27 -47.3 8.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 73.540000000000006 110.902 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.457 HD12 ' C ' ' A' ' 19' ' ' PHE . 9.8 mt -54.17 -62.9 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 71.299999999999997 111.142 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.572 ' HA ' HD12 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -55.9 -25.35 42.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 73.230000000000004 110.882 179.865 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 -75.5 -27.81 58.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 73.430000000000007 110.913 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -73.13 -32.51 64.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 72.349999999999994 110.877 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.572 HD12 ' HA ' ' A' ' 24' ' ' MET . 53.3 mt -59.98 -50.23 80.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 75.049999999999997 111.117 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -66.64 -19.52 69.2 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.732 -0.747 . . . . 62.310000000000002 112.513 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 56.4 tp60 -79.88 -27.61 40.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.86 0.362 . . . . 70.549999999999997 110.949 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 107.96 22.86 7.03 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.756 -0.735 . . . . 31.550000000000001 112.478 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 7.5 m0 -76.3 137.13 39.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.864 0.364 . . . . 75.439999999999998 110.914 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.468 ' O ' HD12 ' A' ' 36' ' ' ILE . 28.9 p -71.59 164.13 26.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 73.340000000000003 111.112 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.402 ' CD1' ' HB1' ' A' ' 3' ' ' ALA . 51.5 mm -59.52 -25.22 30.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 45.210000000000001 111.162 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -82.11 -31.65 30.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.14 -0.482 . . . . 75.319999999999993 110.865 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 48.9 mm-40 -56.17 -48.88 75.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 73.0 110.903 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.877 HG21 HD13 ' A' ' 7' ' ' LEU . 5.3 mp -70.96 -54.31 18.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 64.200000000000003 111.115 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -51.93 -29.72 21.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 75.439999999999998 110.875 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 28.3 mmtp -91.57 -26.06 18.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 65.140000000000001 110.913 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 90.4 t90 -69.35 -44.64 71.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 75.540000000000006 110.955 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.1 tp -95.76 33.09 1.71 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 74.129999999999995 110.902 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -109.63 -40.73 4.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 63.140000000000001 110.919 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -98.62 36.42 1.65 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 64.310000000000002 110.881 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 32.6 p80 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 73.140000000000001 110.861 179.968 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' FME . . . . . 0.537 ' HCN' ' OH ' ' A' ' 20' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 162.73 -71.15 0.21 Allowed Glycine 0 N--CA 1.452 -0.294 0 CA-C-N 115.144 -0.934 . . . . 75.409999999999997 112.444 178.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -121.69 44.98 2.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.745 0.307 . . . . 61.219999999999999 111.109 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.41 HG22 ' O ' ' A' ' 4' ' ' ILE . 8.9 mm -96.65 29.43 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 73.239999999999995 111.166 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.425 ' O ' ' HB2' ' A' ' 9' ' ' ALA . . . -124.89 -36.81 2.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 71.019999999999996 111.097 179.835 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 30.4 mmtp -78.25 -33.99 49.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 75.129999999999995 110.893 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.45 HD13 HG21 ' A' ' 36' ' ' ILE . 8.8 mt -81.38 -44.8 17.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 75.439999999999998 110.889 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.652 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 83.9 t -67.63 -24.86 31.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 72.209999999999994 111.122 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.425 ' HB2' ' O ' ' A' ' 5' ' ' ALA . . . -56.57 -23.92 43.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 52.32 111.118 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 57.2 mmtt -113.69 -35.07 5.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 61.520000000000003 110.935 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.671 ' CZ ' HD23 ' A' ' 40' ' ' LEU . 24.4 m-85 -78.5 -66.7 0.82 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 64.329999999999998 110.913 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 119.27 173.78 15.59 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.72 -0.752 . . . . 53.109999999999999 112.499 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.652 ' CZ3' HG11 ' A' ' 8' ' ' VAL . 5.5 m95 -68.44 -52.63 19.89 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-O 121.57 0.7 . . . . 72.239999999999995 110.886 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.633 ' HD2' ' N ' ' A' ' 13' ' ' TRP . 53.4 Cg_endo -69.8 -8.98 24.97 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.633 2.222 . . . . 72.310000000000002 112.35 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.439 ' HE1' HD21 ' A' ' 40' ' ' LEU . 4.0 t80 -101.41 -43.98 5.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 72.319999999999993 110.888 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.689 HD12 HD13 ' A' ' 23' ' ' ILE . 3.5 tp -65.68 -30.03 48.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 63.25 111.085 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -73.92 -19.11 60.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 74.129999999999995 110.926 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 79.9 mttt -77.11 -26.36 53.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 72.409999999999997 110.921 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.537 ' O ' HD12 ' A' ' 23' ' ' ILE . 31.5 m-85 -131.37 27.55 4.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 65.109999999999999 110.892 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.537 ' OH ' ' HCN' ' A' ' 1' ' ' FME . 58.3 t80 -64.61 -24.85 67.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 73.0 110.942 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.8 ttpt -67.39 -33.42 75.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.095 -0.502 . . . . 72.540000000000006 110.898 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 79.7 mm-40 -89.82 -53.48 4.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 61.200000000000003 110.898 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.689 HD13 HD12 ' A' ' 16' ' ' ILE . 7.3 mt -51.74 -56.94 4.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 74.219999999999999 111.155 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.721 ' HA ' HD12 ' A' ' 27' ' ' ILE . 13.9 tpt -56.88 -24.54 52.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 63.439999999999998 110.888 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 11.8 mm-40 -81.94 -29.57 32.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 73.129999999999995 110.894 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -74.97 -32.82 61.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 73.409999999999997 110.88 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.721 HD12 ' HA ' ' A' ' 24' ' ' MET . 47.8 mt -58.41 -68.36 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 71.209999999999994 111.116 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -52.99 -28.47 32.66 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.722 -0.752 . . . . 71.219999999999999 112.499 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -64.75 -30.37 71.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.848 0.356 . . . . 75.329999999999998 110.887 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 106.42 32.15 3.78 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.713 -0.756 . . . . 64.340000000000003 112.497 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 6.8 m0 -85.94 156.37 20.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.83 0.348 . . . . 75.129999999999995 110.938 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.487 ' O ' HD12 ' A' ' 36' ' ' ILE . 70.3 p -83.72 156.03 22.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 74.540000000000006 111.107 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.413 ' H ' HD12 ' A' ' 33' ' ' ILE . 3.6 mp -57.86 -24.35 22.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 74.319999999999993 111.123 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 61.6 m-20 -85.69 -27.66 25.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.467 . . . . 43.25 110.918 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -60.3 -45.95 91.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 74.230000000000004 110.873 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.51 ' H ' HD12 ' A' ' 36' ' ' ILE . 5.3 mp -72.77 -53.8 17.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 60.32 111.117 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -51.61 -30.55 21.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 75.329999999999998 110.89 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 21.9 mmmt -92.36 -25.14 18.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.492 . . . . 71.340000000000003 110.914 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 72.7 t90 -72.29 -44.59 62.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 71.129999999999995 110.944 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.671 HD23 ' CZ ' ' A' ' 11' ' ' PHE . 22.0 tp -76.06 -44.88 36.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 70.439999999999998 110.903 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.1 mmmm -52.14 -36.47 51.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 65.140000000000001 110.904 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 62.3 ttp85 -80.77 -28.04 36.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 72.230000000000004 110.886 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 35.2 m-70 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 75.430000000000007 110.877 179.978 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -112.26 -61.31 0.45 Allowed Glycine 0 N--CA 1.451 -0.339 0 CA-C-N 115.186 -0.915 . . . . 73.010000000000005 112.517 178.833 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -73.69 -43.56 58.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.76 0.314 . . . . 65.530000000000001 111.11 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.605 HG22 HG23 ' A' ' 8' ' ' VAL . 24.2 mt -68.43 -28.66 41.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 72.109999999999999 111.142 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.69 -36.16 45.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 55.100000000000001 111.103 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.9 mmmt -62.78 -34.04 76.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 72.140000000000001 110.896 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.79 HD13 HG21 ' A' ' 36' ' ' ILE . 7.4 mt -82.01 -43.57 17.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 71.319999999999993 110.932 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.643 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 87.6 t -64.89 -25.03 36.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 64.129999999999995 111.132 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.44 -22.09 53.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 64.010000000000005 111.097 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 30.2 mmtp -116.82 -27.35 6.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 73.25 110.901 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.66 ' CZ ' HD23 ' A' ' 40' ' ' LEU . 23.5 m-85 -86.54 -60.27 2.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 75.319999999999993 110.874 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 112.46 173.02 18.98 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.741 -0.742 . . . . 64.540000000000006 112.457 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.643 ' CZ3' HG11 ' A' ' 8' ' ' VAL . 5.8 m95 -68.16 -52.45 22.6 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.571 0.701 . . . . 74.400000000000006 110.897 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.634 ' HD2' ' N ' ' A' ' 13' ' ' TRP . 54.3 Cg_endo -69.76 -8.89 24.75 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.672 2.248 . . . . 74.239999999999995 112.355 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -101.59 -41.9 6.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 72.120000000000005 110.847 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.585 HD11 HG21 ' A' ' 23' ' ' ILE . 2.9 tp -69.14 -30.44 46.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 73.209999999999994 111.139 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.5 -19.82 61.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 54.310000000000002 110.904 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.0 tptm -62.11 -42.11 98.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.455 . . . . 75.310000000000002 110.885 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.475 ' C ' HD12 ' A' ' 23' ' ' ILE . 86.2 m-85 -132.33 36.23 3.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 62.130000000000003 110.868 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 62.5 t80 -61.99 -26.2 68.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.172 -0.467 . . . . 54.299999999999997 110.926 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 33.1 tttm -62.01 -40.55 96.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 63.530000000000001 110.876 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 23.4 tp60 -85.45 -44.16 12.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 64.420000000000002 110.892 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.585 HG21 HD11 ' A' ' 16' ' ' ILE . 11.1 mt -56.56 -59.88 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 72.519999999999996 111.136 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 13.3 tpt -56.04 -25.42 44.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 74.420000000000002 110.879 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -74.55 -25.91 59.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 75.299999999999997 110.935 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -75.42 -43.03 51.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 73.409999999999997 110.909 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 50.0 mm -52.56 -40.24 32.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.11 -0.495 . . . . 74.239999999999995 111.148 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -74.37 -19.53 79.81 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.74 -0.743 . . . . 53.030000000000001 112.48 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 9.8 tp60 -82.98 -26.02 31.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.862 0.363 . . . . 74.129999999999995 110.909 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.15 20.27 9.9 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.743 -0.741 . . . . 63.450000000000003 112.501 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 6.2 m0 -71.46 138.74 49.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.854 0.359 . . . . 70.129999999999995 110.906 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.407 ' O ' HD12 ' A' ' 36' ' ' ILE . 21.1 p -65.4 166.39 10.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.242 -0.435 . . . . 62.020000000000003 111.169 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.518 HD12 ' H ' ' A' ' 33' ' ' ILE . 4.5 mp -66.7 -26.13 36.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 33.329999999999998 111.146 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 -82.43 -26.95 32.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 75.450000000000003 110.852 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 16.7 mm-40 -56.95 -44.98 83.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 74.099999999999994 110.929 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.79 HG21 HD13 ' A' ' 7' ' ' LEU . 5.4 mp -76.43 -47.92 28.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 74.129999999999995 111.118 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -52.38 -29.68 25.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 73.400000000000006 110.901 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -96.48 -25.27 15.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 72.329999999999998 110.93 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 46.9 t90 -73.33 -36.37 66.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.458 . . . . 73.519999999999996 110.916 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.66 HD23 ' CZ ' ' A' ' 11' ' ' PHE . 24.7 tp -86.6 -48.25 8.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 72.530000000000001 110.929 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 34.7 tptt -51.93 -39.41 59.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 74.219999999999999 110.915 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 50.4 ttp180 -63.52 -50.69 68.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 72.329999999999998 110.839 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 75.140000000000001 110.828 179.988 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 68.43 30.69 73.35 Favored Glycine 0 N--CA 1.451 -0.321 0 CA-C-N 115.168 -0.924 . . . . 55.340000000000003 112.521 178.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.425 ' HB1' HD11 ' A' ' 33' ' ' ILE . . . -115.99 -25.58 7.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.827 0.346 . . . . 62.409999999999997 111.138 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.635 HG12 HD11 ' A' ' 27' ' ' ILE . 17.2 mt -56.68 -37.03 50.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 71.409999999999997 111.104 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.6 -43.27 62.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 63.409999999999997 111.114 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 21.4 mmtp -55.84 -37.83 69.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 74.430000000000007 110.924 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.848 HD13 HG21 ' A' ' 36' ' ' ILE . 9.7 mt -81.15 -38.9 26.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 70.049999999999997 110.902 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.675 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 96.4 t -66.22 -26.04 37.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 74.409999999999997 111.151 179.803 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.65 -22.74 47.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 74.549999999999997 111.126 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 24.4 mmmt -114.46 -31.28 6.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 73.230000000000004 110.864 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -83.67 -64.05 1.24 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 72.450000000000003 110.91 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 115.33 173.63 17.69 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.768 -0.73 . . . . 62.450000000000003 112.544 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.675 ' CZ3' HG11 ' A' ' 8' ' ' VAL . 5.8 m95 -67.99 -52.47 23.74 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.576 0.703 . . . . 74.420000000000002 110.924 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.63 ' HD2' ' N ' ' A' ' 13' ' ' TRP . 54.1 Cg_endo -69.67 -10.65 29.17 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.725 2.283 . . . . 61.329999999999998 112.361 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -99.74 -41.87 7.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 74.129999999999995 110.859 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.625 HD11 HG21 ' A' ' 23' ' ' ILE . 1.2 tp -71.22 -30.01 38.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 73.25 111.13 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -73.84 -19.48 60.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 63.520000000000003 110.902 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.72 -26.35 65.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 74.140000000000001 110.901 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.408 ' C ' HD12 ' A' ' 23' ' ' ILE . 59.8 m-85 -146.41 37.43 1.01 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.44 . . . . 75.430000000000007 110.86 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 51.0 t80 -63.65 -25.92 68.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 73.239999999999995 110.895 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.3 mtmt -66.16 -36.0 81.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 74.420000000000002 110.911 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 12.3 tp60 -87.45 -45.59 10.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 73.129999999999995 110.917 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.625 HG21 HD11 ' A' ' 16' ' ' ILE . 11.9 mt -54.77 -63.04 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 61.310000000000002 111.134 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.599 ' SD ' HD12 ' A' ' 27' ' ' ILE . 11.7 tpt -56.43 -25.32 49.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 72.540000000000006 110.864 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.3 mm100 -70.54 -26.32 63.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 54.109999999999999 110.933 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -72.64 -36.56 68.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 74.430000000000007 110.877 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.635 HD11 HG12 ' A' ' 4' ' ' ILE . 68.2 mt -54.92 -57.78 5.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 74.420000000000002 111.11 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -55.64 -28.34 51.46 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.715 -0.755 . . . . 50.020000000000003 112.486 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -73.45 -25.8 60.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.882 0.372 . . . . 72.219999999999999 110.932 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 102.23 20.44 12.38 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.73 -0.748 . . . . 75.200000000000003 112.511 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 9.1 m0 -72.47 140.88 48.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.85 0.357 . . . . 75.239999999999995 110.884 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.539 ' O ' HD12 ' A' ' 36' ' ' ILE . 57.1 p -72.09 156.8 38.8 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.205 -0.452 . . . . 75.25 111.142 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.425 HD11 ' HB1' ' A' ' 3' ' ' ALA . 48.0 mm -56.4 -24.7 19.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 72.109999999999999 111.154 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -81.41 -36.09 29.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 73.5 110.858 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 -52.65 -47.29 67.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 61.240000000000002 110.928 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.848 HG21 HD13 ' A' ' 7' ' ' LEU . 5.1 mp -69.43 -54.56 19.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 74.310000000000002 111.128 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -52.34 -31.13 31.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 64.040000000000006 110.896 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.4 tppt? -88.67 -26.56 21.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 55.200000000000003 110.888 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.62 ' HE3' HD22 ' A' ' 40' ' ' LEU . 48.0 t90 -62.46 -40.66 97.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.237 -0.438 . . . . 64.420000000000002 110.971 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.62 HD22 ' HE3' ' A' ' 39' ' ' TRP . 3.2 mm? -63.9 -66.49 0.54 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 50.409999999999997 110.888 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 29.1 tttm -55.06 -30.96 60.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 72.420000000000002 110.905 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 44.4 mtp180 -115.83 54.87 0.8 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 74.310000000000002 110.832 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.7 t60 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 74.219999999999999 110.895 179.991 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -175.25 -39.91 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.374 0 CA-C-N 115.215 -0.902 . . . . 54.149999999999999 112.517 178.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -66.8 -25.72 66.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.774 0.321 . . . . 24.34 111.133 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.496 HG22 HG23 ' A' ' 8' ' ' VAL . 24.9 mt -55.5 -28.94 23.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 53.299999999999997 111.161 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.76 -48.3 63.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 55.240000000000002 111.105 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 54.2 mttp -56.05 -36.6 68.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 72.239999999999995 110.907 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.597 HD11 HD11 ' A' ' 27' ' ' ILE . 10.0 mt -75.4 -38.31 59.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.241 -0.436 . . . . 74.209999999999994 110.936 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.636 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 87.9 t -67.64 -24.13 30.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 71.439999999999998 111.121 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.23 -20.9 58.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 63.100000000000001 111.09 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -116.72 -27.31 6.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 71.430000000000007 110.876 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.628 ' CE1' HD23 ' A' ' 40' ' ' LEU . 22.5 m-85 -87.25 -60.65 1.92 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 62.109999999999999 110.834 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 113.15 172.1 18.26 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.787 -0.72 . . . . 73.209999999999994 112.484 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.636 ' CZ3' HG11 ' A' ' 8' ' ' VAL . 5.8 m95 -67.83 -52.49 24.83 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.598 0.713 . . . . 63.109999999999999 110.929 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.626 ' HD2' ' N ' ' A' ' 13' ' ' TRP . 53.8 Cg_endo -69.77 -8.67 24.19 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.647 2.231 . . . . 75.0 112.355 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.487 ' HE1' HD21 ' A' ' 40' ' ' LEU . 3.1 t80 -101.51 -44.49 5.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 53.030000000000001 110.877 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.521 HD12 HD13 ' A' ' 23' ' ' ILE . 6.7 tp -64.6 -29.54 47.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 72.219999999999999 111.152 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.86 -18.75 60.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 73.030000000000001 110.916 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.61 -23.71 42.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 74.530000000000001 110.899 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -130.98 25.2 4.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 63.229999999999997 110.9 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -67.26 -25.7 66.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 55.210000000000001 110.966 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.0 mtpp -68.44 -23.78 64.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.108 -0.496 . . . . 71.439999999999998 110.9 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.16 -55.22 2.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 74.129999999999995 110.947 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.521 HD13 HD12 ' A' ' 16' ' ' ILE . 78.7 mt -50.96 -57.5 2.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.466 . . . . 72.140000000000001 111.096 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 6.3 tmm? -56.22 -24.63 43.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 63.329999999999998 110.868 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -83.88 -27.96 28.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 62.539999999999999 110.929 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -74.74 -32.56 62.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 74.409999999999997 110.89 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.597 HD11 HD11 ' A' ' 7' ' ' LEU . 44.3 mm -61.19 -54.09 40.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 71.120000000000005 111.159 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -58.6 -20.44 46.3 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.74 -0.743 . . . . 72.299999999999997 112.493 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 35.7 tp60 -78.92 -25.98 43.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.855 0.359 . . . . 61.119999999999997 110.886 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 112.09 20.8 6.56 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.769 -0.729 . . . . 71.140000000000001 112.515 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 13.7 m0 -79.33 136.14 36.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.801 0.334 . . . . 63.399999999999999 110.926 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 33.0 p -76.81 -172.82 2.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 74.219999999999999 111.127 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.424 HD12 ' H ' ' A' ' 33' ' ' ILE . 4.4 mp -70.48 -44.47 77.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.448 . . . . 75.010000000000005 111.093 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -63.87 -29.42 70.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 71.099999999999994 110.863 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.2 mm100 -55.93 -55.5 31.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 60.310000000000002 110.891 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.532 ' HB ' HD22 ' A' ' 7' ' ' LEU . 5.4 mp -76.57 -47.21 29.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 62.409999999999997 111.136 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 35.0 mm-40 -51.82 -30.26 22.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 53.240000000000002 110.905 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 51.9 tttt -96.14 -28.67 14.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 73.099999999999994 110.913 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 45.0 t90 -70.54 -31.82 69.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.455 . . . . 70.439999999999998 110.903 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.628 HD23 ' CE1' ' A' ' 11' ' ' PHE . 25.6 tp -96.28 -49.72 5.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 70.030000000000001 110.928 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.1 ttpt 63.22 28.11 15.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 74.5 110.888 179.794 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 19.6 mtt180 56.83 42.14 26.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 74.519999999999996 110.884 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 64.310000000000002 110.847 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -112.88 -25.8 4.37 Favored Glycine 0 N--CA 1.452 -0.298 0 CA-C-N 115.155 -0.929 . . . . 31.329999999999998 112.51 178.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.987 ' HB3' HD12 ' A' ' 27' ' ' ILE . . . -95.53 24.83 4.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.772 0.32 . . . . 71.319999999999993 111.133 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.528 HG22 HG21 ' A' ' 8' ' ' VAL . 9.0 mm -95.78 29.45 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 62.340000000000003 111.127 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.419 ' O ' ' HB2' ' A' ' 9' ' ' ALA . . . -117.1 -40.33 3.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 54.140000000000001 111.097 179.819 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 29.5 mmtp -74.33 -30.43 62.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 74.239999999999995 110.89 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.552 HD11 HD11 ' A' ' 27' ' ' ILE . 7.8 mt -83.25 -46.81 12.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 74.319999999999993 110.869 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.759 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 94.5 t -66.2 -32.5 58.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 74.329999999999998 111.101 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.419 ' HB2' ' O ' ' A' ' 5' ' ' ALA . . . -51.39 -29.72 16.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.481 . . . . 71.209999999999994 111.087 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 21.7 mmmt -104.69 -39.96 6.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 73.439999999999998 110.891 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.764 ' CE1' HD23 ' A' ' 40' ' ' LEU . 24.6 m-85 -77.74 -73.25 0.32 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 73.430000000000007 110.926 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 120.22 176.09 15.71 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.703 -0.76 . . . . 75.329999999999998 112.482 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.759 ' CZ3' HG11 ' A' ' 8' ' ' VAL . 5.1 m95 -68.74 -52.79 17.28 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.604 0.716 . . . . 72.349999999999994 110.937 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.625 ' HD2' ' N ' ' A' ' 13' ' ' TRP . 53.6 Cg_endo -69.8 -8.83 24.61 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.682 2.255 . . . . 71.219999999999999 112.292 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.626 ' HE1' HD21 ' A' ' 40' ' ' LEU . 3.4 t80 -101.45 -48.19 4.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.299 -0.41 . . . . 72.439999999999998 110.859 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.591 HD12 HG22 ' A' ' 8' ' ' VAL . 17.7 tt -61.42 -30.08 47.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 70.209999999999994 111.14 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.32 -22.39 66.