data_2aav_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 2aav _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A 1868 ' ' VAL . . . . . . . . . . . . . 14.7 p . . . . . 0 C--O 1.236 0.359 0 N-CA-C 109.839 -0.43 . . . . 10.0 109.839 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A 1869 ' ' THR . . . . . . . . . . . . . 20.6 m -137.72 155.3 49.23 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 125.73 1.612 . . . . 10.0 110.539 -170.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1870 ' ' ALA . . . . . . . . . . . . . . . -131.63 127.55 37.26 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 126.238 1.815 . . . . 10.0 110.108 169.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1871 ' ' TYR . . . . . . . . . . . . . 42.5 p90 -148.89 162.57 39.59 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.974 1.31 . . . . 10.0 113.186 -175.294 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1872 ' ' GLY . . . . . . . . . . . . . . . 123.48 169.42 13.21 Favored Glycine 0 CA--C 1.54 1.646 0 C-N-CA 124.545 1.069 . . . . 10.0 114.055 178.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1873 ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.52 -24.01 31.24 Favored 'Trans proline' 0 C--N 1.358 1.047 0 C-N-CA 122.818 2.345 . . . . 10.0 113.592 -177.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1874 ' ' GLY . . . . . . . . . . . . . . . -70.32 -3.32 46.08 Favored Glycine 0 CA--C 1.533 1.189 0 CA-C-O 118.291 -1.283 . . . . 10.0 115.762 178.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1875 ' ' LEU . . . . . . . . . . . . . 89.2 mt -89.19 -15.9 32.61 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 119.142 1.471 . . . . 10.0 113.273 168.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1876 ' ' THR . . . . . . . . . . . . . 8.9 t -128.74 -23.57 3.1 Favored 'General case' 0 N--CA 1.484 1.26 0 N-CA-C 115.054 1.501 . . . . 10.0 115.054 -167.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1877 ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -140.83 168.46 19.74 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 125.754 1.622 . . . . 10.0 111.038 177.179 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1878 ' ' GLY . . . . . . . . . . . . . . . -152.03 170.45 31.39 Favored Glycine 0 N--CA 1.478 1.437 0 C-N-CA 124.776 1.179 . . . . 10.0 114.182 178.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1879 ' ' VAL . . . . . . . . . . . . . 40.8 t -135.1 114.25 16.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 125.044 1.337 . . . . 10.0 109.016 174.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1880 ' ' VAL . . . . . . . . . . . . . 91.1 t -60.35 134.52 25.62 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.519 0 C-N-CA 123.927 0.891 . . . . 10.0 111.265 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1881 ' ' ASN . . . . . . . . . . . . . 87.2 m-20 64.95 4.84 2.63 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 128.314 2.646 . . . . 10.0 116.691 -178.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1882 ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -122.18 139.52 30.72 Favored Pre-proline 0 CA--C 1.545 0.769 0 CA-C-N 121.422 1.919 . . . . 10.0 111.077 170.337 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1883 ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -52.85 122.12 10.47 Favored 'Trans proline' 0 CA--C 1.536 0.606 0 C-N-CA 123.635 2.89 . . . . 10.0 113.419 -171.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1884 ' ' ALA . . . . . . . . . . . . . . . -93.0 138.71 31.24 Favored 'General case' 0 C--O 1.241 0.619 0 C-N-CA 124.465 1.106 . . . . 10.0 109.371 173.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1885 ' ' THR . . . . . . . . . . . . . 33.9 p -143.38 151.43 40.41 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 113.295 0.85 . . . . 10.0 113.295 -174.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1886 ' ' PHE . . . . . . . . . . . . . 44.8 p90 -149.92 169.16 21.79 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.072 1.349 . . . . 10.0 111.062 167.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1887 ' ' THR . . . . . . . . . . . . . 79.6 m -110.46 139.79 45.34 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.433 1.093 . . . . 10.0 111.424 -173.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1888 ' ' VAL . . . . . . . . . . . . . 3.9 m -124.87 152.1 30.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 125.664 1.585 . . . . 10.0 109.189 168.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1889 ' ' ASN . . . . . . . . . . . . . 45.2 t30 -147.27 101.09 3.35 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 125.655 1.582 . . . . 10.0 111.943 -169.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 24.3 p -79.29 34.72 0.26 Allowed 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 126.171 1.788 . . . . 10.0 113.569 179.065 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1891 ' ' LYS . . . . . . . . . . . . . 12.1 ptmm? -37.97 -39.35 0.38 Allowed 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 128.945 2.898 . . . . 10.0 117.439 -171.247 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -124.63 -12.48 7.17 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 124.686 1.194 . . . . 10.0 113.954 171.145 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1893 ' ' ALA . . . . . . . . . . . . . . . -63.67 -37.22 86.53 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 125.762 1.625 . . . . 10.0 115.333 171.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.515 0 CA-C-N 119.147 0.885 . . . . 10.0 114.409 -178.975 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A 1898 ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.543 0.676 0 CA-C-O 121.075 0.464 . . . . 10.0 111.339 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1899 ' ' SER . . . . . . . . . . . . . 9.4 t -146.48 160.78 41.66 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 120.821 -1.174 . . . . 10.0 112.827 -177.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1900 ' ' LEU . . . . . . . . . . . . . 73.3 mt -129.72 163.75 25.48 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.638 1.175 . . . . 10.0 114.152 179.225 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1901 ' ' ALA . . . . . . . . . . . . . . . -145.72 145.28 30.8 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 126.202 1.801 . . . . 10.0 107.755 165.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1902 ' ' ILE . . . . . . . . . . . . . 1.1 mp -124.43 132.4 71.4 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 124.842 1.257 . . . . 10.0 109.363 179.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1903 ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 -118.09 172.49 7.38 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 127.252 2.221 . . . . 10.0 111.269 177.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1904 ' ' GLY . . . . . . . . . . . . . . . 155.