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.113 -0.494 . . . . 75.049999999999997 110.863 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.8 tmtm? -73.17 -25.94 60.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 72.420000000000002 110.836 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -138.65 41.21 2.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 74.349999999999994 110.916 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 33.5 t80 -76.4 -25.06 54.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 53.299999999999997 110.928 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.68 -29.67 68.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 74.540000000000006 110.896 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 41.7 mm-40 -93.27 -54.56 3.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 73.140000000000001 110.914 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.416 HD13 HG13 ' A' ' 16' ' ' ILE . 42.0 mt -51.61 -57.14 3.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 71.109999999999999 111.104 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 15.6 tpt -56.15 -25.21 45.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 75.010000000000005 110.9 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -83.44 -26.96 29.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 74.409999999999997 110.882 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -76.05 -36.96 58.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 71.5 110.899 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.987 HD12 ' HB3' ' A' ' 3' ' ' ALA . 48.7 mm -64.3 -48.28 86.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 64.329999999999998 111.154 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.95 -20.88 69.15 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.743 -0.741 . . . . 72.519999999999996 112.466 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 47.7 tp60 -79.77 -31.24 40.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.875 0.369 . . . . 74.430000000000007 110.961 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 112.35 23.07 5.59 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.707 -0.759 . . . . 62.299999999999997 112.477 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 5.7 m0 -75.14 147.0 40.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.781 0.324 . . . . 74.439999999999998 110.979 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.427 ' O ' HD12 ' A' ' 36' ' ' ILE . 20.2 p -73.13 168.01 19.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 50.119999999999997 111.124 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.469 ' H ' HD12 ' A' ' 33' ' ' ILE . 4.1 mp -71.15 -24.28 24.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 75.329999999999998 111.09 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -87.9 2.49 51.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 70.129999999999995 110.883 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.5 mm100 -91.92 -44.25 9.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 74.310000000000002 110.917 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.507 ' H ' HD12 ' A' ' 36' ' ' ILE . 5.3 mp -74.45 -54.29 15.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 63.140000000000001 111.156 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -51.88 -30.19 22.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 75.209999999999994 110.884 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 13.4 mmmt -91.61 -26.07 18.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 75.340000000000003 110.91 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 53.3 t90 -65.62 -39.55 91.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.467 . . . . 75.239999999999995 110.934 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.764 HD23 ' CE1' ' A' ' 11' ' ' PHE . 17.7 tp -82.17 -39.5 23.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 70.140000000000001 110.913 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.3 -27.0 63.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 62.43 110.881 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 43.3 mtp85 -75.64 -37.12 59.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 74.310000000000002 110.91 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 22.6 m-70 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 65.519999999999996 110.83 179.978 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.851 0.358 . . . . 64.33 111.099 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 42.6 mmtt -57.42 -26.83 61.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 73.14 110.899 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.729 HD11 HD11 ' A' ' 27' ' ' ILE . 10.5 mt -95.76 -37.84 10.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 74.31 110.904 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.757 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 98.3 t -65.65 -30.41 50.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 55.5 111.138 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.0 -28.33 23.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 64.2 111.117 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 44.9 mmtm -105.65 -40.74 5.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.274 -0.421 . . . . 73.24 110.895 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -76.69 -73.1 0.3 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 71.11 110.906 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.431 ' O ' HG22 ' A' ' 16' ' ' ILE . . . 117.53 176.2 17.29 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.73 -0.748 . . . . 54.31 112.536 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.757 ' CZ3' HG11 ' A' ' 8' ' ' VAL . 5.8 m95 -68.23 -52.38 22.31 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.577 0.703 . . . . 74.34 110.924 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.64 ' HD2' ' N ' ' A' ' 13' ' ' TRP . 54.0 Cg_endo -69.79 -8.65 24.13 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.727 2.284 . . . . 74.13 112.385 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -102.86 -37.21 7.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 73.31 110.89 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.515 HG13 HD13 ' A' ' 23' ' ' ILE . 18.5 tt -77.58 -29.9 16.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 75.04 111.106 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -69.01 -20.79 64.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 62.44 110.85 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.4 mmtp -66.18 -32.35 73.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 73.12 110.913 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -143.52 42.75 1.49 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 74.3 110.882 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 73.5 t80 -61.42 -26.46 67.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.14 -0.482 . . . . 61.43 110.906 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 35.5 tptt -69.79 -30.85 68.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 65.13 110.917 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -92.05 -45.54 8.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 73.21 110.946 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.515 HD13 HG13 ' A' ' 16' ' ' ILE . 41.3 mt -61.01 -57.34 12.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 71.44 111.106 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 3.2 ttt -56.79 -25.98 56.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 71.34 110.887 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.3 mm100 -70.42 -44.22 68.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 64.53 110.884 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -52.96 -51.31 61.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 64.22 110.85 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.729 HD11 HD11 ' A' ' 7' ' ' LEU . 51.0 mm -54.26 -48.65 66.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 73.33 111.161 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.81 -19.95 63.69 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.766 -0.73 . . . . 52.35 112.485 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 55.0 tp60 -84.0 -28.77 27.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.884 0.373 . . . . 75.02 110.93 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 110.9 21.46 6.71 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.8 -0.714 . . . . 75.25 112.523 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 9.2 m0 -76.21 136.46 39.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.851 0.358 . . . . 75.01 110.971 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.444 ' O ' HD12 ' A' ' 36' ' ' ILE . 31.0 p -61.1 165.11 4.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.277 -0.419 . . . . 73.45 111.165 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 66.3 mt -65.22 -25.19 36.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 65.35 111.13 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -83.77 -26.58 29.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 75.23 110.846 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.7 mm-40 -58.74 -46.49 87.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 63.45 110.926 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.504 HG21 HD13 ' A' ' 7' ' ' LEU . 5.4 mp -75.99 -52.31 18.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 71.2 111.137 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -52.04 -31.22 29.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.475 . . . . 75.04 110.864 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 57.2 mttt -89.3 -38.83 13.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.147 -0.479 . . . . 75.11 110.896 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 78.9 t90 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.439 . . . . 72.1 110.916 179.943 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.875 0.369 . . . . 71.14 111.098 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 19.8 mmmt -79.81 -34.43 39.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 53.02 110.877 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.498 HD22 ' HB ' ' A' ' 36' ' ' ILE . 9.6 mt -78.78 -43.75 24.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.264 -0.425 . . . . 65.14 110.888 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.664 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 89.8 t -66.25 -25.82 36.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 71.3 111.112 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.23 -22.22 51.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 62.24 111.071 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -115.24 -28.9 6.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 72.32 110.916 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -86.05 -62.28 1.56 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 72.34 110.873 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 114.2 172.78 17.94 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.766 -0.73 . . . . 75.12 112.473 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.664 ' CZ3' HG11 ' A' ' 8' ' ' VAL . 5.8 m95 -67.71 -52.39 26.18 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.552 0.691 . . . . 75.5 110.92 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.635 ' HD2' ' N ' ' A' ' 13' ' ' TRP . 54.1 Cg_endo -69.74 -8.76 24.43 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.655 2.236 . . . . 73.31 112.379 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -101.81 -37.64 8.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 75.22 110.923 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.592 HD11 HG21 ' A' ' 23' ' ' ILE . 1.0 OUTLIER -75.34 -29.84 21.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.147 -0.479 . . . . 75.23 111.173 179.936 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -76.24 -18.18 59.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 63.44 110.932 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 41.6 mmtt -74.62 -24.74 58.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 72.0 110.896 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.449 ' C ' HD12 ' A' ' 23' ' ' ILE . 50.1 m-85 -140.11 30.99 1.98 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 71.31 110.864 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -60.19 -38.94 84.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 75.22 110.95 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 47.7 mmtm -55.14 -36.15 65.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.057 -0.52 . . . . 63.01 110.886 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -87.61 -41.44 13.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 60.43 110.887 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.592 HG21 HD11 ' A' ' 16' ' ' ILE . 12.5 mt -60.03 -61.07 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 71.22 111.136 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 8.2 ptm -55.36 -26.88 43.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 72.5 110.872 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.1 mm100 -68.11 -30.61 69.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 75.44 110.912 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -71.34 -39.49 71.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 73.11 110.854 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 47.2 mm -57.41 -53.15 47.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 74.14 111.129 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.33 -19.43 46.81 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.759 -0.734 . . . . 52.25 112.509 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -85.27 -28.6 25.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.903 0.382 . . . . 41.42 110.96 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 104.97 28.41 5.6 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.753 -0.737 . . . . 61.02 112.5 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 7.5 m0 -79.84 137.32 36.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.819 0.342 . . . . 72.14 110.903 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.462 ' O ' HD12 ' A' ' 36' ' ' ILE . 22.5 p -64.53 168.48 5.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 73.55 111.116 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.48 ' H ' HD12 ' A' ' 33' ' ' ILE . 4.1 mp -67.13 -26.67 37.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 75.24 111.116 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 62.5 m-20 -82.05 -25.98 34.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 73.32 110.905 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -58.4 -47.54 83.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 61.44 110.95 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.502 HD12 ' H ' ' A' ' 36' ' ' ILE . 5.3 mp -72.54 -51.81 26.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 72.32 111.115 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -51.98 -30.84 26.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 73.33 110.901 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 27.2 tptp -93.14 -25.67 17.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 63.25 110.921 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 57.9 t90 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 75.02 110.924 179.943 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.459 ' O ' ' HB2' ' A' ' 9' ' ' ALA . . . . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.861 0.363 . . . . 32.24 111.091 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -69.6 -36.81 76.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 75.33 110.894 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.549 HD13 HG21 ' A' ' 36' ' ' ILE . 8.0 mt -81.02 -47.59 13.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 65.24 110.942 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.695 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 90.9 t -63.6 -26.72 41.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 73.22 111.149 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.459 ' HB2' ' O ' ' A' ' 5' ' ' ALA . . . -56.92 -23.82 47.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 52.52 111.089 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.3 mtmm -113.82 -30.93 6.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 63.11 110.853 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -83.61 -63.49 1.34 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 72.23 110.845 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 113.71 173.7 18.54 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.715 -0.755 . . . . 72.11 112.465 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.695 ' CZ3' HG11 ' A' ' 8' ' ' VAL . 5.8 m95 -67.93 -52.47 24.19 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.559 0.695 . . . . 62.0 110.952 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.635 ' HD2' ' N ' ' A' ' 13' ' ' TRP . 54.3 Cg_endo -69.68 -8.71 24.29 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.707 2.271 . . . . 62.12 112.339 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -102.52 -38.3 7.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.436 . . . . 73.04 110.851 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.553 HD11 HG21 ' A' ' 23' ' ' ILE . 1.0 OUTLIER -75.67 -30.02 21.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.461 . . . . 60.23 111.144 179.931 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -72.76 -19.57 61.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 71.05 110.903 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.36 -32.09 73.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 75.41 110.899 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -144.26 39.98 1.33 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 74.42 110.858 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -61.46 -41.45 97.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 75.11 110.903 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 20.5 ttpp -57.22 -25.66 59.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.115 -0.493 . . . . 73.44 110.916 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -93.67 -36.57 12.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.451 . . . . 63.42 110.933 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.553 HG21 HD11 ' A' ' 16' ' ' ILE . 7.5 mt -70.15 -59.84 3.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 61.35 111.138 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -55.57 -26.06 41.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 63.52 110.896 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -69.62 -26.18 64.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.431 . . . . 63.02 110.865 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -73.94 -41.39 62.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 74.2 110.885 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 51.6 mm -57.1 -50.24 77.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 74.23 111.126 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.32 -19.55 59.87 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.748 -0.739 . . . . 73.13 112.493 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -82.96 -27.54 30.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.824 0.345 . . . . 72.51 110.928 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 109.85 19.84 7.96 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.74 -0.743 . . . . 71.23 112.517 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 6.9 m0 -76.6 138.45 40.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.886 0.374 . . . . 64.31 110.906 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 23.1 p -65.98 -179.79 0.79 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.244 -0.435 . . . . 73.43 111.155 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.457 ' H ' HD12 ' A' ' 33' ' ' ILE . 5.1 mp -73.81 -42.96 53.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 64.43 111.149 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -67.19 -26.24 66.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 73.32 110.844 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -54.72 -51.77 64.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 74.41 110.914 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.549 HG21 HD13 ' A' ' 7' ' ' LEU . 5.3 mp -73.42 -49.76 34.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 70.53 111.11 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -52.11 -30.05 24.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 71.02 110.887 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.3 tppt? -95.18 -27.87 15.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 74.24 110.885 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 64.7 t90 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.248 -0.433 . . . . 74.52 110.921 179.901 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.862 0.363 . . . . 53.52 111.106 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.726 ' HD3' HD11 ' A' ' 33' ' ' ILE . 25.1 mttt -60.31 -46.67 89.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 70.3 110.937 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.86 HD13 HG21 ' A' ' 36' ' ' ILE . 9.1 mt -87.17 -35.11 18.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 73.11 110.941 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.66 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 86.5 t -67.07 -26.01 35.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 74.42 111.103 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.36 -21.66 50.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 73.41 111.07 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 33.6 mttm -116.06 -28.15 6.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 63.25 110.892 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -87.01 -61.81 1.64 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 74.1 110.887 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 114.08 172.97 18.09 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.762 -0.732 . . . . 72.34 112.52 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.66 ' CZ3' HG11 ' A' ' 8' ' ' VAL . 5.5 m95 -68.1 -52.61 22.39 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.51 0.672 . . . . 55.02 110.899 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.634 ' HD2' ' N ' ' A' ' 13' ' ' TRP . 54.0 Cg_endo -69.75 -10.12 27.79 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.687 2.258 . . . . 62.13 112.356 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -99.7 -45.39 5.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.432 . . . . 74.42 110.841 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.604 HD11 HG21 ' A' ' 23' ' ' ILE . 1.0 OUTLIER -65.28 -29.66 47.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 64.34 111.136 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.1 ptmm? -75.25 -18.23 60.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 71.31 110.892 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.8 ttmm -71.8 -25.8 62.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 73.33 110.896 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -144.03 35.11 1.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.434 . . . . 52.21 110.868 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -65.34 -30.88 71.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 73.3 110.914 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 34.4 tttp -54.88 -41.96 71.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 71.44 110.933 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 21.7 mm100 -84.11 -46.05 12.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 72.35 110.878 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.604 HG21 HD11 ' A' ' 16' ' ' ILE . 21.7 mt -51.97 -63.57 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 65.23 111.122 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.68 ' HA ' HD12 ' A' ' 27' ' ' ILE . 3.8 ptm -54.43 -28.02 41.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 61.52 110.867 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -76.08 -29.72 58.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.28 -0.418 . . . . 74.53 110.925 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -74.67 -31.48 61.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 71.11 110.899 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.68 HD12 ' HA ' ' A' ' 24' ' ' MET . 57.1 mt -60.79 -51.72 69.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 62.32 111.137 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -61.49 -19.56 57.96 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.747 -0.739 . . . . 52.44 112.51 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 45.6 tp60 -80.46 -26.59 38.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.838 0.351 . . . . 53.34 110.916 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 106.56 26.77 5.76 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.776 -0.726 . . . . 75.11 112.522 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 16.3 m0 -81.64 133.97 35.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.778 0.323 . . . . 74.14 110.971 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.475 ' O ' HD12 ' A' ' 36' ' ' ILE . 43.6 p -75.51 174.19 9.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.289 -0.414 . . . . 63.01 111.152 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.726 HD11 ' HD3' ' A' ' 6' ' ' LYS . 58.1 mt -59.61 -34.65 55.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 62.31 111.093 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -71.28 -38.16 71.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 74.32 110.882 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.18 -54.28 32.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.436 . . . . 65.22 110.913 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.86 HG21 HD13 ' A' ' 7' ' ' LEU . 5.3 mp -73.06 -47.64 47.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 73.23 111.14 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -52.98 -28.81 25.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.475 . . . . 72.01 110.906 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.6 mmmm -98.01 -25.27 15.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 63.4 110.902 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 47.0 t90 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 72.13 110.897 179.942 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.861 0.363 . . . . 74.05 111.142 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -57.91 -27.32 63.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 71.31 110.906 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.654 HD13 HG21 ' A' ' 36' ' ' ILE . 9.1 mt -103.01 -34.05 9.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 72.01 110.947 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.762 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 89.5 t -68.71 -28.78 41.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 73.2 111.14 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.92 -25.7 31.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 71.33 111.092 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.9 mptt -110.17 -37.37 5.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 74.41 110.891 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -78.77 -69.04 0.59 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 72.32 110.901 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.437 ' O ' HG22 ' A' ' 16' ' ' ILE . . . 114.03 175.3 18.91 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.752 -0.737 . . . . 75.12 112.49 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.762 ' CZ3' HG11 ' A' ' 8' ' ' VAL . 5.8 m95 -68.15 -52.41 22.81 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.616 0.722 . . . . 74.3 110.937 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.619 ' HD2' ' N ' ' A' ' 13' ' ' TRP . 53.4 Cg_endo -69.76 -8.55 23.89 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.709 2.272 . . . . 61.33 112.328 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -103.01 -36.9 8.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 75.14 110.9 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.788 HG13 HD13 ' A' ' 23' ' ' ILE . 17.7 tt -78.04 -29.79 15.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 75.04 111.107 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 13.1 pttp -69.28 -20.6 63.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 74.13 110.891 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 50.2 mmtt -64.64 -34.06 77.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 71.14 110.858 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.483 ' C ' HD12 ' A' ' 23' ' ' ILE . 83.3 m-85 -143.08 41.53 1.52 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 75.31 110.877 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 29.9 t80 -61.66 -31.87 72.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 74.04 110.931 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 67.5 mmtt -63.05 -25.75 68.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.487 . . . . 61.23 110.935 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.5 tp-100 -101.04 -33.82 10.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 62.43 110.912 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.788 HD13 HG13 ' A' ' 16' ' ' ILE . 11.9 mt -66.9 -59.32 3.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.436 . . . . 61.02 111.1 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 11.3 ptm -52.45 -29.73 26.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 74.43 110.831 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 20.0 mm-40 -63.13 -46.18 88.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 73.11 110.948 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -52.15 -50.59 61.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 75.11 110.885 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 50.8 mm -51.72 -50.64 30.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 73.21 111.141 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -69.45 -19.2 74.27 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.74 -0.743 . . . . 74.42 112.493 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -78.91 -34.64 44.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.829 0.347 . . . . 74.2 110.941 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 113.25 22.16 5.64 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.711 -0.757 . . . . 41.23 112.438 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 13.6 m0 -81.44 135.66 35.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.833 0.349 . . . . 72.45 110.946 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.478 ' O ' HD12 ' A' ' 36' ' ' ILE . 60.4 p -63.01 171.24 2.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 75.13 111.134 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.472 ' H ' HD12 ' A' ' 33' ' ' ILE . 4.4 mp -66.62 -28.57 43.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 52.11 111.147 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -81.94 -24.36 35.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 73.15 110.86 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.4 mm100 -61.44 -50.25 73.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 63.02 110.9 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.654 HG21 HD13 ' A' ' 7' ' ' LEU . 5.3 mp -74.18 -49.67 31.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 72.43 111.161 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -53.92 -27.67 32.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 72.33 110.905 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -96.94 -26.72 14.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 71.43 110.925 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 44.8 t90 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.448 . . . . 71.34 110.949 179.88 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.848 0.356 . . . . 71.31 111.103 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.41 -29.87 25.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 72.42 110.897 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.491 HD22 ' HB ' ' A' ' 36' ' ' ILE . 8.3 mt -80.75 -45.8 16.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 62.45 110.936 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.712 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 90.4 t -64.62 -24.11 34.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 63.44 111.128 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.51 -23.82 42.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 72.33 111.121 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 56.4 mmtt -115.36 -37.5 4.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 74.21 110.888 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -75.21 -67.99 0.6 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.277 -0.42 . . . . 74.21 110.879 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 113.15 175.47 19.32 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.77 -0.729 . . . . 72.51 112.46 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.712 ' CZ3' HG11 ' A' ' 8' ' ' VAL . 5.6 m95 -68.2 -52.56 21.88 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.553 0.692 . . . . 73.34 110.95 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.632 ' HD2' ' N ' ' A' ' 13' ' ' TRP . 53.5 Cg_endo -69.82 -8.62 24.07 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.657 2.238 . . . . 64.52 112.299 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -102.51 -38.31 7.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.435 . . . . 75.54 110.861 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.7 HD13 HG22 ' A' ' 8' ' ' VAL . 1.3 tt -75.7 -29.87 20.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 74.21 111.173 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.8 pttp -69.85 -20.32 63.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.144 -0.48 . . . . 62.2 110.911 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.5 tmtm? -72.24 -23.82 61.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 73.11 110.924 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.463 ' O ' HD12 ' A' ' 23' ' ' ILE . 62.7 m-85 -145.18 39.82 1.21 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 73.44 110.905 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -67.51 -25.82 66.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.081 -0.509 . . . . 75.25 110.878 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.5 tptm -72.94 -25.26 60.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 65.11 110.908 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 17.8 tp60 -94.67 -48.92 5.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 73.22 110.911 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.49 HD13 HG13 ' A' ' 16' ' ' ILE . 10.0 mt -57.13 -60.16 2.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 61.32 111.124 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.8 tpt -55.47 -25.74 38.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 75.2 110.873 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -72.08 -37.69 69.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 74.21 110.949 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -59.08 -32.65 69.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 44.51 110.913 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 58.0 mt -51.59 -69.61 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 74.32 111.078 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -53.48 -37.9 56.85 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.686 -0.768 . . . . 62.43 112.517 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -53.91 -28.51 37.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.846 0.355 . . . . 62.04 110.927 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 103.63 22.14 9.23 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.683 -0.77 . . . . 30.43 112.487 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 9.2 m0 -82.46 136.64 34.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.824 0.345 . . . . 73.0 110.933 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.455 ' O ' HD12 ' A' ' 36' ' ' ILE . 32.1 p -67.7 174.72 3.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 70.44 111.166 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.5 ' H ' HD12 ' A' ' 33' ' ' ILE . 4.5 mp -69.13 -29.36 42.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 75.43 111.117 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -80.03 -25.9 40.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 75.41 110.835 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 32.7 mm-40 -56.82 -46.11 81.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 73.22 110.936 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.491 ' HB ' HD22 ' A' ' 7' ' ' LEU . 5.3 mp -73.67 -53.76 17.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 72.34 111.162 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -52.0 -30.06 23.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 75.33 110.945 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 69.0 mttt -91.34 -31.97 15.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.494 . . . . 73.12 110.867 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 73.7 t90 . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.226 -0.443 . . . . 64.13 110.937 179.92 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.84 0.353 . . . . 43.25 111.092 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.0 mtmt -55.23 -47.4 75.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 70.11 110.882 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.693 HD11 HD11 ' A' ' 27' ' ' ILE . 9.5 mt -79.53 -30.58 41.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 65.32 110.898 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.756 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 61.7 t -68.81 -26.67 33.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 62.0 111.152 179.808 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.42 -24.11 42.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 74.35 111.059 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 32.6 mttt -112.31 -39.23 4.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.275 -0.42 . . . . 64.21 110.867 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -76.96 -71.81 0.38 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 63.32 110.927 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.415 ' O ' HG22 ' A' ' 16' ' ' ILE . . . 116.85 176.82 17.84 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.738 -0.744 . . . . 64.45 112.461 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.756 ' CZ3' HG11 ' A' ' 8' ' ' VAL . 5.7 m95 -68.64 -52.55 18.67 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.545 0.688 . . . . 71.13 110.9 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.622 ' HD2' ' N ' ' A' ' 13' ' ' TRP . 54.1 Cg_endo -69.84 -8.61 24.03 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.664 2.243 . . . . 43.43 112.334 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -102.57 -40.54 6.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 74.5 110.885 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.518 HD13 HG22 ' A' ' 8' ' ' VAL . 3.5 tt -72.56 -22.05 20.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.151 -0.477 . . . . 61.43 111.131 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.411 ' HG2' ' HA ' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -77.82 -9.17 58.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 70.41 110.843 179.904 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 22.0 mtpp -90.93 -25.72 19.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 75.14 110.906 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -133.09 27.08 4.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 75.24 110.862 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -65.78 -25.46 67.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.129 -0.487 . . . . 74.44 110.925 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 33.4 ttmt -65.11 -32.83 74.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.079 -0.51 . . . . 74.34 110.921 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -95.78 -47.74 6.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 73.13 110.886 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.44 HD13 HG13 ' A' ' 16' ' ' ILE . 25.1 mt -51.63 -57.15 3.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.447 . . . . 64.03 111.182 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 34.4 ttp -56.5 -25.18 50.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 75.44 110.814 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -82.4 -28.11 31.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 63.12 110.942 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -73.93 -40.88 62.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 75.5 110.877 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.693 HD11 HD11 ' A' ' 7' ' ' LEU . 50.3 mm -59.16 -57.54 10.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 70.33 111.132 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -64.21 -19.22 63.75 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.741 -0.742 . . . . 41.42 112.472 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -74.45 -25.81 59.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.824 0.345 . . . . 62.22 110.914 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 106.64 22.27 7.8 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.703 -0.76 . . . . 74.14 112.493 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 6.1 m0 -84.43 138.32 32.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.831 0.348 . . . . 73.22 110.952 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.44 ' O ' HD12 ' A' ' 36' ' ' ILE . 21.2 p -61.35 174.98 0.62 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 63.21 111.165 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.52 ' H ' HD12 ' A' ' 33' ' ' ILE . 4.8 mp -71.78 -37.14 61.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 63.41 111.133 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -73.24 -25.79 60.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.445 . . . . 64.31 110.843 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 12.2 mm-40 -56.0 -50.9 69.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.443 . . . . 73.1 110.945 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.642 HG21 HD13 ' A' ' 7' ' ' LEU . 5.2 mp -72.58 -50.02 37.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 71.03 111.135 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -52.05 -30.29 25.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 72.55 110.873 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -95.03 -25.96 16.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 61.23 110.903 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 69.0 t90 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 73.53 110.925 179.93 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.884 0.373 . . . . 63.2 111.08 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 30.7 mmtt -58.95 -29.31 67.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 72.01 110.907 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.664 HD13 HG21 ' A' ' 36' ' ' ILE . 7.9 mt -84.58 -43.78 14.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 50.13 110.913 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.673 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 68.0 t -67.52 -25.0 32.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 62.54 111.119 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.82 -25.39 28.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 70.15 111.13 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 25.8 mmtm -113.37 -41.64 3.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 73.32 110.882 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -71.82 -72.93 0.2 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 61.14 110.87 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 125.49 174.65 13.98 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.741 -0.742 . . . . 64.12 112.478 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.673 ' CZ3' HG11 ' A' ' 8' ' ' VAL . 5.0 m95 -67.89 -52.72 23.42 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.531 0.682 . . . . 64.43 110.949 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.632 ' HD2' ' N ' ' A' ' 13' ' ' TRP . 53.8 Cg_endo -69.73 -8.58 23.98 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.661 2.24 . . . . 72.41 112.366 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -102.89 -35.57 8.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 73.34 110.874 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.481 ' CD1' HD13 ' A' ' 23' ' ' ILE . 1.2 tp -79.08 -29.6 13.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 72.23 111.108 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 13.2 ptmm? -72.94 -19.44 61.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 72.13 110.883 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 43.6 tttp -75.93 -25.82 56.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 74.23 110.913 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.426 ' O ' HD12 ' A' ' 23' ' ' ILE . 39.3 m-85 -132.34 27.58 4.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 64.21 110.886 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 54.6 t80 -62.73 -27.0 68.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 72.53 110.931 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.1 tptm -68.58 -32.67 72.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 71.23 110.927 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 -89.3 -49.14 6.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 73.24 110.876 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.481 HD13 ' CD1' ' A' ' 16' ' ' ILE . 8.9 mt -55.51 -59.41 2.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.445 . . . . 72.15 111.144 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 1.9 ttt -56.08 -25.56 45.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 65.45 110.852 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -76.24 -25.74 55.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 74.33 110.894 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -76.94 -35.45 57.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 63.44 110.922 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 44.4 mm -58.78 -45.27 91.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.493 . . . . 71.23 111.144 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -69.14 -19.44 73.97 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.733 -0.746 . . . . 12.35 112.493 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -81.15 -28.73 34.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.85 0.357 . . . . 54.32 110.915 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 110.93 22.16 6.39 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.72 -0.752 . . . . 63.53 112.436 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 12.5 m0 -76.88 135.08 38.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.844 0.354 . . . . 71.42 110.891 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.454 ' O ' HD12 ' A' ' 36' ' ' ILE . 15.5 p -68.79 171.89 7.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.269 -0.423 . . . . 74.11 111.097 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 55.8 mt -66.18 -25.29 35.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 73.25 111.061 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -83.36 -26.25 30.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 65.44 110.876 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 11.6 mm-40 -58.97 -47.34 85.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 74.4 110.91 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.664 HG21 HD13 ' A' ' 7' ' ' LEU . 5.3 mp -73.33 -53.72 17.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 73.35 111.187 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -51.96 -30.12 23.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 74.42 110.903 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.6 ttmm -92.59 -25.68 18.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.104 -0.498 . . . . 72.55 110.89 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 62.2 t90 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 73.12 110.895 179.93 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.843 0.354 . . . . 63.21 111.106 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.6 mmmm -71.37 -28.62 64.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.266 -0.425 . . . . 75.02 110.93 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.757 HD13 HG21 ' A' ' 36' ' ' ILE . 6.4 mt -84.08 -46.13 12.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 74.11 110.884 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.698 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 48.8 t -67.3 -18.77 24.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 72.34 111.101 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.75 -24.32 34.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 71.34 111.117 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.86 -45.71 2.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 63.21 110.899 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -63.07 -72.67 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.26 -0.427 . . . . 55.03 110.893 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.402 ' O ' HG22 ' A' ' 16' ' ' ILE . . . 122.92 175.6 14.63 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.762 -0.732 . . . . 53.11 112.518 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.698 ' CZ3' HG11 ' A' ' 8' ' ' VAL . 4.7 m95 -68.2 -52.9 20.61 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 121.555 0.693 . . . . 75.34 110.942 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.63 ' HD2' ' N ' ' A' ' 13' ' ' TRP . 53.9 Cg_endo -69.73 -8.63 24.1 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.695 2.263 . . . . 65.34 112.342 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -102.03 -40.91 6.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 72.52 110.869 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.48 ' CD1' HD13 ' A' ' 23' ' ' ILE . 1.0 OUTLIER -72.08 -29.83 34.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 74.41 111.141 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 37.0 pttt -72.4 -19.67 61.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 74.21 110.914 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 31.2 mttp -70.86 -32.21 69.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 63.12 110.93 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -130.94 29.28 4.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 72.54 110.878 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.404 ' HA ' HD12 ' A' ' 23' ' ' ILE . 74.5 t80 -64.35 -29.69 70.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.103 -0.498 . . . . 74.35 110.962 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.63 -35.98 73.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.101 -0.499 . . . . 75.42 110.897 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 57.6 mt-30 -89.85 -45.39 9.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 64.31 110.915 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.48 HD13 ' CD1' ' A' ' 16' ' ' ILE . 15.0 mt -51.57 -64.06 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 73.55 111.192 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -54.98 -27.1 41.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 62.0 110.91 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 25.1 mm-40 -76.63 -28.54 56.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 72.24 110.946 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -74.24 -38.61 63.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 75.21 110.875 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 50.1 mm -56.98 -50.87 74.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 51.03 111.145 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -67.62 -19.41 71.04 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.788 -0.72 . . . . 72.34 112.469 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -78.25 -26.01 47.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.845 0.355 . . . . 70.12 110.917 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 110.73 19.47 7.78 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.748 -0.739 . . . . 50.14 112.45 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 11.1 m0 -78.49 135.64 37.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.85 0.357 . . . . 75.02 110.942 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 20.1 p -68.08 172.98 4.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 75.51 111.177 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.47 ' H ' HD12 ' A' ' 33' ' ' ILE . 4.5 mp -67.27 -27.03 37.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 64.24 111.116 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -82.11 -26.19 33.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.185 -0.461 . . . . 63.23 110.82 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -57.24 -44.38 83.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 71.24 110.901 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.757 HG21 HD13 ' A' ' 7' ' ' LEU . 5.4 mp -77.01 -54.02 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 73.44 111.168 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -51.83 -30.05 21.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.167 -0.47 . . . . 75.43 110.937 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 24.3 mtpp -91.41 -25.87 19.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 62.43 110.941 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 78.3 t90 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 61.33 110.925 179.905 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.406 ' O ' ' HB2' ' A' ' 9' ' ' ALA . . . . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.893 0.378 . . . . 35.31 111.141 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 29.8 mttp -61.9 -48.54 80.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 73.55 110.896 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 1.018 HD13 HG21 ' A' ' 36' ' ' ILE . 7.6 mt -82.4 -36.55 26.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.274 -0.421 . . . . 72.43 110.938 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.661 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 87.9 t -67.05 -26.6 37.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 61.21 111.107 179.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.406 ' HB2' ' O ' ' A' ' 5' ' ' ALA . . . -58.38 -21.63 50.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 54.42 111.097 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -116.08 -28.04 6.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 62.43 110.84 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -87.54 -62.13 1.57 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 75.52 110.861 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 114.35 173.37 18.1 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.698 -0.763 . . . . 73.45 112.506 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.661 ' CZ3' HG11 ' A' ' 8' ' ' VAL . 5.4 m95 -68.18 -52.64 21.73 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.603 0.716 . . . . 75.33 110.963 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.626 ' HD2' ' N ' ' A' ' 13' ' ' TRP . 53.6 Cg_endo -69.75 -8.59 23.99 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.661 2.241 . . . . 74.2 112.341 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -102.23 -39.8 7.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 75.14 110.871 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.57 HD11 HG21 ' A' ' 23' ' ' ILE . 0.9 OUTLIER -73.26 -30.33 30.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 75.52 111.159 179.93 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -72.04 -19.86 61.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.472 . . . . 70.3 110.881 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.92 -22.6 64.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 72.55 110.941 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -147.83 37.41 0.89 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 73.44 110.874 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 38.2 t80 -73.22 -8.47 55.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 73.31 110.903 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.3 tptm -77.21 -25.0 51.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 70.34 110.922 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -109.15 -36.58 6.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 73.04 110.934 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.57 HG21 HD11 ' A' ' 16' ' ' ILE . 39.1 mt -61.37 -57.31 12.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 62.4 111.122 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 3.3 ttp -58.46 -22.39 54.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 63.23 110.885 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 24.4 mm-40 -81.68 -44.55 16.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 71.01 110.874 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -51.92 -34.78 43.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 61.33 110.875 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 60.9 mt -55.75 -46.85 79.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.485 . . . . 74.22 111.105 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -74.88 -19.31 79.98 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.773 -0.727 . . . . 55.54 112.512 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -75.67 -25.99 57.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.865 0.364 . . . . 75.44 110.888 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 111.9 20.36 6.84 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.723 -0.751 . . . . 72.41 112.464 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 16.0 m0 -82.49 136.67 34.84 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.833 0.349 . . . . 72.35 110.899 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.478 ' O ' HD12 ' A' ' 36' ' ' ILE . 46.7 p -83.02 176.95 8.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.26 -0.427 . . . . 63.54 111.126 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.464 HG22 ' CD ' ' A' ' 37' ' ' GLU . 3.8 mp -61.18 -31.63 50.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 63.32 111.138 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -74.43 -34.28 63.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 55.52 110.867 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.08 -55.95 26.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 64.35 110.874 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 1.018 HG21 HD13 ' A' ' 7' ' ' LEU . 5.2 mp -69.96 -50.26 49.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 71.42 111.191 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.464 ' CD ' HG22 ' A' ' 33' ' ' ILE . 82.6 mt-10 -51.86 -36.91 50.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 72.12 110.899 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 39.5 tttp -86.64 -25.5 24.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 65.41 110.89 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 52.7 t90 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 52.3 110.935 179.923 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.462 ' O ' ' HB2' ' A' ' 9' ' ' ALA . . . . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.844 0.354 . . . . 73.53 111.065 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 19.7 mmtp -70.52 -26.83 63.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 73.1 110.927 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.828 HD13 HG21 ' A' ' 36' ' ' ILE . 6.6 mt -84.86 -51.57 6.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 73.35 110.906 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.638 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 99.1 t -65.11 -23.77 33.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 61.41 111.117 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.462 ' HB2' ' O ' ' A' ' 5' ' ' ALA . . . -57.14 -23.46 47.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 71.41 111.099 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? -116.47 -33.02 5.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 71.31 110.92 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -78.83 -64.32 1.21 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 72.41 110.899 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 116.65 173.37 16.83 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.732 -0.747 . . . . 64.31 112.49 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.638 ' CZ3' HG11 ' A' ' 8' ' ' VAL . 5.9 m95 -67.99 -52.29 24.44 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.583 0.706 . . . . 75.3 110.904 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.633 ' HD2' ' N ' ' A' ' 13' ' ' TRP . 53.4 Cg_endo -69.82 -8.29 23.23 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.745 2.297 . . . . 71.33 112.314 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -103.3 -27.85 12.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 72.21 110.844 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.783 HD12 HD13 ' A' ' 23' ' ' ILE . 3.9 tp -88.01 -29.94 5.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 75.35 111.195 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 36.8 pttt -71.58 -20.12 62.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 64.25 110.904 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 28.0 mmtm -72.53 -25.99 61.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 75.2 110.902 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -140.38 36.7 1.87 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 64.23 110.889 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 64.7 t80 -69.23 -30.34 68.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 53.24 110.918 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.2 tppt? -69.95 -25.77 63.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 73.35 110.879 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 13.4 tp60 -94.47 -39.96 10.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 62.21 110.906 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.783 HD13 HD12 ' A' ' 16' ' ' ILE . 29.6 mt -69.49 -55.64 14.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 64.32 111.096 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -55.92 -25.31 42.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 73.43 110.898 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 22.2 mm-40 -71.16 -25.59 62.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 64.03 110.903 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -77.69 -40.43 41.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 55.22 110.915 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 50.5 mm -51.76 -46.68 39.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 71.44 111.112 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -75.13 -19.18 79.94 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.752 -0.737 . . . . 62.32 112.495 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -77.45 -30.13 53.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.843 0.354 . . . . 71.33 110.891 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 112.59 26.57 4.16 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.73 -0.748 . . . . 61.03 112.505 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 10.2 m0 -79.21 154.62 29.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.813 0.34 . . . . 73.34 110.907 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.458 ' O ' HD12 ' A' ' 36' ' ' ILE . 20.2 p -89.66 162.74 15.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.447 . . . . 65.45 111.146 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 65.4 mt -58.96 -25.04 28.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 73.02 111.138 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -82.91 -31.79 27.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 62.42 110.898 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -56.78 -46.87 81.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 73.53 110.888 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.828 HG21 HD13 ' A' ' 7' ' ' LEU . 5.3 mp -74.79 -52.44 19.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 63.02 111.158 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -51.79 -30.11 21.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 73.44 110.852 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.1 mmtt -90.47 -28.01 18.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 74.1 110.913 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 92.5 t90 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 74.13 110.915 179.931 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.844 0.354 . . . . 70.21 111.102 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 19.0 mmtm -54.23 -32.75 56.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 52.21 110.919 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 1.034 HD13 HG21 ' A' ' 36' ' ' ILE . 6.3 mt -85.08 -37.67 20.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.451 . . . . 63.45 110.911 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.768 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 26.1 t -71.47 -14.71 17.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 35.32 111.163 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.7 -23.51 42.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 54.43 111.171 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -123.49 -48.26 1.95 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 73.11 110.89 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -58.67 -73.58 0.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 73.42 110.842 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.445 ' O ' HG22 ' A' ' 16' ' ' ILE . . . 121.29 174.97 14.98 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.743 -0.742 . . . . 65.11 112.44 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.768 ' CZ3' HG11 ' A' ' 8' ' ' VAL . 6.0 m95 -67.0 -52.4 31.56 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.615 0.722 . . . . 72.14 110.936 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.638 ' HD2' ' N ' ' A' ' 13' ' ' TRP . 54.3 Cg_endo -69.78 -8.51 23.79 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.655 2.237 . . . . 60.42 112.329 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -104.22 -28.81 11.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 61.33 110.855 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.566 HD11 HG21 ' A' ' 23' ' ' ILE . 1.0 OUTLIER -89.3 -29.62 5.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.152 -0.477 . . . . 53.43 111.181 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 42.5 pttt -67.23 -21.31 65.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 75.34 110.905 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 52.9 mttm -63.54 -28.52 70.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 65.55 110.861 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.437 ' C ' HD12 ' A' ' 23' ' ' ILE . 74.5 m-85 -142.63 32.47 1.45 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 73.31 110.882 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 76.3 t80 -63.66 -26.12 68.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.466 . . . . 64.43 110.974 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -66.11 -32.45 73.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.058 -0.519 . . . . 63.41 110.875 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -92.43 -44.44 8.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 70.25 110.873 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.566 HG21 HD11 ' A' ' 16' ' ' ILE . 11.8 mt -54.81 -62.13 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 73.13 111.18 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 4.8 tmm? -55.98 -25.25 43.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 73.15 110.889 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -74.14 -26.64 60.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 61.42 110.907 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -75.02 -35.71 61.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 62.41 110.863 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 44.5 mm -52.33 -43.57 40.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.478 . . . . 73.1 111.16 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -70.93 -19.44 77.0 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.71 -0.757 . . . . 72.12 112.484 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 58.6 tp60 -81.53 -28.33 34.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.822 0.344 . . . . 74.23 110.89 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 110.79 26.97 4.51 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.753 -0.737 . . . . 53.24 112.457 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 19.4 m0 -83.02 133.04 35.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.869 0.366 . . . . 71.53 110.895 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 19.2 p -78.14 177.21 8.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 70.43 111.147 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.52 ' H ' HD12 ' A' ' 33' ' ' ILE . 4.5 mp -60.85 -30.68 47.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 70.0 111.16 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -74.8 -35.68 62.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 61.15 110.873 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -53.84 -48.15 70.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 73.13 110.884 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 1.034 HG21 HD13 ' A' ' 7' ' ' LEU . 5.2 mp -79.01 -51.14 17.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 75.04 111.106 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -51.47 -30.65 20.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 75.44 110.866 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 55.9 mmtt -90.17 -42.07 11.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 64.51 110.882 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 64.3 t90 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.444 . . . . 70.1 110.923 179.925 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.506 ' O ' ' HB2' ' A' ' 9' ' ' ALA . . . . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.867 0.365 . . . . 72.35 111.081 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 65.8 mmtt -77.68 -26.18 50.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 75.2 110.905 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.668 HD13 HG21 ' A' ' 36' ' ' ILE . 7.0 mt -88.02 -48.45 7.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.258 -0.428 . . . . 65.35 110.913 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.675 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 90.1 t -65.92 -27.96 42.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 75.43 111.148 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.506 ' HB2' ' O ' ' A' ' 5' ' ' ALA . . . -53.96 -26.95 28.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 74.14 111.074 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 55.0 mmtt -110.48 -36.65 5.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 72.43 110.937 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -77.21 -68.77 0.58 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 74.03 110.911 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 120.81 173.93 14.93 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.792 -0.718 . . . . 65.51 112.503 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.675 ' CZ3' HG11 ' A' ' 8' ' ' VAL . 5.9 m95 -67.74 -52.34 26.16 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-O 121.572 0.701 . . . . 70.13 110.932 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.634 ' HD2' ' N ' ' A' ' 13' ' ' TRP . 53.5 Cg_endo -69.78 -8.26 23.15 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.717 2.278 . . . . 65.52 112.342 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -105.12 -28.36 11.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 74.12 110.872 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.799 HD12 HD13 ' A' ' 23' ' ' ILE . 3.4 tp -86.45 -29.04 5.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 74.43 111.123 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 10.8 pttp -74.43 -19.13 60.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 73.32 110.878 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 36.3 tttm -76.81 -27.59 55.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.439 . . . . 61.5 110.902 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -132.13 29.94 4.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.261 -0.427 . . . . 74.3 110.88 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -66.03 -25.94 67.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.116 -0.493 . . . . 54.42 110.941 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.4 tttp -65.89 -32.17 73.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.494 . . . . 73.32 110.868 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 61.6 mt-30 -88.73 -54.7 4.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.436 . . . . 73.11 110.882 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.799 HD13 HD12 ' A' ' 16' ' ' ILE . 11.5 mt -51.63 -60.13 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 73.1 111.112 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 15.0 ttt -55.65 -25.67 40.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 61.52 110.862 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.6 mm100 -77.8 -33.89 52.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 74.04 110.905 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -71.5 -36.58 71.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 71.24 110.87 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 50.3 mm -56.19 -43.7 77.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 72.42 111.139 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -72.68 -19.71 79.31 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.783 -0.723 . . . . 73.12 112.486 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 34.0 tp60 -80.75 -26.37 37.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.874 0.369 . . . . 63.43 110.901 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 111.88 21.55 6.32 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.749 -0.739 . . . . 40.31 112.503 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 12.0 m0 -75.65 135.18 40.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.847 0.356 . . . . 73.51 110.94 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.404 ' O ' HD12 ' A' ' 36' ' ' ILE . 82.6 p -72.22 171.0 12.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 72.51 111.153 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.499 ' H ' HD12 ' A' ' 33' ' ' ILE . 4.2 mp -64.49 -25.65 38.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 74.43 111.141 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -80.11 -28.22 39.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 73.11 110.886 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 65.4 mm-40 -58.75 -50.73 72.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 55.25 110.923 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.668 HG21 HD13 ' A' ' 7' ' ' LEU . 5.3 mp -70.48 -51.82 34.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 53.01 111.098 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -51.78 -30.05 21.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.468 . . . . 75.34 110.899 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 18.5 tptp -91.59 -27.03 18.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 72.21 110.882 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 72.0 t90 . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.218 -0.446 . . . . 73.11 110.895 179.947 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.866 0.365 . . . . 71.23 111.133 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 11.5 mmmt -79.79 -26.56 40.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 74.15 110.919 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.709 HD13 HG21 ' A' ' 36' ' ' ILE . 7.5 mt -90.53 -43.48 10.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.256 -0.429 . . . . 52.43 110.889 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.699 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 91.6 t -66.33 -30.29 49.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.201 -0.454 . . . . 75.42 111.138 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.99 -28.88 18.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 71.33 111.109 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -107.35 -39.7 5.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 73.23 110.884 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -75.81 -72.31 0.32 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 72.4 110.922 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 124.48 175.32 14.29 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.697 -0.763 . . . . 64.12 112.468 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.699 ' CZ3' HG11 ' A' ' 8' ' ' VAL . 5.4 m95 -68.38 -52.64 20.26 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.559 0.695 . . . . 62.02 110.918 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.624 ' HD2' ' N ' ' A' ' 13' ' ' TRP . 53.9 Cg_endo -69.72 -8.35 23.37 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.66 2.24 . . . . 74.25 112.395 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -105.4 -28.21 11.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 74.34 110.913 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.713 HG13 HD13 ' A' ' 23' ' ' ILE . 1.0 OUTLIER -87.79 -28.67 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 52.32 111.142 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.4 pttm -74.81 -18.68 60.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 72.05 110.862 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 32.2 mmtt -74.67 -26.93 60.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 74.44 110.93 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.591 ' C ' HD12 ' A' ' 23' ' ' ILE . 32.3 m-85 -130.02 25.5 5.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 74.2 110.866 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -58.22 -24.78 60.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.188 -0.46 . . . . 72.12 110.91 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -65.29 -40.6 94.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.087 -0.506 . . . . 74.13 110.876 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 38.2 mm-40 -85.84 -46.0 11.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 72.12 110.928 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.713 HD13 HG13 ' A' ' 16' ' ' ILE . 7.9 mt -51.79 -63.71 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 64.24 111.076 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 67.8 mmm -56.36 -24.88 47.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 62.24 110.904 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -79.77 -24.66 41.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 75.31 110.93 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -79.47 -35.91 39.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 75.51 110.868 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 51.0 mm -62.05 -49.94 82.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.134 -0.485 . . . . 64.22 111.14 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -67.61 -19.61 71.22 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.726 -0.749 . . . . 70.35 112.455 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 45.1 tp60 -78.82 -27.97 44.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.818 0.342 . . . . 55.23 110.853 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 112.5 20.15 6.7 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.7 -0.762 . . . . 33.4 112.477 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 14.8 m0 -77.6 134.34 38.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.835 0.35 . . . . 72.41 110.961 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.5 p -67.96 173.09 4.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 64.51 111.178 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.504 ' H ' HD12 ' A' ' 33' ' ' ILE . 4.3 mp -66.56 -25.21 34.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.289 -0.414 . . . . 70.34 111.134 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -82.97 -27.87 30.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.475 . . . . 62.15 110.89 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -56.01 -42.72 76.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 74.32 110.924 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.709 HG21 HD13 ' A' ' 7' ' ' LEU . 5.3 mp -80.3 -47.79 20.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 74.31 111.15 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -51.89 -29.99 22.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 73.51 110.822 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 25.6 tptp -91.79 -35.06 14.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 73.13 110.911 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 86.0 t90 . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.2 -0.454 . . . . 61.12 110.915 179.93 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.428 ' O ' ' HB2' ' A' ' 9' ' ' ALA . . . . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.835 0.35 . . . . 62.01 111.082 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 20.1 mmmt -63.25 -25.79 68.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.27 -0.423 . . . . 72.31 110.878 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.877 HD13 HG21 ' A' ' 36' ' ' ILE . 6.3 mt -94.41 -47.33 6.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 71.05 110.924 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.674 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 59.9 t -66.73 -20.23 26.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 64.35 111.104 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.428 ' HB2' ' O ' ' A' ' 5' ' ' ALA . . . -55.13 -25.35 31.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 73.13 111.131 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 25.0 mmmt -118.22 -41.71 2.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 72.43 110.908 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -66.37 -70.43 0.24 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.447 . . . . 53.44 110.867 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 121.39 174.18 14.77 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.772 -0.728 . . . . 54.04 112.51 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.674 ' CZ3' HG11 ' A' ' 8' ' ' VAL . 5.7 m95 -67.84 -52.43 25.06 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.572 0.701 . . . . 72.55 110.985 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.625 ' HD2' ' N ' ' A' ' 13' ' ' TRP . 53.9 Cg_endo -69.82 -8.29 23.24 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.682 2.254 . . . . 71.01 112.338 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -102.96 -32.71 9.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 71.2 110.852 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.444 HD11 HG21 ' A' ' 23' ' ' ILE . 1.1 tp -81.96 -29.67 9.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 55.43 111.119 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.93 -19.53 61.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 75.31 110.884 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.36 -32.62 64.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 74.12 110.873 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.457 ' C ' HD12 ' A' ' 23' ' ' ILE . 65.8 m-85 -128.54 29.43 5.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 71.42 110.875 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 69.4 t80 -62.19 -28.35 69.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 65.02 110.923 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.7 mtpt -66.49 -34.28 77.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.088 -0.505 . . . . 71.5 110.864 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -88.27 -47.3 8.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 73.54 110.902 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.457 HD12 ' C ' ' A' ' 19' ' ' PHE . 9.8 mt -54.17 -62.9 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 71.3 111.142 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.572 ' HA ' HD12 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -55.9 -25.35 42.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 73.23 110.882 179.865 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 -75.5 -27.81 58.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 73.43 110.913 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -73.13 -32.51 64.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 72.35 110.877 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.572 HD12 ' HA ' ' A' ' 24' ' ' MET . 53.3 mt -59.98 -50.23 80.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 75.05 111.117 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -66.64 -19.52 69.2 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.732 -0.747 . . . . 62.31 112.513 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 56.4 tp60 -79.88 -27.61 40.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.86 0.362 . . . . 70.55 110.949 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 107.96 22.86 7.03 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.756 -0.735 . . . . 31.55 112.478 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 7.5 m0 -76.3 137.13 39.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.864 0.364 . . . . 75.44 110.914 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.468 ' O ' HD12 ' A' ' 36' ' ' ILE . 28.9 p -71.59 164.13 26.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 73.34 111.112 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 51.5 mm -59.52 -25.22 30.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 45.21 111.162 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -82.11 -31.65 30.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.14 -0.482 . . . . 75.32 110.865 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 48.9 mm-40 -56.17 -48.88 75.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 73.0 110.903 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.877 HG21 HD13 ' A' ' 7' ' ' LEU . 5.3 mp -70.96 -54.31 18.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 64.2 111.115 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -51.93 -29.72 21.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 75.44 110.875 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 28.3 mmtp -91.57 -26.06 18.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 65.14 110.913 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 90.4 t90 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 75.54 110.955 179.896 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.425 ' O ' ' HB2' ' A' ' 9' ' ' ALA . . . . . . . . 0 N--CA 1.457 -0.087 0 CA-C-O 120.889 0.376 . . . . 71.02 111.097 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 30.4 mmtp -78.25 -33.99 49.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 75.13 110.893 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.45 HD13 HG21 ' A' ' 36' ' ' ILE . 8.8 mt -81.38 -44.8 17.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 75.44 110.889 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.652 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 83.9 t -67.63 -24.86 31.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 72.21 111.122 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.425 ' HB2' ' O ' ' A' ' 5' ' ' ALA . . . -56.57 -23.92 43.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 52.32 111.118 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 57.2 mmtt -113.69 -35.07 5.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 61.52 110.935 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -78.5 -66.7 0.82 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 64.33 110.913 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 119.27 173.78 15.59 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.72 -0.752 . . . . 53.11 112.499 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.652 ' CZ3' HG11 ' A' ' 8' ' ' VAL . 5.5 m95 -68.44 -52.63 19.89 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-O 121.57 0.7 . . . . 72.24 110.886 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.633 ' HD2' ' N ' ' A' ' 13' ' ' TRP . 53.4 Cg_endo -69.8 -8.98 24.97 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.633 2.222 . . . . 72.31 112.35 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -101.41 -43.98 5.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 72.32 110.888 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.689 HD12 HD13 ' A' ' 23' ' ' ILE . 3.5 tp -65.68 -30.03 48.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 63.25 111.085 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -73.92 -19.11 60.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 74.13 110.926 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 79.9 mttt -77.11 -26.36 53.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 72.41 110.921 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.537 ' O ' HD12 ' A' ' 23' ' ' ILE . 31.5 m-85 -131.37 27.55 4.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 65.11 110.892 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 58.3 t80 -64.61 -24.85 67.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 73.0 110.942 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.8 ttpt -67.39 -33.42 75.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.095 -0.502 . . . . 72.54 110.898 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 79.7 mm-40 -89.82 -53.48 4.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 61.2 110.898 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.689 HD13 HD12 ' A' ' 16' ' ' ILE . 7.3 mt -51.74 -56.94 4.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 74.22 111.155 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.721 ' HA ' HD12 ' A' ' 27' ' ' ILE . 13.9 tpt -56.88 -24.54 52.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 63.44 110.888 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 11.8 mm-40 -81.94 -29.57 32.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 73.13 110.894 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -74.97 -32.82 61.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 73.41 110.88 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.721 HD12 ' HA ' ' A' ' 24' ' ' MET . 47.8 mt -58.41 -68.36 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 71.21 111.116 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -52.99 -28.47 32.66 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.722 -0.752 . . . . 71.22 112.499 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -64.75 -30.37 71.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.848 0.356 . . . . 75.33 110.887 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 106.42 32.15 3.78 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.713 -0.756 . . . . 64.34 112.497 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 6.8 m0 -85.94 156.37 20.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.83 0.348 . . . . 75.13 110.938 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.487 ' O ' HD12 ' A' ' 36' ' ' ILE . 70.3 p -83.72 156.03 22.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 74.54 111.107 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.413 ' H ' HD12 ' A' ' 33' ' ' ILE . 3.6 mp -57.86 -24.35 22.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 74.32 111.123 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 61.6 m-20 -85.69 -27.66 25.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.467 . . . . 43.25 110.918 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -60.3 -45.95 91.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 74.23 110.873 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.51 HD12 ' H ' ' A' ' 36' ' ' ILE . 5.3 mp -72.77 -53.8 17.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 60.32 111.117 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -51.61 -30.55 21.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 75.33 110.89 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 21.9 mmmt -92.36 -25.14 18.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.492 . . . . 71.34 110.914 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 72.7 t90 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 71.13 110.944 179.893 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.907 0.384 . . . . 55.1 111.103 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.9 mmmt -62.78 -34.04 76.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 72.14 110.896 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.79 HD13 HG21 ' A' ' 36' ' ' ILE . 7.4 mt -82.01 -43.57 17.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 71.32 110.932 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.643 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 87.6 t -64.89 -25.03 36.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 64.13 111.132 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.44 -22.09 53.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 64.01 111.097 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 30.2 mmtp -116.82 -27.35 6.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 73.25 110.901 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -86.54 -60.27 2.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 75.32 110.874 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 112.46 173.02 18.98 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.741 -0.742 . . . . 64.54 112.457 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.643 ' CZ3' HG11 ' A' ' 8' ' ' VAL . 5.8 m95 -68.16 -52.45 22.6 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.571 0.701 . . . . 74.4 110.897 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.634 ' HD2' ' N ' ' A' ' 13' ' ' TRP . 54.3 Cg_endo -69.76 -8.89 24.75 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.672 2.248 . . . . 74.24 112.355 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -101.59 -41.9 6.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 72.12 110.847 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.585 HD11 HG21 ' A' ' 23' ' ' ILE . 2.9 tp -69.14 -30.44 46.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 73.21 111.139 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.5 -19.82 61.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 54.31 110.904 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.0 tptm -62.11 -42.11 98.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.455 . . . . 75.31 110.885 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.475 ' C ' HD12 ' A' ' 23' ' ' ILE . 86.2 m-85 -132.33 36.23 3.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 62.13 110.868 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 62.5 t80 -61.99 -26.2 68.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.172 -0.467 . . . . 54.3 110.926 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 33.1 tttm -62.01 -40.55 96.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 63.53 110.876 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 23.4 tp60 -85.45 -44.16 12.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 64.42 110.892 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.585 HG21 HD11 ' A' ' 16' ' ' ILE . 11.1 mt -56.56 -59.88 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 72.52 111.136 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 13.3 tpt -56.04 -25.42 44.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 74.42 110.879 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -74.55 -25.91 59.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 75.3 110.935 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -75.42 -43.03 51.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 73.41 110.909 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 50.0 mm -52.56 -40.24 32.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.11 -0.495 . . . . 74.24 111.148 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -74.37 -19.53 79.81 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.74 -0.743 . . . . 53.03 112.48 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -82.98 -26.02 31.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.862 0.363 . . . . 74.13 110.909 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.15 20.27 9.9 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.743 -0.741 . . . . 63.45 112.501 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 6.2 m0 -71.46 138.74 49.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.854 0.359 . . . . 70.13 110.906 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.407 ' O ' HD12 ' A' ' 36' ' ' ILE . 21.1 p -65.4 166.39 10.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.242 -0.435 . . . . 62.02 111.169 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.518 ' H ' HD12 ' A' ' 33' ' ' ILE . 4.5 mp -66.7 -26.13 36.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 33.33 111.146 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 -82.43 -26.95 32.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 75.45 110.852 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 16.7 mm-40 -56.95 -44.98 83.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 74.1 110.929 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.79 HG21 HD13 ' A' ' 7' ' ' LEU . 5.4 mp -76.43 -47.92 28.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 74.13 111.118 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -52.38 -29.68 25.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 73.4 110.901 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -96.48 -25.27 15.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 72.33 110.93 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 46.9 t90 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.458 . . . . 73.52 110.916 179.932 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.898 0.38 . . . . 63.41 111.114 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 21.4 mmtp -55.84 -37.83 69.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 74.43 110.924 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.848 HD13 HG21 ' A' ' 36' ' ' ILE . 9.7 mt -81.15 -38.9 26.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 70.05 110.902 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.675 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 96.4 t -66.22 -26.04 37.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 74.41 111.151 179.803 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.65 -22.74 47.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 74.55 111.126 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 24.4 mmmt -114.46 -31.28 6.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 73.23 110.864 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -83.67 -64.05 1.24 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 72.45 110.91 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 115.33 173.63 17.69 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.768 -0.73 . . . . 62.45 112.544 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.675 ' CZ3' HG11 ' A' ' 8' ' ' VAL . 5.8 m95 -67.99 -52.47 23.74 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.576 0.703 . . . . 74.42 110.924 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.63 ' HD2' ' N ' ' A' ' 13' ' ' TRP . 54.1 Cg_endo -69.67 -10.65 29.17 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.725 2.283 . . . . 61.33 112.361 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -99.74 -41.87 7.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 74.13 110.859 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.625 HD11 HG21 ' A' ' 23' ' ' ILE . 1.2 tp -71.22 -30.01 38.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 73.25 111.13 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -73.84 -19.48 60.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 63.52 110.902 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.72 -26.35 65.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 74.14 110.901 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.408 ' C ' HD12 ' A' ' 23' ' ' ILE . 59.8 m-85 -146.41 37.43 1.01 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.44 . . . . 75.43 110.86 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 51.0 t80 -63.65 -25.92 68.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 73.24 110.895 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.3 mtmt -66.16 -36.0 81.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 74.42 110.911 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 12.3 tp60 -87.45 -45.59 10.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 73.13 110.917 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.625 HG21 HD11 ' A' ' 16' ' ' ILE . 11.9 mt -54.77 -63.04 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 61.31 111.134 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.599 ' SD ' HD12 ' A' ' 27' ' ' ILE . 11.7 tpt -56.43 -25.32 49.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 72.54 110.864 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.3 mm100 -70.54 -26.32 63.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 54.11 110.933 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -72.64 -36.56 68.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 74.43 110.877 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.599 HD12 ' SD ' ' A' ' 24' ' ' MET . 68.2 mt -54.92 -57.78 5.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 74.42 111.11 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -55.64 -28.34 51.46 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.715 -0.755 . . . . 50.02 112.486 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -73.45 -25.8 60.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.882 0.372 . . . . 72.22 110.932 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 102.23 20.44 12.38 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.73 -0.748 . . . . 75.2 112.511 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 9.1 m0 -72.47 140.88 48.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.85 0.357 . . . . 75.24 110.884 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.539 ' O ' HD12 ' A' ' 36' ' ' ILE . 57.1 p -72.09 156.8 38.8 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.205 -0.452 . . . . 75.25 111.142 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 48.0 mm -56.4 -24.7 19.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 72.11 111.154 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -81.41 -36.09 29.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 73.5 110.858 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 -52.65 -47.29 67.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 61.24 110.928 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.848 HG21 HD13 ' A' ' 7' ' ' LEU . 5.1 mp -69.43 -54.56 19.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 74.31 111.128 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -52.34 -31.13 31.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 64.04 110.896 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.4 tppt? -88.67 -26.56 21.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 55.2 110.888 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 48.0 t90 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.237 -0.438 . . . . 64.42 110.971 179.896 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.824 0.345 . . . . 55.24 111.105 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 54.2 mttp -56.05 -36.6 68.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 72.24 110.907 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.597 HD11 HD11 ' A' ' 27' ' ' ILE . 10.0 mt -75.4 -38.31 59.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.241 -0.436 . . . . 74.21 110.936 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.636 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 87.9 t -67.64 -24.13 30.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 71.44 111.121 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.23 -20.9 58.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 63.1 111.09 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -116.72 -27.31 6.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 71.43 110.876 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -87.25 -60.65 1.92 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 62.11 110.834 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 113.15 172.1 18.26 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.787 -0.72 . . . . 73.21 112.484 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.636 ' CZ3' HG11 ' A' ' 8' ' ' VAL . 5.8 m95 -67.83 -52.49 24.83 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.598 0.713 . . . . 63.11 110.929 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.626 ' HD2' ' N ' ' A' ' 13' ' ' TRP . 53.8 Cg_endo -69.77 -8.67 24.19 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.647 2.231 . . . . 75.0 112.355 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -101.51 -44.49 5.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 53.03 110.877 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.521 HD12 HD13 ' A' ' 23' ' ' ILE . 6.7 tp -64.6 -29.54 47.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 72.22 111.152 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.86 -18.75 60.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 73.03 110.916 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.61 -23.71 42.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 74.53 110.899 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -130.98 25.2 4.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 63.23 110.9 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -67.26 -25.7 66.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 55.21 110.966 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.0 mtpp -68.44 -23.78 64.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.108 -0.496 . . . . 71.44 110.9 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.16 -55.22 2.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 74.13 110.947 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.521 HD13 HD12 ' A' ' 16' ' ' ILE . 78.7 mt -50.96 -57.5 2.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.466 . . . . 72.14 111.096 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 6.3 tmm? -56.22 -24.63 43.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 63.33 110.868 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -83.88 -27.96 28.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 62.54 110.929 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -74.74 -32.56 62.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 74.41 110.89 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.597 HD11 HD11 ' A' ' 7' ' ' LEU . 44.3 mm -61.19 -54.09 40.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 71.12 111.159 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -58.6 -20.44 46.3 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.74 -0.743 . . . . 72.3 112.493 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 35.7 tp60 -78.92 -25.98 43.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.855 0.359 . . . . 61.12 110.886 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 112.09 20.8 6.56 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.769 -0.729 . . . . 71.14 112.515 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 13.7 m0 -79.33 136.14 36.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.801 0.334 . . . . 63.4 110.926 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 33.0 p -76.81 -172.82 2.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 74.22 111.127 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.424 ' H ' HD12 ' A' ' 33' ' ' ILE . 4.4 mp -70.48 -44.47 77.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.448 . . . . 75.01 111.093 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -63.87 -29.42 70.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 71.1 110.863 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -55.93 -55.5 31.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 60.31 110.891 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.532 ' HB ' HD22 ' A' ' 7' ' ' LEU . 5.4 mp -76.57 -47.21 29.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 62.41 111.136 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 35.0 mm-40 -51.82 -30.26 22.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 53.24 110.905 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 51.9 tttt -96.14 -28.67 14.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 73.1 110.913 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 45.0 t90 . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.455 . . . . 70.44 110.903 179.921 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.419 ' O ' ' HB2' ' A' ' 9' ' ' ALA . . . . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.86 0.362 . . . . 54.14 111.097 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 29.5 mmtp -74.33 -30.43 62.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 74.24 110.89 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.552 HD11 HD11 ' A' ' 27' ' ' ILE . 7.8 mt -83.25 -46.81 12.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 74.32 110.869 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.759 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 94.5 t -66.2 -32.5 58.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 74.33 111.101 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.419 ' HB2' ' O ' ' A' ' 5' ' ' ALA . . . -51.39 -29.72 16.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.481 . . . . 71.21 111.087 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 21.7 mmmt -104.69 -39.96 6.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 73.44 110.891 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -77.74 -73.25 0.32 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 73.43 110.926 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 120.22 176.09 15.71 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.703 -0.76 . . . . 75.33 112.482 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.759 ' CZ3' HG11 ' A' ' 8' ' ' VAL . 5.1 m95 -68.74 -52.79 17.28 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.604 0.716 . . . . 72.35 110.937 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.625 ' HD2' ' N ' ' A' ' 13' ' ' TRP . 53.6 Cg_endo -69.8 -8.83 24.61 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.682 2.255 . . . . 71.22 112.292 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -101.45 -48.19 4.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.299 -0.41 . . . . 72.44 110.859 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.591 HD12 HG22 ' A' ' 8' ' ' VAL . 17.7 tt -61.42 -30.08 47.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 70.21 111.14 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.32 -22.39 66.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.113 -0.494 . . . . 75.05 110.863 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.8 tmtm? -73.17 -25.94 60.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 72.42 110.836 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -138.65 41.21 2.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 74.35 110.916 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 33.5 t80 -76.4 -25.06 54.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 53.3 110.928 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.68 -29.67 68.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 74.54 110.896 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 41.7 mm-40 -93.27 -54.56 3.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 73.14 110.914 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.416 HD13 HG13 ' A' ' 16' ' ' ILE . 42.0 mt -51.61 -57.14 3.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 71.11 111.104 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 15.6 tpt -56.15 -25.21 45.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 75.01 110.9 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -83.44 -26.96 29.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 74.41 110.882 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -76.05 -36.96 58.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 71.5 110.899 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.552 HD11 HD11 ' A' ' 7' ' ' LEU . 48.7 mm -64.3 -48.28 86.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 64.33 111.154 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.95 -20.88 69.15 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.743 -0.741 . . . . 72.52 112.466 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 47.7 tp60 -79.77 -31.24 40.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.875 0.369 . . . . 74.43 110.961 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 112.35 23.07 5.59 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.707 -0.759 . . . . 62.3 112.477 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 5.7 m0 -75.14 147.0 40.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.781 0.324 . . . . 74.44 110.979 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.427 ' O ' HD12 ' A' ' 36' ' ' ILE . 20.2 p -73.13 168.01 19.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 50.12 111.124 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.469 ' H ' HD12 ' A' ' 33' ' ' ILE . 4.1 mp -71.15 -24.28 24.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 75.33 111.09 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -87.9 2.49 51.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 70.13 110.883 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.5 mm100 -91.92 -44.25 9.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 74.31 110.917 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.507 HD12 ' H ' ' A' ' 36' ' ' ILE . 5.3 mp -74.45 -54.29 15.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 63.14 111.156 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -51.88 -30.19 22.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 75.21 110.884 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 13.4 mmmt -91.61 -26.07 18.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 75.34 110.91 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 53.3 t90 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.467 . . . . 75.24 110.934 179.937 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -129.06 -45.44 0.18 Allowed Glycine 0 N--CA 1.452 -0.257 0 CA-C-N 115.126 -0.943 . . . . 71.1 112.488 178.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -103.44 -25.47 13.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.784 0.326 . . . . 64.14 111.111 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.673 ' O ' HG23 ' A' ' 8' ' ' VAL . 43.5 mm -61.34 -41.62 90.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 73.11 111.09 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.64 -40.42 91.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 64.33 111.099 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 42.6 mmtt -57.42 -26.83 61.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 73.14 110.899 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.729 HD11 HD11 ' A' ' 27' ' ' ILE . 10.5 mt -95.76 -37.84 10.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 74.31 110.904 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.757 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 98.3 t -65.65 -30.41 50.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 55.5 111.138 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.0 -28.33 23.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 64.2 111.117 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 44.9 mmtm -105.65 -40.74 5.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.274 -0.421 . . . . 73.24 110.895 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.639 ' CE1' HD23 ' A' ' 40' ' ' LEU . 24.3 m-85 -76.69 -73.1 0.3 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 71.11 110.906 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.431 ' O ' HG22 ' A' ' 16' ' ' ILE . . . 117.53 176.2 17.29 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.73 -0.748 . . . . 54.31 112.536 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.757 ' CZ3' HG11 ' A' ' 8' ' ' VAL . 5.8 m95 -68.23 -52.38 22.31 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.577 0.703 . . . . 74.34 110.924 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.64 ' HD2' ' N ' ' A' ' 13' ' ' TRP . 54.0 Cg_endo -69.79 -8.65 24.13 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.727 2.284 . . . . 74.13 112.385 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.401 ' HE1' HD21 ' A' ' 40' ' ' LEU . 3.5 t80 -102.86 -37.21 7.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 73.31 110.89 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.515 HG13 HD13 ' A' ' 23' ' ' ILE . 18.5 tt -77.58 -29.9 16.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 75.04 111.106 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -69.01 -20.79 64.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 62.44 110.85 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.4 mmtp -66.18 -32.35 73.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 73.12 110.913 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -143.52 42.75 1.49 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 74.3 110.882 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 73.5 t80 -61.42 -26.46 67.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.14 -0.482 . . . . 61.43 110.906 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 35.5 tptt -69.79 -30.85 68.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 65.13 110.917 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -92.05 -45.54 8.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 73.21 110.946 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.515 HD13 HG13 ' A' ' 16' ' ' ILE . 41.3 mt -61.01 -57.34 12.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 71.44 111.106 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 3.2 ttt -56.79 -25.98 56.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 71.34 110.887 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.3 mm100 -70.42 -44.22 68.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 64.53 110.884 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -52.96 -51.31 61.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 64.22 110.85 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.729 HD11 HD11 ' A' ' 7' ' ' LEU . 51.0 mm -54.26 -48.65 66.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 73.33 111.161 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.81 -19.95 63.69 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.766 -0.73 . . . . 52.35 112.485 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 55.0 tp60 -84.0 -28.77 27.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.884 0.373 . . . . 75.02 110.93 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 110.9 21.46 6.71 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.8 -0.714 . . . . 75.25 112.523 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 9.2 m0 -76.21 136.46 39.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.851 0.358 . . . . 75.01 110.971 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.444 ' O ' HD12 ' A' ' 36' ' ' ILE . 31.0 p -61.1 165.11 4.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.277 -0.419 . . . . 73.45 111.165 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 66.3 mt -65.22 -25.19 36.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 65.35 111.13 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -83.77 -26.58 29.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 75.23 110.846 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.7 mm-40 -58.74 -46.49 87.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 63.45 110.926 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.504 HG21 HD13 ' A' ' 7' ' ' LEU . 5.4 mp -75.99 -52.31 18.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 71.2 111.137 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -52.04 -31.22 29.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.475 . . . . 75.04 110.864 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 57.2 mttt -89.3 -38.83 13.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.147 -0.479 . . . . 75.11 110.896 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 78.9 t90 -59.39 -36.45 75.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.439 . . . . 72.1 110.916 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.639 HD23 ' CE1' ' A' ' 11' ' ' PHE . 28.3 tp -96.55 -59.31 1.85 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 65.24 110.922 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.3 tptm 52.02 40.91 29.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 71.11 110.879 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 30.1 ttt180 59.21 53.52 5.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 70.42 110.881 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 7.9 t-80 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 71.13 110.857 179.992 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 104.56 55.0 0.76 Allowed Glycine 0 N--CA 1.451 -0.308 0 CA-C-N 115.192 -0.913 . . . . 64.14 112.461 178.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.638 ' HB3' HD12 ' A' ' 27' ' ' ILE . . . 55.73 32.1 18.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.837 0.351 . . . . 74.34 111.133 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.565 HG22 HG23 ' A' ' 8' ' ' VAL . 46.3 mm -101.42 -24.98 3.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 54.51 111.077 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.67 -27.88 69.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 71.14 111.098 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 19.8 mmmt -79.81 -34.43 39.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 53.02 110.877 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.498 HD22 ' HB ' ' A' ' 36' ' ' ILE . 9.6 mt -78.78 -43.75 24.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.264 -0.425 . . . . 65.14 110.888 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.664 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 89.8 t -66.25 -25.82 36.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 71.3 111.112 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.23 -22.22 51.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 62.24 111.071 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -115.24 -28.9 6.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 72.32 110.916 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -86.05 -62.28 1.56 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 72.34 110.873 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 114.2 172.78 17.94 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.766 -0.73 . . . . 75.12 112.473 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.664 ' CZ3' HG11 ' A' ' 8' ' ' VAL . 5.8 m95 -67.71 -52.39 26.18 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.552 0.691 . . . . 75.5 110.92 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.635 ' HD2' ' N ' ' A' ' 13' ' ' TRP . 54.1 Cg_endo -69.74 -8.76 24.43 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.655 2.236 . . . . 73.31 112.379 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -101.81 -37.64 8.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 75.22 110.923 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.592 HD11 HG21 ' A' ' 23' ' ' ILE . 1.0 OUTLIER -75.34 -29.84 21.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.147 -0.479 . . . . 75.23 111.173 179.936 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -76.24 -18.18 59.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 63.44 110.932 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 41.6 mmtt -74.62 -24.74 58.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 72.0 110.896 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.449 ' C ' HD12 ' A' ' 23' ' ' ILE . 50.1 m-85 -140.11 30.99 1.98 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 71.31 110.864 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -60.19 -38.94 84.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 75.22 110.95 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 47.7 mmtm -55.14 -36.15 65.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.057 -0.52 . . . . 63.01 110.886 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -87.61 -41.44 13.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 60.43 110.887 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.592 HG21 HD11 ' A' ' 16' ' ' ILE . 12.5 mt -60.03 -61.07 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 71.22 111.136 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 8.2 ptm -55.36 -26.88 43.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 72.5 110.872 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.1 mm100 -68.11 -30.61 69.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 75.44 110.912 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -71.34 -39.49 71.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 73.11 110.854 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.638 HD12 ' HB3' ' A' ' 3' ' ' ALA . 47.2 mm -57.41 -53.15 47.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 74.14 111.129 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.33 -19.43 46.81 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.759 -0.734 . . . . 52.25 112.509 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -85.27 -28.6 25.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.903 0.382 . . . . 41.42 110.96 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 104.97 28.41 5.6 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.753 -0.737 . . . . 61.02 112.5 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 7.5 m0 -79.84 137.32 36.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.819 0.342 . . . . 72.14 110.903 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.462 ' O ' HD12 ' A' ' 36' ' ' ILE . 22.5 p -64.53 168.48 5.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 73.55 111.116 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.48 ' H ' HD12 ' A' ' 33' ' ' ILE . 4.1 mp -67.13 -26.67 37.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 75.24 111.116 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 62.5 m-20 -82.05 -25.98 34.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 73.32 110.905 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -58.4 -47.54 83.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 61.44 110.95 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.502 HD12 ' H ' ' A' ' 36' ' ' ILE . 5.3 mp -72.54 -51.81 26.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 72.32 111.115 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -51.98 -30.84 26.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 73.33 110.901 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 27.2 tptp -93.14 -25.67 17.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 63.25 110.921 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 57.9 t90 -68.46 -37.71 80.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 75.02 110.924 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.56 -51.0 71.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 74.42 110.91 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.2 mmmp? -87.87 51.13 2.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 74.21 110.907 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -132.47 -43.2 0.93 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.247 -0.433 . . . . 73.31 110.895 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 27.8 t60 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 54.24 110.883 179.959 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -171.39 36.8 0.17 Allowed Glycine 0 N--CA 1.452 -0.256 0 CA-C-N 115.139 -0.937 . . . . 63.41 112.469 178.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.417 ' HB3' HD12 ' A' ' 27' ' ' ILE . . . 51.92 32.45 9.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.748 0.309 . . . . 33.14 111.091 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.579 HG22 HG23 ' A' ' 8' ' ' VAL . 34.2 mm -94.05 -25.15 4.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 74.21 111.107 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.459 ' O ' ' HB2' ' A' ' 9' ' ' ALA . . . -64.1 -31.4 72.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 32.24 111.091 179.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -69.6 -36.81 76.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 75.33 110.894 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.549 HD13 HG21 ' A' ' 36' ' ' ILE . 8.0 mt -81.02 -47.59 13.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 65.24 110.942 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.695 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 90.9 t -63.6 -26.72 41.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 73.22 111.149 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.459 ' HB2' ' O ' ' A' ' 5' ' ' ALA . . . -56.92 -23.82 47.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 52.52 111.089 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.3 mtmm -113.82 -30.93 6.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 63.11 110.853 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.539 ' CE1' HD23 ' A' ' 40' ' ' LEU . 25.3 m-85 -83.61 -63.49 1.34 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 72.23 110.845 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 113.71 173.7 18.54 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.715 -0.755 . . . . 72.11 112.465 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.695 ' CZ3' HG11 ' A' ' 8' ' ' VAL . 5.8 m95 -67.93 -52.47 24.19 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.559 0.695 . . . . 62.0 110.952 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.635 ' HD2' ' N ' ' A' ' 13' ' ' TRP . 54.3 Cg_endo -69.68 -8.71 24.29 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.707 2.271 . . . . 62.12 112.339 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.494 ' HE1' HD21 ' A' ' 40' ' ' LEU . 4.2 t80 -102.52 -38.3 7.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.436 . . . . 73.04 110.851 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.553 HD11 HG21 ' A' ' 23' ' ' ILE . 1.0 OUTLIER -75.67 -30.02 21.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.461 . . . . 60.23 111.144 179.931 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -72.76 -19.57 61.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 71.05 110.903 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.36 -32.09 73.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 75.41 110.899 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -144.26 39.98 1.33 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 74.42 110.858 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -61.46 -41.45 97.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 75.11 110.903 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 20.5 ttpp -57.22 -25.66 59.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.115 -0.493 . . . . 73.44 110.916 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -93.67 -36.57 12.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.451 . . . . 63.42 110.933 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.553 HG21 HD11 ' A' ' 16' ' ' ILE . 7.5 mt -70.15 -59.84 3.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 61.35 111.138 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -55.57 -26.06 41.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 63.52 110.896 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -69.62 -26.18 64.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.431 . . . . 63.02 110.865 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -73.94 -41.39 62.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 74.2 110.885 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.417 HD12 ' HB3' ' A' ' 3' ' ' ALA . 51.6 mm -57.1 -50.24 77.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 74.23 111.126 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.32 -19.55 59.87 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.748 -0.739 . . . . 73.13 112.493 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -82.96 -27.54 30.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.824 0.345 . . . . 72.51 110.928 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 109.85 19.84 7.96 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.74 -0.743 . . . . 71.23 112.517 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 6.9 m0 -76.6 138.45 40.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.886 0.374 . . . . 64.31 110.906 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 23.1 p -65.98 -179.79 0.79 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.244 -0.435 . . . . 73.43 111.155 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.457 ' H ' HD12 ' A' ' 33' ' ' ILE . 5.1 mp -73.81 -42.96 53.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 64.43 111.149 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -67.19 -26.24 66.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 73.32 110.844 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -54.72 -51.77 64.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 74.41 110.914 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.549 HG21 HD13 ' A' ' 7' ' ' LEU . 5.3 mp -73.42 -49.76 34.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 70.53 111.11 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -52.11 -30.05 24.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 71.02 110.887 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.3 tppt? -95.18 -27.87 15.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 74.24 110.885 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 64.7 t90 -69.62 -34.75 74.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.248 -0.433 . . . . 74.52 110.921 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.539 HD23 ' CE1' ' A' ' 11' ' ' PHE . 19.2 tp -94.95 -37.97 10.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.267 -0.424 . . . . 71.22 110.899 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 51.69 30.48 6.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 70.24 110.893 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 53.8 mtm180 57.14 46.55 18.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 71.24 110.852 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 86.8 t60 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 71.11 110.842 179.965 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 144.66 -24.1 1.98 Allowed Glycine 0 N--CA 1.451 -0.338 0 CA-C-N 115.188 -0.914 . . . . 72.01 112.472 178.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -107.46 41.1 1.56 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.756 0.312 . . . . 64.33 111.076 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.577 ' O ' HG23 ' A' ' 8' ' ' VAL . 25.0 mm -105.04 -48.83 9.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 74.33 111.138 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.37 -25.24 64.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 53.52 111.106 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.726 ' HD3' HD11 ' A' ' 33' ' ' ILE . 25.1 mttt -60.31 -46.67 89.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 70.3 110.937 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.86 HD13 HG21 ' A' ' 36' ' ' ILE . 9.1 mt -87.17 -35.11 18.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 73.11 110.941 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.66 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 86.5 t -67.07 -26.01 35.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 74.42 111.103 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.36 -21.66 50.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 73.41 111.07 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 33.6 mttm -116.06 -28.15 6.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 63.25 110.892 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.732 ' CZ ' HD23 ' A' ' 40' ' ' LEU . 22.1 m-85 -87.01 -61.81 1.64 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 74.1 110.887 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 114.08 172.97 18.09 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.762 -0.732 . . . . 72.34 112.52 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.66 ' CZ3' HG11 ' A' ' 8' ' ' VAL . 5.5 m95 -68.1 -52.61 22.39 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.51 0.672 . . . . 55.02 110.899 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.634 ' HD2' ' N ' ' A' ' 13' ' ' TRP . 54.0 Cg_endo -69.75 -10.12 27.79 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.687 2.258 . . . . 62.13 112.356 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -99.7 -45.39 5.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.432 . . . . 74.42 110.841 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.604 HD11 HG21 ' A' ' 23' ' ' ILE . 1.0 OUTLIER -65.28 -29.66 47.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 64.34 111.136 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.1 ptmm? -75.25 -18.23 60.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 71.31 110.892 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.8 ttmm -71.8 -25.8 62.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 73.33 110.896 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -144.03 35.11 1.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.434 . . . . 52.21 110.868 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -65.34 -30.88 71.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 73.3 110.914 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 34.4 tttp -54.88 -41.96 71.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 71.44 110.933 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 21.7 mm100 -84.11 -46.05 12.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 72.35 110.878 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.604 HG21 HD11 ' A' ' 16' ' ' ILE . 21.7 mt -51.97 -63.57 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 65.23 111.122 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.68 ' HA ' HD12 ' A' ' 27' ' ' ILE . 3.8 ptm -54.43 -28.02 41.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 61.52 110.867 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -76.08 -29.72 58.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.28 -0.418 . . . . 74.53 110.925 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -74.67 -31.48 61.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 71.11 110.899 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.68 HD12 ' HA ' ' A' ' 24' ' ' MET . 57.1 mt -60.79 -51.72 69.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 62.32 111.137 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -61.49 -19.56 57.96 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.747 -0.739 . . . . 52.44 112.51 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 45.6 tp60 -80.46 -26.59 38.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.838 0.351 . . . . 53.34 110.916 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 106.56 26.77 5.76 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.776 -0.726 . . . . 75.11 112.522 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 16.3 m0 -81.64 133.97 35.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.778 0.323 . . . . 74.14 110.971 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.475 ' O ' HD12 ' A' ' 36' ' ' ILE . 43.6 p -75.51 174.19 9.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.289 -0.414 . . . . 63.01 111.152 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.726 HD11 ' HD3' ' A' ' 6' ' ' LYS . 58.1 mt -59.61 -34.65 55.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 62.31 111.093 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -71.28 -38.16 71.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 74.32 110.882 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.18 -54.28 32.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.436 . . . . 65.22 110.913 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.86 HG21 HD13 ' A' ' 7' ' ' LEU . 5.3 mp -73.06 -47.64 47.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 73.23 111.14 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -52.98 -28.81 25.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.475 . . . . 72.01 110.906 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.6 mmmm -98.01 -25.27 15.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 63.4 110.902 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 47.0 t90 -74.15 -34.33 63.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 72.13 110.897 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.732 HD23 ' CZ ' ' A' ' 11' ' ' PHE . 21.9 tp -86.95 -44.17 11.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 71.13 110.95 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.38 -30.22 27.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 61.1 110.894 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 26.9 ttt180 -95.7 -26.57 15.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.43 . . . . 73.24 110.825 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 75.44 110.865 179.984 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -173.17 -48.54 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 CA-C-N 115.193 -0.912 . . . . 62.22 112.486 178.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.636 ' HB3' HD12 ' A' ' 27' ' ' ILE . . . -123.85 33.21 5.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.736 0.303 . . . . 73.44 111.09 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.669 ' O ' HG23 ' A' ' 8' ' ' VAL . 33.0 mm -73.64 -42.23 55.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.244 -0.435 . . . . 71.33 111.131 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.4 -33.83 73.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 74.05 111.142 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -57.91 -27.32 63.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 71.31 110.906 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.654 HD13 HG21 ' A' ' 36' ' ' ILE . 9.1 mt -103.01 -34.05 9.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 72.01 110.947 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.762 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 89.5 t -68.71 -28.78 41.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 73.2 111.14 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.92 -25.7 31.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 71.33 111.092 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.9 mptt -110.17 -37.37 5.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 74.41 110.891 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.759 ' CE1' HD23 ' A' ' 40' ' ' LEU . 23.6 m-85 -78.77 -69.04 0.59 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 72.32 110.901 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.437 ' O ' HG22 ' A' ' 16' ' ' ILE . . . 114.03 175.3 18.91 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.752 -0.737 . . . . 75.12 112.49 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.762 ' CZ3' HG11 ' A' ' 8' ' ' VAL . 5.8 m95 -68.15 -52.41 22.81 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.616 0.722 . . . . 74.3 110.937 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.619 ' HD2' ' N ' ' A' ' 13' ' ' TRP . 53.4 Cg_endo -69.76 -8.55 23.89 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.709 2.272 . . . . 61.33 112.328 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.466 ' HE1' HD21 ' A' ' 40' ' ' LEU . 2.3 t80 -103.01 -36.9 8.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 75.14 110.9 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.788 HG13 HD13 ' A' ' 23' ' ' ILE . 17.7 tt -78.04 -29.79 15.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 75.04 111.107 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 13.1 pttp -69.28 -20.6 63.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 74.13 110.891 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 50.2 mmtt -64.64 -34.06 77.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 71.14 110.858 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.483 ' C ' HD12 ' A' ' 23' ' ' ILE . 83.3 m-85 -143.08 41.53 1.52 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 75.31 110.877 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 29.9 t80 -61.66 -31.87 72.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 74.04 110.931 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 67.5 mmtt -63.05 -25.75 68.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.487 . . . . 61.23 110.935 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.5 tp-100 -101.04 -33.82 10.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 62.43 110.912 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.788 HD13 HG13 ' A' ' 16' ' ' ILE . 11.9 mt -66.9 -59.32 3.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.436 . . . . 61.02 111.1 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 11.3 ptm -52.45 -29.73 26.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 74.43 110.831 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 20.0 mm-40 -63.13 -46.18 88.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 73.11 110.948 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -52.15 -50.59 61.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 75.11 110.885 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.636 HD12 ' HB3' ' A' ' 3' ' ' ALA . 50.8 mm -51.72 -50.64 30.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 73.21 111.141 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -69.45 -19.2 74.27 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.74 -0.743 . . . . 74.42 112.493 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -78.91 -34.64 44.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.829 0.347 . . . . 74.2 110.941 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 113.25 22.16 5.64 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.711 -0.757 . . . . 41.23 112.438 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 13.6 m0 -81.44 135.66 35.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.833 0.349 . . . . 72.45 110.946 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.478 ' O ' HD12 ' A' ' 36' ' ' ILE . 60.4 p -63.01 171.24 2.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 75.13 111.134 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.472 ' H ' HD12 ' A' ' 33' ' ' ILE . 4.4 mp -66.62 -28.57 43.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 52.11 111.147 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -81.94 -24.36 35.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 73.15 110.86 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.4 mm100 -61.44 -50.25 73.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 63.02 110.9 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.654 HG21 HD13 ' A' ' 7' ' ' LEU . 5.3 mp -74.18 -49.67 31.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 72.43 111.161 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -53.92 -27.67 32.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 72.33 110.905 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -96.94 -26.72 14.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 71.43 110.925 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 44.8 t90 -68.62 -32.36 72.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.448 . . . . 71.34 110.949 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.759 HD23 ' CE1' ' A' ' 11' ' ' PHE . 19.0 tp -90.76 -38.44 13.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 72.22 110.969 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 29.6 mtmt -64.96 -36.39 84.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 75.4 110.921 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.0 tmm_? -83.23 -52.87 6.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 65.21 110.844 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 61.6 t-80 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 72.14 110.843 -179.988 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 155.56 -54.21 0.42 Allowed Glycine 0 N--CA 1.451 -0.327 0 CA-C-N 115.178 -0.919 . . . . 63.02 112.534 178.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -113.97 28.8 8.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.715 0.293 . . . . 61.03 111.072 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 1.005 HD11 HD11 ' A' ' 27' ' ' ILE . 42.6 mm -109.7 -28.4 2.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 70.13 111.106 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.75 -24.75 67.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 71.31 111.103 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.41 -29.87 25.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 72.42 110.897 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.491 HD22 ' HB ' ' A' ' 36' ' ' ILE . 8.3 mt -80.75 -45.8 16.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 62.45 110.936 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.712 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 90.4 t -64.62 -24.11 34.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 63.44 111.128 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.51 -23.82 42.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 72.33 111.121 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 56.4 mmtt -115.36 -37.5 4.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 74.21 110.888 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.62 ' CE1' HD23 ' A' ' 40' ' ' LEU . 23.8 m-85 -75.21 -67.99 0.6 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.277 -0.42 . . . . 74.21 110.879 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 113.15 175.47 19.32 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.77 -0.729 . . . . 72.51 112.46 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.712 ' CZ3' HG11 ' A' ' 8' ' ' VAL . 5.6 m95 -68.2 -52.56 21.88 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.553 0.692 . . . . 73.34 110.95 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.632 ' HD2' ' N ' ' A' ' 13' ' ' TRP . 53.5 Cg_endo -69.82 -8.62 24.07 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.657 2.238 . . . . 64.52 112.299 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.604 ' HE1' HD21 ' A' ' 40' ' ' LEU . 2.2 t80 -102.51 -38.31 7.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.435 . . . . 75.54 110.861 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.7 HD13 HG22 ' A' ' 8' ' ' VAL . 1.3 tt -75.7 -29.87 20.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 74.21 111.173 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.8 pttp -69.85 -20.32 63.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.144 -0.48 . . . . 62.2 110.911 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.5 tmtm? -72.24 -23.82 61.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 73.11 110.924 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.463 ' O ' HD12 ' A' ' 23' ' ' ILE . 62.7 m-85 -145.18 39.82 1.21 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 73.44 110.905 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -67.51 -25.82 66.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.081 -0.509 . . . . 75.25 110.878 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.5 tptm -72.94 -25.26 60.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 65.11 110.908 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 17.8 tp60 -94.67 -48.92 5.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 73.22 110.911 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.49 HD13 HG13 ' A' ' 16' ' ' ILE . 10.0 mt -57.13 -60.16 2.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 61.32 111.124 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.8 tpt -55.47 -25.74 38.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 75.2 110.873 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -72.08 -37.69 69.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 74.21 110.949 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -59.08 -32.65 69.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 44.51 110.913 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 1.005 HD11 HD11 ' A' ' 4' ' ' ILE . 58.0 mt -51.59 -69.61 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 74.32 111.078 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -53.48 -37.9 56.85 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.686 -0.768 . . . . 62.43 112.517 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -53.91 -28.51 37.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.846 0.355 . . . . 62.04 110.927 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 103.63 22.14 9.23 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.683 -0.77 . . . . 30.43 112.487 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 9.2 m0 -82.46 136.64 34.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.824 0.345 . . . . 73.0 110.933 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.455 ' O ' HD12 ' A' ' 36' ' ' ILE . 32.1 p -67.7 174.72 3.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 70.44 111.166 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.5 ' H ' HD12 ' A' ' 33' ' ' ILE . 4.5 mp -69.13 -29.36 42.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 75.43 111.117 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -80.03 -25.9 40.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 75.41 110.835 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 32.7 mm-40 -56.82 -46.11 81.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 73.22 110.936 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.491 ' HB ' HD22 ' A' ' 7' ' ' LEU . 5.3 mp -73.67 -53.76 17.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 72.34 111.162 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -52.0 -30.06 23.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 75.33 110.945 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 69.0 mttt -91.34 -31.97 15.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.494 . . . . 73.12 110.867 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 73.7 t90 -64.8 -38.22 90.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.226 -0.443 . . . . 64.13 110.937 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.62 HD23 ' CE1' ' A' ' 11' ' ' PHE . 19.6 tp -95.03 -39.58 10.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 75.23 110.92 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 22.3 mtpt 51.81 29.96 6.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 72.14 110.9 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.4 ttm180 54.32 47.35 23.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 73.43 110.89 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 63.4 110.893 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -129.39 19.38 5.38 Favored Glycine 0 N--CA 1.452 -0.286 0 CA-C-N 115.174 -0.921 . . . . 73.25 112.499 178.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -132.24 44.71 2.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.802 0.334 . . . . 70.15 111.113 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.687 ' O ' HG23 ' A' ' 8' ' ' VAL . 25.4 mm -110.9 -39.38 3.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 71.14 111.161 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -54.86 -33.88 62.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.478 . . . . 43.25 111.092 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.0 mtmt -55.23 -47.4 75.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 70.11 110.882 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.693 HD11 HD11 ' A' ' 27' ' ' ILE . 9.5 mt -79.53 -30.58 41.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 65.32 110.898 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.756 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 61.7 t -68.81 -26.67 33.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 62.0 111.152 179.808 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.42 -24.11 42.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 74.35 111.059 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 32.6 mttt -112.31 -39.23 4.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.275 -0.42 . . . . 64.21 110.867 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -76.96 -71.81 0.38 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 63.32 110.927 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.415 ' O ' HG22 ' A' ' 16' ' ' ILE . . . 116.85 176.82 17.84 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.738 -0.744 . . . . 64.45 112.461 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.756 ' CZ3' HG11 ' A' ' 8' ' ' VAL . 5.7 m95 -68.64 -52.55 18.67 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.545 0.688 . . . . 71.13 110.9 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.622 ' HD2' ' N ' ' A' ' 13' ' ' TRP . 54.1 Cg_endo -69.84 -8.61 24.03 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.664 2.243 . . . . 43.43 112.334 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -102.57 -40.54 6.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 74.5 110.885 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.518 HD13 HG22 ' A' ' 8' ' ' VAL . 3.5 tt -72.56 -22.05 20.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.151 -0.477 . . . . 61.43 111.131 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.411 ' HG2' ' HA ' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -77.82 -9.17 58.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 70.41 110.843 179.904 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 22.0 mtpp -90.93 -25.72 19.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 75.14 110.906 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -133.09 27.08 4.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 75.24 110.862 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.463 ' OH ' HG21 ' A' ' 4' ' ' ILE . 0.1 OUTLIER -65.78 -25.46 67.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.129 -0.487 . . . . 74.44 110.925 -179.865 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 33.4 ttmt -65.11 -32.83 74.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.079 -0.51 . . . . 74.34 110.921 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -95.78 -47.74 6.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 73.13 110.886 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.44 HD13 HG13 ' A' ' 16' ' ' ILE . 25.1 mt -51.63 -57.15 3.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.447 . . . . 64.03 111.182 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 34.4 ttp -56.5 -25.18 50.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 75.44 110.814 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -82.4 -28.11 31.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 63.12 110.942 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -73.93 -40.88 62.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 75.5 110.877 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.693 HD11 HD11 ' A' ' 7' ' ' LEU . 50.3 mm -59.16 -57.54 10.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 70.33 111.132 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -64.21 -19.22 63.75 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.741 -0.742 . . . . 41.42 112.472 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -74.45 -25.81 59.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.824 0.345 . . . . 62.22 110.914 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 106.64 22.27 7.8 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.703 -0.76 . . . . 74.14 112.493 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 6.1 m0 -84.43 138.32 32.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.831 0.348 . . . . 73.22 110.952 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.44 ' O ' HD12 ' A' ' 36' ' ' ILE . 21.2 p -61.35 174.98 0.62 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 63.21 111.165 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.52 ' H ' HD12 ' A' ' 33' ' ' ILE . 4.8 mp -71.78 -37.14 61.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 63.41 111.133 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -73.24 -25.79 60.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.445 . . . . 64.31 110.843 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 12.2 mm-40 -56.0 -50.9 69.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.443 . . . . 73.1 110.945 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.642 HG21 HD13 ' A' ' 7' ' ' LEU . 5.2 mp -72.58 -50.02 37.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 71.03 111.135 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -52.05 -30.29 25.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 72.55 110.873 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -95.03 -25.96 16.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 61.23 110.903 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 69.0 t90 -72.45 -38.46 68.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 73.53 110.925 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.46 -50.36 71.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 74.41 110.901 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 41.4 mtmt -90.85 48.38 1.52 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 74.42 110.894 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.56 -41.14 1.21 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 71.32 110.903 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 64.04 110.86 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -112.54 42.52 1.94 Allowed Glycine 0 N--CA 1.451 -0.3 0 CA-C-N 115.138 -0.937 . . . . 34.1 112.481 178.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.655 ' HB3' HD12 ' A' ' 27' ' ' ILE . . . 52.75 34.52 16.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.78 0.324 . . . . 53.13 111.099 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.439 ' O ' HG23 ' A' ' 8' ' ' VAL . 46.2 mm -99.52 -35.2 4.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 75.51 111.077 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.93 -45.19 82.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 63.2 111.08 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 30.7 mmtt -58.95 -29.31 67.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 72.01 110.907 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.664 HD13 HG21 ' A' ' 36' ' ' ILE . 7.9 mt -84.58 -43.78 14.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 50.13 110.913 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.673 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 68.0 t -67.52 -25.0 32.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 62.54 111.119 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.82 -25.39 28.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 70.15 111.13 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 25.8 mmtm -113.37 -41.64 3.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 73.32 110.882 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -71.82 -72.93 0.2 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 61.14 110.87 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 125.49 174.65 13.98 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.741 -0.742 . . . . 64.12 112.478 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.673 ' CZ3' HG11 ' A' ' 8' ' ' VAL . 5.0 m95 -67.89 -52.72 23.42 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.531 0.682 . . . . 64.43 110.949 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.632 ' HD2' ' N ' ' A' ' 13' ' ' TRP . 53.8 Cg_endo -69.73 -8.58 23.98 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.661 2.24 . . . . 72.41 112.366 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -102.89 -35.57 8.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 73.34 110.874 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.481 ' CD1' HD13 ' A' ' 23' ' ' ILE . 1.2 tp -79.08 -29.6 13.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 72.23 111.108 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 13.2 ptmm? -72.94 -19.44 61.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 72.13 110.883 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 43.6 tttp -75.93 -25.82 56.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 74.23 110.913 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.426 ' O ' HD12 ' A' ' 23' ' ' ILE . 39.3 m-85 -132.34 27.58 4.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 64.21 110.886 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 54.6 t80 -62.73 -27.0 68.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 72.53 110.931 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.1 tptm -68.58 -32.67 72.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 71.23 110.927 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 -89.3 -49.14 6.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 73.24 110.876 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.481 HD13 ' CD1' ' A' ' 16' ' ' ILE . 8.9 mt -55.51 -59.41 2.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.445 . . . . 72.15 111.144 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 1.9 ttt -56.08 -25.56 45.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 65.45 110.852 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -76.24 -25.74 55.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 74.33 110.894 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -76.94 -35.45 57.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 63.44 110.922 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.655 HD12 ' HB3' ' A' ' 3' ' ' ALA . 44.4 mm -58.78 -45.27 91.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.493 . . . . 71.23 111.144 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -69.14 -19.44 73.97 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.733 -0.746 . . . . 12.35 112.493 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -81.15 -28.73 34.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.85 0.357 . . . . 54.32 110.915 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 110.93 22.16 6.39 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.72 -0.752 . . . . 63.53 112.436 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 12.5 m0 -76.88 135.08 38.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.844 0.354 . . . . 71.42 110.891 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.454 ' O ' HD12 ' A' ' 36' ' ' ILE . 15.5 p -68.79 171.89 7.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.269 -0.423 . . . . 74.11 111.097 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 55.8 mt -66.18 -25.29 35.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 73.25 111.061 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -83.36 -26.25 30.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 65.44 110.876 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 11.6 mm-40 -58.97 -47.34 85.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 74.4 110.91 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.664 HG21 HD13 ' A' ' 7' ' ' LEU . 5.3 mp -73.33 -53.72 17.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 73.35 111.187 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -51.96 -30.12 23.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 74.42 110.903 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.6 ttmm -92.59 -25.68 18.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.104 -0.498 . . . . 72.55 110.89 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 62.2 t90 -67.46 -39.56 85.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 73.12 110.895 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -52.64 -50.51 63.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.431 . . . . 72.3 110.915 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 23.8 mtpp -56.06 -26.84 50.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 73.51 110.882 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.42 -43.79 22.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 71.15 110.869 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 43.6 t-80 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 61.31 110.842 179.966 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 165.71 -39.91 0.27 Allowed Glycine 0 N--CA 1.451 -0.306 0 CA-C-N 115.151 -0.931 . . . . 73.52 112.469 178.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -83.06 -33.83 26.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.731 0.301 . . . . 71.43 111.105 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 48.3 mm -51.8 -43.08 33.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 75.3 111.115 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.4 -33.02 65.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 63.21 111.106 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.6 mmmm -71.37 -28.62 64.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.266 -0.425 . . . . 75.02 110.93 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.757 HD13 HG21 ' A' ' 36' ' ' ILE . 6.4 mt -84.08 -46.13 12.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 74.11 110.884 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.698 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 48.8 t -67.3 -18.77 24.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 72.34 111.101 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.75 -24.32 34.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 71.34 111.117 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.86 -45.71 2.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 63.21 110.899 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.618 ' CZ ' HD23 ' A' ' 40' ' ' LEU . 21.9 m-85 -63.07 -72.67 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.26 -0.427 . . . . 55.03 110.893 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.402 ' O ' HG22 ' A' ' 16' ' ' ILE . . . 122.92 175.6 14.63 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.762 -0.732 . . . . 53.11 112.518 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.698 ' CZ3' HG11 ' A' ' 8' ' ' VAL . 4.7 m95 -68.2 -52.9 20.61 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 121.555 0.693 . . . . 75.34 110.942 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.63 ' HD2' ' N ' ' A' ' 13' ' ' TRP . 53.9 Cg_endo -69.73 -8.63 24.1 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.695 2.263 . . . . 65.34 112.342 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.416 ' CE1' HD21 ' A' ' 40' ' ' LEU . 5.6 t80 -102.03 -40.91 6.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 72.52 110.869 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.48 ' CD1' HD13 ' A' ' 23' ' ' ILE . 1.0 OUTLIER -72.08 -29.83 34.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 74.41 111.141 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 37.0 pttt -72.4 -19.67 61.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 74.21 110.914 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 31.2 mttp -70.86 -32.21 69.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 63.12 110.93 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -130.94 29.28 4.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 72.54 110.878 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.404 ' HA ' HD12 ' A' ' 23' ' ' ILE . 74.5 t80 -64.35 -29.69 70.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.103 -0.498 . . . . 74.35 110.962 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.63 -35.98 73.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.101 -0.499 . . . . 75.42 110.897 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 57.6 mt-30 -89.85 -45.39 9.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 64.31 110.915 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.48 HD13 ' CD1' ' A' ' 16' ' ' ILE . 15.0 mt -51.57 -64.06 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 73.55 111.192 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -54.98 -27.1 41.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 62.0 110.91 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 25.1 mm-40 -76.63 -28.54 56.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 72.24 110.946 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -74.24 -38.61 63.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 75.21 110.875 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 50.1 mm -56.98 -50.87 74.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 51.03 111.145 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -67.62 -19.41 71.04 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.788 -0.72 . . . . 72.34 112.469 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -78.25 -26.01 47.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.845 0.355 . . . . 70.12 110.917 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 110.73 19.47 7.78 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.748 -0.739 . . . . 50.14 112.45 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 11.1 m0 -78.49 135.64 37.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.85 0.357 . . . . 75.02 110.942 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 20.1 p -68.08 172.98 4.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 75.51 111.177 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.47 ' H ' HD12 ' A' ' 33' ' ' ILE . 4.5 mp -67.27 -27.03 37.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 64.24 111.116 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -82.11 -26.19 33.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.185 -0.461 . . . . 63.23 110.82 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -57.24 -44.38 83.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 71.24 110.901 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.757 HG21 HD13 ' A' ' 7' ' ' LEU . 5.4 mp -77.01 -54.02 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 73.44 111.168 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -51.83 -30.05 21.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.167 -0.47 . . . . 75.43 110.937 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 24.3 mtpp -91.41 -25.87 19.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 62.43 110.941 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 78.3 t90 -73.59 -47.18 42.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 61.33 110.925 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.618 HD23 ' CZ ' ' A' ' 11' ' ' PHE . 27.2 tp -73.42 -52.15 14.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 72.45 110.879 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 46.6 tttp -51.86 -31.51 28.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 73.42 110.896 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 26.9 mmm180 -96.21 41.97 1.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 72.41 110.845 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 21.6 t-80 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 73.25 110.897 179.952 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 106.29 -70.01 0.23 Allowed Glycine 0 N--CA 1.451 -0.314 0 CA-C-N 115.154 -0.93 . . . . 62.33 112.499 178.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.501 ' HB3' HD13 ' A' ' 27' ' ' ILE . . . -56.98 -23.98 49.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.752 0.31 . . . . 51.42 111.1 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.566 ' O ' HG23 ' A' ' 8' ' ' VAL . 40.2 mm -66.54 -55.26 19.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 71.34 111.151 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.406 ' O ' ' HB2' ' A' ' 9' ' ' ALA . . . -58.02 -27.22 63.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 35.31 111.141 179.792 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 29.8 mttp -61.9 -48.54 80.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 73.55 110.896 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 1.018 HD13 HG21 ' A' ' 36' ' ' ILE . 7.6 mt -82.4 -36.55 26.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.274 -0.421 . . . . 72.43 110.938 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.661 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 87.9 t -67.05 -26.6 37.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 61.21 111.107 179.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.406 ' HB2' ' O ' ' A' ' 5' ' ' ALA . . . -58.38 -21.63 50.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 54.42 111.097 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -116.08 -28.04 6.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 62.43 110.84 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -87.54 -62.13 1.57 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 75.52 110.861 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 114.35 173.37 18.1 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.698 -0.763 . . . . 73.45 112.506 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.661 ' CZ3' HG11 ' A' ' 8' ' ' VAL . 5.4 m95 -68.18 -52.64 21.73 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.603 0.716 . . . . 75.33 110.963 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.626 ' HD2' ' N ' ' A' ' 13' ' ' TRP . 53.6 Cg_endo -69.75 -8.59 23.99 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.661 2.241 . . . . 74.2 112.341 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -102.23 -39.8 7.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 75.14 110.871 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.57 HD11 HG21 ' A' ' 23' ' ' ILE . 0.9 OUTLIER -73.26 -30.33 30.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 75.52 111.159 179.93 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -72.04 -19.86 61.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.472 . . . . 70.3 110.881 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.92 -22.6 64.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 72.55 110.941 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -147.83 37.41 0.89 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 73.44 110.874 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 38.2 t80 -73.22 -8.47 55.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 73.31 110.903 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.3 tptm -77.21 -25.0 51.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 70.34 110.922 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -109.15 -36.58 6.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 73.04 110.934 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.57 HG21 HD11 ' A' ' 16' ' ' ILE . 39.1 mt -61.37 -57.31 12.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 62.4 111.122 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 3.3 ttp -58.46 -22.39 54.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 63.23 110.885 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 24.4 mm-40 -81.68 -44.55 16.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 71.01 110.874 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -51.92 -34.78 43.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 61.33 110.875 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.51 HD11 HD13 ' A' ' 4' ' ' ILE . 60.9 mt -55.75 -46.85 79.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.485 . . . . 74.22 111.105 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -74.88 -19.31 79.98 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.773 -0.727 . . . . 55.54 112.512 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -75.67 -25.99 57.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.865 0.364 . . . . 75.44 110.888 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 111.9 20.36 6.84 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.723 -0.751 . . . . 72.41 112.464 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 16.0 m0 -82.49 136.67 34.84 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.833 0.349 . . . . 72.35 110.899 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.478 ' O ' HD12 ' A' ' 36' ' ' ILE . 46.7 p -83.02 176.95 8.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.26 -0.427 . . . . 63.54 111.126 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.464 HG22 ' CD ' ' A' ' 37' ' ' GLU . 3.8 mp -61.18 -31.63 50.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 63.32 111.138 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -74.43 -34.28 63.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 55.52 110.867 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.08 -55.95 26.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 64.35 110.874 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 1.018 HG21 HD13 ' A' ' 7' ' ' LEU . 5.2 mp -69.96 -50.26 49.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 71.42 111.191 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.464 ' CD ' HG22 ' A' ' 33' ' ' ILE . 82.6 mt-10 -51.86 -36.91 50.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 72.12 110.899 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 39.5 tttp -86.64 -25.5 24.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 65.41 110.89 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 52.7 t90 -62.98 -36.51 83.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 52.3 110.935 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.34 -61.25 2.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 75.54 110.904 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -56.95 -26.17 59.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.256 -0.429 . . . . 71.45 110.903 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 38.3 mtp180 -77.92 -27.73 49.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 74.15 110.819 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 39.1 t60 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 72.35 110.91 -179.991 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 93.18 36.52 5.94 Favored Glycine 0 N--CA 1.451 -0.312 0 CA-C-N 115.135 -0.938 . . . . 71.41 112.486 178.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -121.18 -38.82 2.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.784 0.326 . . . . 55.24 111.083 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.527 HD11 HG13 ' A' ' 27' ' ' ILE . 50.2 mm -54.14 -27.24 16.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.431 . . . . 73.14 111.114 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.462 ' O ' ' HB2' ' A' ' 9' ' ' ALA . . . -65.87 -37.9 87.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 73.53 111.065 179.812 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 19.7 mmtp -70.52 -26.83 63.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 73.1 110.927 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.828 HD13 HG21 ' A' ' 36' ' ' ILE . 6.6 mt -84.86 -51.57 6.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 73.35 110.906 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.638 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 99.1 t -65.11 -23.77 33.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 61.41 111.117 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.462 ' HB2' ' O ' ' A' ' 5' ' ' ALA . . . -57.14 -23.46 47.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 71.41 111.099 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? -116.47 -33.02 5.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 71.31 110.92 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -78.83 -64.32 1.21 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 72.41 110.899 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 116.65 173.37 16.83 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.732 -0.747 . . . . 64.31 112.49 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.638 ' CZ3' HG11 ' A' ' 8' ' ' VAL . 5.9 m95 -67.99 -52.29 24.44 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.583 0.706 . . . . 75.3 110.904 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.633 ' HD2' ' N ' ' A' ' 13' ' ' TRP . 53.4 Cg_endo -69.82 -8.29 23.23 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.745 2.297 . . . . 71.33 112.314 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -103.3 -27.85 12.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 72.21 110.844 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.783 HD12 HD13 ' A' ' 23' ' ' ILE . 3.9 tp -88.01 -29.94 5.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 75.35 111.195 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 36.8 pttt -71.58 -20.12 62.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 64.25 110.904 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 28.0 mmtm -72.53 -25.99 61.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 75.2 110.902 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -140.38 36.7 1.87 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 64.23 110.889 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 64.7 t80 -69.23 -30.34 68.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 53.24 110.918 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.2 tppt? -69.95 -25.77 63.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 73.35 110.879 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 13.4 tp60 -94.47 -39.96 10.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 62.21 110.906 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.783 HD13 HD12 ' A' ' 16' ' ' ILE . 29.6 mt -69.49 -55.64 14.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 64.32 111.096 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -55.92 -25.31 42.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 73.43 110.898 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 22.2 mm-40 -71.16 -25.59 62.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 64.03 110.903 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -77.69 -40.43 41.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 55.22 110.915 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.527 HG13 HD11 ' A' ' 4' ' ' ILE . 50.5 mm -51.76 -46.68 39.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 71.44 111.112 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -75.13 -19.18 79.94 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.752 -0.737 . . . . 62.32 112.495 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -77.45 -30.13 53.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.843 0.354 . . . . 71.33 110.891 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 112.59 26.57 4.16 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.73 -0.748 . . . . 61.03 112.505 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 10.2 m0 -79.21 154.62 29.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.813 0.34 . . . . 73.34 110.907 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.458 ' O ' HD12 ' A' ' 36' ' ' ILE . 20.2 p -89.66 162.74 15.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.447 . . . . 65.45 111.146 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 65.4 mt -58.96 -25.04 28.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 73.02 111.138 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -82.91 -31.79 27.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 62.42 110.898 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -56.78 -46.87 81.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 73.53 110.888 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.828 HG21 HD13 ' A' ' 7' ' ' LEU . 5.3 mp -74.79 -52.44 19.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 63.02 111.158 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -51.79 -30.11 21.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 73.44 110.852 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.1 mmtt -90.47 -28.01 18.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 74.1 110.913 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 92.5 t90 -68.17 -45.41 73.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 74.13 110.915 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 15.8 tp -96.24 32.29 2.0 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 75.01 110.921 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.6 tppp? -95.45 -29.0 14.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 71.3 110.906 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 19.1 ttt-85 -141.6 63.18 1.44 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 72.14 110.852 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 49.7 p-80 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 74.33 110.831 179.999 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 153.84 -53.32 0.45 Allowed Glycine 0 N--CA 1.452 -0.296 0 CA-C-N 115.206 -0.907 . . . . 74.14 112.475 178.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -69.64 -32.14 70.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.787 0.327 . . . . 71.55 111.101 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.636 HG22 HG23 ' A' ' 8' ' ' VAL . 4.5 mp -65.1 -23.3 33.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 54.12 111.062 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.57 -44.4 62.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 70.21 111.102 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 19.0 mmtm -54.23 -32.75 56.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 52.21 110.919 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 1.034 HD13 HG21 ' A' ' 36' ' ' ILE . 6.3 mt -85.08 -37.67 20.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.451 . . . . 63.45 110.911 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.768 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 26.1 t -71.47 -14.71 17.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 35.32 111.163 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.7 -23.51 42.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 54.43 111.171 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -123.49 -48.26 1.95 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 73.11 110.89 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.724 ' CZ ' HD23 ' A' ' 40' ' ' LEU . 21.8 m-85 -58.67 -73.58 0.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 73.42 110.842 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.445 ' O ' HG22 ' A' ' 16' ' ' ILE . . . 121.29 174.97 14.98 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.743 -0.742 . . . . 65.11 112.44 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.768 ' CZ3' HG11 ' A' ' 8' ' ' VAL . 6.0 m95 -67.0 -52.4 31.56 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.615 0.722 . . . . 72.14 110.936 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.638 ' HD2' ' N ' ' A' ' 13' ' ' TRP . 54.3 Cg_endo -69.78 -8.51 23.79 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.655 2.237 . . . . 60.42 112.329 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -104.22 -28.81 11.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 61.33 110.855 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.566 HD11 HG21 ' A' ' 23' ' ' ILE . 1.0 OUTLIER -89.3 -29.62 5.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.152 -0.477 . . . . 53.43 111.181 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 42.5 pttt -67.23 -21.31 65.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 75.34 110.905 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 52.9 mttm -63.54 -28.52 70.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 65.55 110.861 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.437 ' C ' HD12 ' A' ' 23' ' ' ILE . 74.5 m-85 -142.63 32.47 1.45 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 73.31 110.882 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 76.3 t80 -63.66 -26.12 68.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.466 . . . . 64.43 110.974 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -66.11 -32.45 73.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.058 -0.519 . . . . 63.41 110.875 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -92.43 -44.44 8.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 70.25 110.873 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.566 HG21 HD11 ' A' ' 16' ' ' ILE . 11.8 mt -54.81 -62.13 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 73.13 111.18 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 4.8 tmm? -55.98 -25.25 43.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 73.15 110.889 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -74.14 -26.64 60.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 61.42 110.907 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -75.02 -35.71 61.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 62.41 110.863 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 44.5 mm -52.33 -43.57 40.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.478 . . . . 73.1 111.16 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -70.93 -19.44 77.0 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.71 -0.757 . . . . 72.12 112.484 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 58.6 tp60 -81.53 -28.33 34.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.822 0.344 . . . . 74.23 110.89 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 110.79 26.97 4.51 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.753 -0.737 . . . . 53.24 112.457 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 19.4 m0 -83.02 133.04 35.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.869 0.366 . . . . 71.53 110.895 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 19.2 p -78.14 177.21 8.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 70.43 111.147 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.52 ' H ' HD12 ' A' ' 33' ' ' ILE . 4.5 mp -60.85 -30.68 47.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 70.0 111.16 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -74.8 -35.68 62.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 61.15 110.873 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -53.84 -48.15 70.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 73.13 110.884 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 1.034 HG21 HD13 ' A' ' 7' ' ' LEU . 5.2 mp -79.01 -51.14 17.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 75.04 111.106 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -51.47 -30.65 20.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 75.44 110.866 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 55.9 mmtt -90.17 -42.07 11.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 64.51 110.882 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 64.3 t90 -59.72 -33.4 71.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.444 . . . . 70.1 110.923 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.724 HD23 ' CZ ' ' A' ' 11' ' ' PHE . 22.9 tp -82.39 -49.53 9.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 72.14 110.905 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 20.7 mtpt -53.35 -42.86 67.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 63.21 110.887 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 13.4 mmt180 -73.63 -28.8 61.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 63.03 110.884 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 26.8 t-80 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 75.03 110.835 179.973 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -149.75 -51.77 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 CA-C-N 115.188 -0.914 . . . . 61.14 112.49 178.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.562 ' HB3' HD12 ' A' ' 27' ' ' ILE . . . -132.31 42.69 3.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.753 0.311 . . . . 72.01 111.119 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.472 HG22 HG23 ' A' ' 8' ' ' VAL . 36.3 mm -114.86 -24.79 3.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 75.54 111.14 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.506 ' O ' ' HB2' ' A' ' 9' ' ' ALA . . . -66.71 -29.24 69.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 72.35 111.081 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 65.8 mmtt -77.68 -26.18 50.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 75.2 110.905 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.668 HD13 HG21 ' A' ' 36' ' ' ILE . 7.0 mt -88.02 -48.45 7.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.258 -0.428 . . . . 65.35 110.913 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.675 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 90.1 t -65.92 -27.96 42.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 75.43 111.148 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.506 ' HB2' ' O ' ' A' ' 5' ' ' ALA . . . -53.96 -26.95 28.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 74.14 111.074 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 55.0 mmtt -110.48 -36.65 5.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 72.43 110.937 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -77.21 -68.77 0.58 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 74.03 110.911 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 120.81 173.93 14.93 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.792 -0.718 . . . . 65.51 112.503 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.675 ' CZ3' HG11 ' A' ' 8' ' ' VAL . 5.9 m95 -67.74 -52.34 26.16 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-O 121.572 0.701 . . . . 70.13 110.932 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.634 ' HD2' ' N ' ' A' ' 13' ' ' TRP . 53.5 Cg_endo -69.78 -8.26 23.15 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.717 2.278 . . . . 65.52 112.342 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -105.12 -28.36 11.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 74.12 110.872 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.799 HD12 HD13 ' A' ' 23' ' ' ILE . 3.4 tp -86.45 -29.04 5.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 74.43 111.123 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 10.8 pttp -74.43 -19.13 60.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 73.32 110.878 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 36.3 tttm -76.81 -27.59 55.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.439 . . . . 61.5 110.902 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -132.13 29.94 4.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.261 -0.427 . . . . 74.3 110.88 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -66.03 -25.94 67.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.116 -0.493 . . . . 54.42 110.941 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.4 tttp -65.89 -32.17 73.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.494 . . . . 73.32 110.868 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 61.6 mt-30 -88.73 -54.7 4.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.436 . . . . 73.11 110.882 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.799 HD13 HD12 ' A' ' 16' ' ' ILE . 11.5 mt -51.63 -60.13 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 73.1 111.112 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 15.0 ttt -55.65 -25.67 40.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 61.52 110.862 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.6 mm100 -77.8 -33.89 52.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 74.04 110.905 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -71.5 -36.58 71.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 71.24 110.87 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.562 HD12 ' HB3' ' A' ' 3' ' ' ALA . 50.3 mm -56.19 -43.7 77.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 72.42 111.139 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -72.68 -19.71 79.31 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.783 -0.723 . . . . 73.12 112.486 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 34.0 tp60 -80.75 -26.37 37.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.874 0.369 . . . . 63.43 110.901 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 111.88 21.55 6.32 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.749 -0.739 . . . . 40.31 112.503 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 12.0 m0 -75.65 135.18 40.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.847 0.356 . . . . 73.51 110.94 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.404 ' O ' HD12 ' A' ' 36' ' ' ILE . 82.6 p -72.22 171.0 12.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 72.51 111.153 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.499 ' H ' HD12 ' A' ' 33' ' ' ILE . 4.2 mp -64.49 -25.65 38.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 74.43 111.141 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -80.11 -28.22 39.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 73.11 110.886 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 65.4 mm-40 -58.75 -50.73 72.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 55.25 110.923 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.668 HG21 HD13 ' A' ' 7' ' ' LEU . 5.3 mp -70.48 -51.82 34.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 53.01 111.098 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -51.78 -30.05 21.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.468 . . . . 75.34 110.899 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 18.5 tptp -91.59 -27.03 18.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 72.21 110.882 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 72.0 t90 -70.77 -45.36 64.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.218 -0.446 . . . . 73.11 110.895 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.0 tp -97.37 33.26 2.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 74.52 110.915 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 25.9 ttmt -92.65 -25.59 18.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 72.34 110.922 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 30.2 ttm180 -103.23 -58.92 1.79 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 75.42 110.886 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 3.7 t60 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 74.41 110.89 179.979 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 137.67 -35.08 2.09 Favored Glycine 0 N--CA 1.452 -0.295 0 CA-C-N 115.141 -0.936 . . . . 63.04 112.456 178.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -89.41 -26.38 21.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.798 0.332 . . . . 75.22 111.126 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.558 ' O ' HG23 ' A' ' 8' ' ' VAL . 43.1 mm -66.95 -26.33 36.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 64.34 111.151 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.6 -26.07 65.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 71.23 111.133 179.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 11.5 mmmt -79.79 -26.56 40.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 74.15 110.919 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.709 HD13 HG21 ' A' ' 36' ' ' ILE . 7.5 mt -90.53 -43.48 10.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.256 -0.429 . . . . 52.43 110.889 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.699 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 91.6 t -66.33 -30.29 49.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.201 -0.454 . . . . 75.42 111.138 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.99 -28.88 18.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 71.33 111.109 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -107.35 -39.7 5.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 73.23 110.884 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -75.81 -72.31 0.32 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 72.4 110.922 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 124.48 175.32 14.29 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.697 -0.763 . . . . 64.12 112.468 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.699 ' CZ3' HG11 ' A' ' 8' ' ' VAL . 5.4 m95 -68.38 -52.64 20.26 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.559 0.695 . . . . 62.02 110.918 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.624 ' HD2' ' N ' ' A' ' 13' ' ' TRP . 53.9 Cg_endo -69.72 -8.35 23.37 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.66 2.24 . . . . 74.25 112.395 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -105.4 -28.21 11.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 74.34 110.913 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.713 HG13 HD13 ' A' ' 23' ' ' ILE . 1.0 OUTLIER -87.79 -28.67 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 52.32 111.142 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.4 pttm -74.81 -18.68 60.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 72.05 110.862 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 32.2 mmtt -74.67 -26.93 60.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 74.44 110.93 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.591 ' C ' HD12 ' A' ' 23' ' ' ILE . 32.3 m-85 -130.02 25.5 5.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 74.2 110.866 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -58.22 -24.78 60.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.188 -0.46 . . . . 72.12 110.91 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -65.29 -40.6 94.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.087 -0.506 . . . . 74.13 110.876 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 38.2 mm-40 -85.84 -46.0 11.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 72.12 110.928 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.713 HD13 HG13 ' A' ' 16' ' ' ILE . 7.9 mt -51.79 -63.71 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 64.24 111.076 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 67.8 mmm -56.36 -24.88 47.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 62.24 110.904 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -79.77 -24.66 41.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 75.31 110.93 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -79.47 -35.91 39.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 75.51 110.868 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 51.0 mm -62.05 -49.94 82.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.134 -0.485 . . . . 64.22 111.14 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -67.61 -19.61 71.22 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.726 -0.749 . . . . 70.35 112.455 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 45.1 tp60 -78.82 -27.97 44.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.818 0.342 . . . . 55.23 110.853 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 112.5 20.15 6.7 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.7 -0.762 . . . . 33.4 112.477 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 14.8 m0 -77.6 134.34 38.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.835 0.35 . . . . 72.41 110.961 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.5 p -67.96 173.09 4.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 64.51 111.178 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.504 ' H ' HD12 ' A' ' 33' ' ' ILE . 4.3 mp -66.56 -25.21 34.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.289 -0.414 . . . . 70.34 111.134 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -82.97 -27.87 30.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.475 . . . . 62.15 110.89 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -56.01 -42.72 76.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 74.32 110.924 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.709 HG21 HD13 ' A' ' 7' ' ' LEU . 5.3 mp -80.3 -47.79 20.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 74.31 111.15 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -51.89 -29.99 22.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 73.51 110.822 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 25.6 tptp -91.79 -35.06 14.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 73.13 110.911 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 86.0 t90 -62.95 -36.71 84.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.2 -0.454 . . . . 61.12 110.915 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.1 tp -108.9 33.86 4.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.241 -0.436 . . . . 54.11 110.934 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 25.2 tttt -97.2 24.39 6.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 72.41 110.855 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.2 mpp_? 57.04 44.83 22.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 72.24 110.848 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 46.2 p-80 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 52.0 110.89 -179.982 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 132.4 -29.4 3.31 Favored Glycine 0 N--CA 1.45 -0.381 0 CA-C-N 115.182 -0.917 . . . . 61.33 112.519 178.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.402 ' HB1' ' CD1' ' A' ' 33' ' ' ILE . . . -104.11 37.75 2.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.74 0.305 . . . . 40.1 111.081 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.587 ' O ' HG23 ' A' ' 8' ' ' VAL . 46.4 mm -109.29 -34.0 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.434 . . . . 75.03 111.113 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.428 ' O ' ' HB2' ' A' ' 9' ' ' ALA . . . -68.51 -36.76 79.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 62.01 111.082 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 20.1 mmmt -63.25 -25.79 68.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.27 -0.423 . . . . 72.31 110.878 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.877 HD13 HG21 ' A' ' 36' ' ' ILE . 6.3 mt -94.41 -47.33 6.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 71.05 110.924 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.674 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 59.9 t -66.73 -20.23 26.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 64.35 111.104 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.428 ' HB2' ' O ' ' A' ' 5' ' ' ALA . . . -55.13 -25.35 31.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 73.13 111.131 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 25.0 mmmt -118.22 -41.71 2.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 72.43 110.908 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -66.37 -70.43 0.24 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.447 . . . . 53.44 110.867 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 121.39 174.18 14.77 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.772 -0.728 . . . . 54.04 112.51 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.674 ' CZ3' HG11 ' A' ' 8' ' ' VAL . 5.7 m95 -67.84 -52.43 25.06 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.572 0.701 . . . . 72.55 110.985 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.625 ' HD2' ' N ' ' A' ' 13' ' ' TRP . 53.9 Cg_endo -69.82 -8.29 23.24 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.682 2.254 . . . . 71.01 112.338 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -102.96 -32.71 9.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 71.2 110.852 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.444 HD11 HG21 ' A' ' 23' ' ' ILE . 1.1 tp -81.96 -29.67 9.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 55.43 111.119 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.93 -19.53 61.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 75.31 110.884 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.36 -32.62 64.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 74.12 110.873 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.457 ' C ' HD12 ' A' ' 23' ' ' ILE . 65.8 m-85 -128.54 29.43 5.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 71.42 110.875 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 69.4 t80 -62.19 -28.35 69.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 65.02 110.923 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.7 mtpt -66.49 -34.28 77.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.088 -0.505 . . . . 71.5 110.864 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -88.27 -47.3 8.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 73.54 110.902 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.457 HD12 ' C ' ' A' ' 19' ' ' PHE . 9.8 mt -54.17 -62.9 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 71.3 111.142 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.572 ' HA ' HD12 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -55.9 -25.35 42.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 73.23 110.882 179.865 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 -75.5 -27.81 58.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 73.43 110.913 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -73.13 -32.51 64.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 72.35 110.877 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.572 HD12 ' HA ' ' A' ' 24' ' ' MET . 53.3 mt -59.98 -50.23 80.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 75.05 111.117 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -66.64 -19.52 69.2 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.732 -0.747 . . . . 62.31 112.513 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 56.4 tp60 -79.88 -27.61 40.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.86 0.362 . . . . 70.55 110.949 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 107.96 22.86 7.03 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.756 -0.735 . . . . 31.55 112.478 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 7.5 m0 -76.3 137.13 39.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.864 0.364 . . . . 75.44 110.914 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.468 ' O ' HD12 ' A' ' 36' ' ' ILE . 28.9 p -71.59 164.13 26.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 73.34 111.112 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.402 ' CD1' ' HB1' ' A' ' 3' ' ' ALA . 51.5 mm -59.52 -25.22 30.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 45.21 111.162 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -82.11 -31.65 30.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.14 -0.482 . . . . 75.32 110.865 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 48.9 mm-40 -56.17 -48.88 75.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 73.0 110.903 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.877 HG21 HD13 ' A' ' 7' ' ' LEU . 5.3 mp -70.96 -54.31 18.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 64.2 111.115 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -51.93 -29.72 21.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 75.44 110.875 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 28.3 mmtp -91.57 -26.06 18.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 65.14 110.913 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 90.4 t90 -69.35 -44.64 71.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 75.54 110.955 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.1 tp -95.76 33.09 1.71 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 74.13 110.902 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -109.63 -40.73 4.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 63.14 110.919 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -98.62 36.42 1.65 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 64.31 110.881 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 32.6 p80 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 73.14 110.861 179.968 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' FME . . . . . 0.537 ' HCN' ' OH ' ' A' ' 20' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 162.73 -71.15 0.21 Allowed Glycine 0 N--CA 1.452 -0.294 0 CA-C-N 115.144 -0.934 . . . . 75.41 112.444 178.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -121.69 44.98 2.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.745 0.307 . . . . 61.22 111.109 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.41 ' O ' HG22 ' A' ' 4' ' ' ILE . 8.9 mm -96.65 29.43 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 73.24 111.166 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.425 ' O ' ' HB2' ' A' ' 9' ' ' ALA . . . -124.89 -36.81 2.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 71.02 111.097 179.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 30.4 mmtp -78.25 -33.99 49.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 75.13 110.893 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.45 HD13 HG21 ' A' ' 36' ' ' ILE . 8.8 mt -81.38 -44.8 17.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 75.44 110.889 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.652 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 83.9 t -67.63 -24.86 31.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 72.21 111.122 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.425 ' HB2' ' O ' ' A' ' 5' ' ' ALA . . . -56.57 -23.92 43.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 52.32 111.118 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 57.2 mmtt -113.69 -35.07 5.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 61.52 110.935 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.671 ' CZ ' HD23 ' A' ' 40' ' ' LEU . 24.4 m-85 -78.5 -66.7 0.82 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 64.33 110.913 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 119.27 173.78 15.59 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.72 -0.752 . . . . 53.11 112.499 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.652 ' CZ3' HG11 ' A' ' 8' ' ' VAL . 5.5 m95 -68.44 -52.63 19.89 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-O 121.57 0.7 . . . . 72.24 110.886 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.633 ' HD2' ' N ' ' A' ' 13' ' ' TRP . 53.4 Cg_endo -69.8 -8.98 24.97 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.633 2.222 . . . . 72.31 112.35 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.439 ' HE1' HD21 ' A' ' 40' ' ' LEU . 4.0 t80 -101.41 -43.98 5.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 72.32 110.888 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.689 HD12 HD13 ' A' ' 23' ' ' ILE . 3.5 tp -65.68 -30.03 48.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 63.25 111.085 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -73.92 -19.11 60.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 74.13 110.926 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 79.9 mttt -77.11 -26.36 53.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 72.41 110.921 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.537 ' O ' HD12 ' A' ' 23' ' ' ILE . 31.5 m-85 -131.37 27.55 4.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 65.11 110.892 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.537 ' OH ' ' HCN' ' A' ' 1' ' ' FME . 58.3 t80 -64.61 -24.85 67.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 73.0 110.942 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.8 ttpt -67.39 -33.42 75.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.095 -0.502 . . . . 72.54 110.898 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 79.7 mm-40 -89.82 -53.48 4.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 61.2 110.898 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.689 HD13 HD12 ' A' ' 16' ' ' ILE . 7.3 mt -51.74 -56.94 4.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 74.22 111.155 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.721 ' HA ' HD12 ' A' ' 27' ' ' ILE . 13.9 tpt -56.88 -24.54 52.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 63.44 110.888 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 11.8 mm-40 -81.94 -29.57 32.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 73.13 110.894 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -74.97 -32.82 61.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 73.41 110.88 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.721 HD12 ' HA ' ' A' ' 24' ' ' MET . 47.8 mt -58.41 -68.36 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 71.21 111.116 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -52.99 -28.47 32.66 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.722 -0.752 . . . . 71.22 112.499 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -64.75 -30.37 71.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.848 0.356 . . . . 75.33 110.887 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 106.42 32.15 3.78 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.713 -0.756 . . . . 64.34 112.497 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 6.8 m0 -85.94 156.37 20.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.83 0.348 . . . . 75.13 110.938 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.487 ' O ' HD12 ' A' ' 36' ' ' ILE . 70.3 p -83.72 156.03 22.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 74.54 111.107 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.413 ' H ' HD12 ' A' ' 33' ' ' ILE . 3.6 mp -57.86 -24.35 22.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 74.32 111.123 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 61.6 m-20 -85.69 -27.66 25.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.467 . . . . 43.25 110.918 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -60.3 -45.95 91.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 74.23 110.873 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.51 ' H ' HD12 ' A' ' 36' ' ' ILE . 5.3 mp -72.77 -53.8 17.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 60.32 111.117 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -51.61 -30.55 21.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 75.33 110.89 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 21.9 mmmt -92.36 -25.14 18.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.492 . . . . 71.34 110.914 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 72.7 t90 -72.29 -44.59 62.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 71.13 110.944 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.671 HD23 ' CZ ' ' A' ' 11' ' ' PHE . 22.0 tp -76.06 -44.88 36.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 70.44 110.903 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.1 mmmm -52.14 -36.47 51.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 65.14 110.904 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 62.3 ttp85 -80.77 -28.04 36.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 72.23 110.886 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 35.2 m-70 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 75.43 110.877 179.978 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -112.26 -61.31 0.45 Allowed Glycine 0 N--CA 1.451 -0.339 0 CA-C-N 115.186 -0.915 . . . . 73.01 112.517 178.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -73.69 -43.56 58.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.76 0.314 . . . . 65.53 111.11 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.605 HG22 HG23 ' A' ' 8' ' ' VAL . 24.2 mt -68.43 -28.66 41.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 72.11 111.142 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.69 -36.16 45.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 55.1 111.103 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.9 mmmt -62.78 -34.04 76.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 72.14 110.896 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.79 HD13 HG21 ' A' ' 36' ' ' ILE . 7.4 mt -82.01 -43.57 17.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 71.32 110.932 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.643 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 87.6 t -64.89 -25.03 36.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 64.13 111.132 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.44 -22.09 53.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 64.01 111.097 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 30.2 mmtp -116.82 -27.35 6.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 73.25 110.901 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.66 ' CZ ' HD23 ' A' ' 40' ' ' LEU . 23.5 m-85 -86.54 -60.27 2.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 75.32 110.874 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 112.46 173.02 18.98 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.741 -0.742 . . . . 64.54 112.457 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.643 ' CZ3' HG11 ' A' ' 8' ' ' VAL . 5.8 m95 -68.16 -52.45 22.6 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.571 0.701 . . . . 74.4 110.897 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.634 ' HD2' ' N ' ' A' ' 13' ' ' TRP . 54.3 Cg_endo -69.76 -8.89 24.75 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.672 2.248 . . . . 74.24 112.355 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -101.59 -41.9 6.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 72.12 110.847 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.585 HD11 HG21 ' A' ' 23' ' ' ILE . 2.9 tp -69.14 -30.44 46.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 73.21 111.139 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.5 -19.82 61.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 54.31 110.904 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.0 tptm -62.11 -42.11 98.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.455 . . . . 75.31 110.885 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.475 ' C ' HD12 ' A' ' 23' ' ' ILE . 86.2 m-85 -132.33 36.23 3.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 62.13 110.868 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 62.5 t80 -61.99 -26.2 68.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.172 -0.467 . . . . 54.3 110.926 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 33.1 tttm -62.01 -40.55 96.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 63.53 110.876 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 23.4 tp60 -85.45 -44.16 12.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 64.42 110.892 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.585 HG21 HD11 ' A' ' 16' ' ' ILE . 11.1 mt -56.56 -59.88 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 72.52 111.136 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 13.3 tpt -56.04 -25.42 44.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 74.42 110.879 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -74.55 -25.91 59.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 75.3 110.935 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -75.42 -43.03 51.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 73.41 110.909 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 50.0 mm -52.56 -40.24 32.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.11 -0.495 . . . . 74.24 111.148 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -74.37 -19.53 79.81 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.74 -0.743 . . . . 53.03 112.48 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -82.98 -26.02 31.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.862 0.363 . . . . 74.13 110.909 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.15 20.27 9.9 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.743 -0.741 . . . . 63.45 112.501 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 6.2 m0 -71.46 138.74 49.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.854 0.359 . . . . 70.13 110.906 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.407 ' O ' HD12 ' A' ' 36' ' ' ILE . 21.1 p -65.4 166.39 10.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.242 -0.435 . . . . 62.02 111.169 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.518 ' H ' HD12 ' A' ' 33' ' ' ILE . 4.5 mp -66.7 -26.13 36.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 33.33 111.146 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 -82.43 -26.95 32.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 75.45 110.852 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 16.7 mm-40 -56.95 -44.98 83.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 74.1 110.929 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.79 HG21 HD13 ' A' ' 7' ' ' LEU . 5.4 mp -76.43 -47.92 28.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 74.13 111.118 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -52.38 -29.68 25.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 73.4 110.901 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -96.48 -25.27 15.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 72.33 110.93 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 46.9 t90 -73.33 -36.37 66.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.458 . . . . 73.52 110.916 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.66 HD23 ' CZ ' ' A' ' 11' ' ' PHE . 24.7 tp -86.6 -48.25 8.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 72.53 110.929 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 34.7 tptt -51.93 -39.41 59.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 74.22 110.915 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 50.4 ttp180 -63.52 -50.69 68.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 72.33 110.839 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 75.14 110.828 179.988 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 68.43 30.69 73.35 Favored Glycine 0 N--CA 1.451 -0.321 0 CA-C-N 115.168 -0.924 . . . . 55.34 112.521 178.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.425 ' HB1' HD11 ' A' ' 33' ' ' ILE . . . -115.99 -25.58 7.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.827 0.346 . . . . 62.41 111.138 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.635 HG12 HD11 ' A' ' 27' ' ' ILE . 17.2 mt -56.68 -37.03 50.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 71.41 111.104 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.6 -43.27 62.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 63.41 111.114 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 21.4 mmtp -55.84 -37.83 69.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 74.43 110.924 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.848 HD13 HG21 ' A' ' 36' ' ' ILE . 9.7 mt -81.15 -38.9 26.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 70.05 110.902 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.675 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 96.4 t -66.22 -26.04 37.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 74.41 111.151 179.803 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.65 -22.74 47.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 74.55 111.126 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 24.4 mmmt -114.46 -31.28 6.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 73.23 110.864 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -83.67 -64.05 1.24 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 72.45 110.91 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 115.33 173.63 17.69 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.768 -0.73 . . . . 62.45 112.544 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.675 ' CZ3' HG11 ' A' ' 8' ' ' VAL . 5.8 m95 -67.99 -52.47 23.74 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.576 0.703 . . . . 74.42 110.924 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.63 ' HD2' ' N ' ' A' ' 13' ' ' TRP . 54.1 Cg_endo -69.67 -10.65 29.17 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.725 2.283 . . . . 61.33 112.361 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -99.74 -41.87 7.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 74.13 110.859 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.625 HD11 HG21 ' A' ' 23' ' ' ILE . 1.2 tp -71.22 -30.01 38.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 73.25 111.13 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -73.84 -19.48 60.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 63.52 110.902 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.72 -26.35 65.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 74.14 110.901 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.408 ' C ' HD12 ' A' ' 23' ' ' ILE . 59.8 m-85 -146.41 37.43 1.01 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.44 . . . . 75.43 110.86 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 51.0 t80 -63.65 -25.92 68.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 73.24 110.895 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.3 mtmt -66.16 -36.0 81.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 74.42 110.911 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 12.3 tp60 -87.45 -45.59 10.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 73.13 110.917 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.625 HG21 HD11 ' A' ' 16' ' ' ILE . 11.9 mt -54.77 -63.04 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 61.31 111.134 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.599 ' SD ' HD12 ' A' ' 27' ' ' ILE . 11.7 tpt -56.43 -25.32 49.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 72.54 110.864 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.3 mm100 -70.54 -26.32 63.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 54.11 110.933 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -72.64 -36.56 68.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 74.43 110.877 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.635 HD11 HG12 ' A' ' 4' ' ' ILE . 68.2 mt -54.92 -57.78 5.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 74.42 111.11 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -55.64 -28.34 51.46 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.715 -0.755 . . . . 50.02 112.486 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -73.45 -25.8 60.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.882 0.372 . . . . 72.22 110.932 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 102.23 20.44 12.38 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.73 -0.748 . . . . 75.2 112.511 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 9.1 m0 -72.47 140.88 48.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.85 0.357 . . . . 75.24 110.884 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.539 ' O ' HD12 ' A' ' 36' ' ' ILE . 57.1 p -72.09 156.8 38.8 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.205 -0.452 . . . . 75.25 111.142 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.425 HD11 ' HB1' ' A' ' 3' ' ' ALA . 48.0 mm -56.4 -24.7 19.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 72.11 111.154 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -81.41 -36.09 29.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 73.5 110.858 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 -52.65 -47.29 67.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 61.24 110.928 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.848 HG21 HD13 ' A' ' 7' ' ' LEU . 5.1 mp -69.43 -54.56 19.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 74.31 111.128 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -52.34 -31.13 31.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 64.04 110.896 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.4 tppt? -88.67 -26.56 21.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 55.2 110.888 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.62 ' HE3' HD22 ' A' ' 40' ' ' LEU . 48.0 t90 -62.46 -40.66 97.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.237 -0.438 . . . . 64.42 110.971 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.62 HD22 ' HE3' ' A' ' 39' ' ' TRP . 3.2 mm? -63.9 -66.49 0.54 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 50.41 110.888 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 29.1 tttm -55.06 -30.96 60.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 72.42 110.905 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 44.4 mtp180 -115.83 54.87 0.8 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 74.31 110.832 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 23.7 t-160 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 74.22 110.895 179.991 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -175.25 -39.91 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.374 0 CA-C-N 115.215 -0.902 . . . . 54.15 112.517 178.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -66.8 -25.72 66.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.774 0.321 . . . . 24.34 111.133 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.496 HG22 HG23 ' A' ' 8' ' ' VAL . 24.9 mt -55.5 -28.94 23.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 53.3 111.161 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.76 -48.3 63.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 55.24 111.105 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 54.2 mttp -56.05 -36.6 68.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 72.24 110.907 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.597 HD11 HD11 ' A' ' 27' ' ' ILE . 10.0 mt -75.4 -38.31 59.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.241 -0.436 . . . . 74.21 110.936 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.636 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 87.9 t -67.64 -24.13 30.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 71.44 111.121 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.23 -20.9 58.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 63.1 111.09 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -116.72 -27.31 6.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 71.43 110.876 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.628 ' CE1' HD23 ' A' ' 40' ' ' LEU . 22.5 m-85 -87.25 -60.65 1.92 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 62.11 110.834 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 113.15 172.1 18.26 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.787 -0.72 . . . . 73.21 112.484 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.636 ' CZ3' HG11 ' A' ' 8' ' ' VAL . 5.8 m95 -67.83 -52.49 24.83 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.598 0.713 . . . . 63.11 110.929 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.626 ' HD2' ' N ' ' A' ' 13' ' ' TRP . 53.8 Cg_endo -69.77 -8.67 24.19 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.647 2.231 . . . . 75.0 112.355 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.487 ' HE1' HD21 ' A' ' 40' ' ' LEU . 3.1 t80 -101.51 -44.49 5.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 53.03 110.877 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.521 HD12 HD13 ' A' ' 23' ' ' ILE . 6.7 tp -64.6 -29.54 47.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 72.22 111.152 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.86 -18.75 60.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 73.03 110.916 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.61 -23.71 42.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 74.53 110.899 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -130.98 25.2 4.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 63.23 110.9 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -67.26 -25.7 66.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 55.21 110.966 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.0 mtpp -68.44 -23.78 64.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.108 -0.496 . . . . 71.44 110.9 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.16 -55.22 2.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 74.13 110.947 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.521 HD13 HD12 ' A' ' 16' ' ' ILE . 78.7 mt -50.96 -57.5 2.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.466 . . . . 72.14 111.096 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 6.3 tmm? -56.22 -24.63 43.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 63.33 110.868 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -83.88 -27.96 28.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 62.54 110.929 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -74.74 -32.56 62.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 74.41 110.89 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.597 HD11 HD11 ' A' ' 7' ' ' LEU . 44.3 mm -61.19 -54.09 40.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 71.12 111.159 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -58.6 -20.44 46.3 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.74 -0.743 . . . . 72.3 112.493 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 35.7 tp60 -78.92 -25.98 43.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.855 0.359 . . . . 61.12 110.886 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 112.09 20.8 6.56 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.769 -0.729 . . . . 71.14 112.515 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 13.7 m0 -79.33 136.14 36.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.801 0.334 . . . . 63.4 110.926 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 33.0 p -76.81 -172.82 2.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 74.22 111.127 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.424 ' H ' HD12 ' A' ' 33' ' ' ILE . 4.4 mp -70.48 -44.47 77.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.448 . . . . 75.01 111.093 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -63.87 -29.42 70.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 71.1 110.863 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -55.93 -55.5 31.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 60.31 110.891 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.532 ' HB ' HD22 ' A' ' 7' ' ' LEU . 5.4 mp -76.57 -47.21 29.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 62.41 111.136 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 35.0 mm-40 -51.82 -30.26 22.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 53.24 110.905 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 51.9 tttt -96.14 -28.67 14.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 73.1 110.913 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 45.0 t90 -70.54 -31.82 69.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.455 . . . . 70.44 110.903 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.628 HD23 ' CE1' ' A' ' 11' ' ' PHE . 25.6 tp -96.28 -49.72 5.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 70.03 110.928 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.1 ttpt 63.22 28.11 15.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 74.5 110.888 179.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 19.6 mtt180 56.83 42.14 26.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 74.52 110.884 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 64.31 110.847 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -112.88 -25.8 4.37 Favored Glycine 0 N--CA 1.452 -0.298 0 CA-C-N 115.155 -0.929 . . . . 31.33 112.51 178.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.987 ' HB3' HD12 ' A' ' 27' ' ' ILE . . . -95.53 24.83 4.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.772 0.32 . . . . 71.32 111.133 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.528 HG22 HG21 ' A' ' 8' ' ' VAL . 9.0 mm -95.78 29.45 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 62.34 111.127 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.419 ' O ' ' HB2' ' A' ' 9' ' ' ALA . . . -117.1 -40.33 3.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 54.14 111.097 179.819 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 29.5 mmtp -74.33 -30.43 62.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 74.24 110.89 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.552 HD11 HD11 ' A' ' 27' ' ' ILE . 7.8 mt -83.25 -46.81 12.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 74.32 110.869 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.759 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 94.5 t -66.2 -32.5 58.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 74.33 111.101 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.419 ' HB2' ' O ' ' A' ' 5' ' ' ALA . . . -51.39 -29.72 16.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.481 . . . . 71.21 111.087 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 21.7 mmmt -104.69 -39.96 6.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 73.44 110.891 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.764 ' CE1' HD23 ' A' ' 40' ' ' LEU . 24.6 m-85 -77.74 -73.25 0.32 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 73.43 110.926 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 120.22 176.09 15.71 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.703 -0.76 . . . . 75.33 112.482 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.759 ' CZ3' HG11 ' A' ' 8' ' ' VAL . 5.1 m95 -68.74 -52.79 17.28 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.604 0.716 . . . . 72.35 110.937 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.625 ' HD2' ' N ' ' A' ' 13' ' ' TRP . 53.6 Cg_endo -69.8 -8.83 24.61 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.682 2.255 . . . . 71.22 112.292 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.626 ' HE1' HD21 ' A' ' 40' ' ' LEU . 3.4 t80 -101.45 -48.19 4.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.299 -0.41 . . . . 72.44 110.859 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.591 HD12 HG22 ' A' ' 8' ' ' VAL . 17.7 tt -61.42 -30.08 47.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 70.21 111.14 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.32 -22.39 66.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.113 -0.494 . . . . 75.05 110.863 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.8 tmtm? -73.17 -25.94 60.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 72.42 110.836 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -138.65 41.21 2.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 74.35 110.916 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 33.5 t80 -76.4 -25.06 54.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 53.3 110.928 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.68 -29.67 68.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 74.54 110.896 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 41.7 mm-40 -93.27 -54.56 3.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 73.14 110.914 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.416 HD13 HG13 ' A' ' 16' ' ' ILE . 42.0 mt -51.61 -57.14 3.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 71.11 111.104 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 15.6 tpt -56.15 -25.21 45.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 75.01 110.9 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -83.44 -26.96 29.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 74.41 110.882 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -76.05 -36.96 58.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 71.5 110.899 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.987 HD12 ' HB3' ' A' ' 3' ' ' ALA . 48.7 mm -64.3 -48.28 86.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 64.33 111.154 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.95 -20.88 69.15 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.743 -0.741 . . . . 72.52 112.466 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 47.7 tp60 -79.77 -31.24 40.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.875 0.369 . . . . 74.43 110.961 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 112.35 23.07 5.59 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.707 -0.759 . . . . 62.3 112.477 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 5.7 m0 -75.14 147.0 40.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.781 0.324 . . . . 74.44 110.979 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.427 ' O ' HD12 ' A' ' 36' ' ' ILE . 20.2 p -73.13 168.01 19.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 50.12 111.124 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.469 ' H ' HD12 ' A' ' 33' ' ' ILE . 4.1 mp -71.15 -24.28 24.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 75.33 111.09 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -87.9 2.49 51.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 70.13 110.883 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.5 mm100 -91.92 -44.25 9.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 74.31 110.917 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.507 ' H ' HD12 ' A' ' 36' ' ' ILE . 5.3 mp -74.45 -54.29 15.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 63.14 111.156 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -51.88 -30.19 22.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 75.21 110.884 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 13.4 mmmt -91.61 -26.07 18.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 75.34 110.91 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 53.3 t90 -65.62 -39.55 91.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.467 . . . . 75.24 110.934 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.764 HD23 ' CE1' ' A' ' 11' ' ' PHE . 17.7 tp -82.17 -39.5 23.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 70.14 110.913 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.3 -27.0 63.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 62.43 110.881 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 43.3 mtp85 -75.64 -37.12 59.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 74.31 110.91 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 22.6 m-70 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 65.52 110.83 179.978 . . . . . . . . 0 0 . 1 stop_ save_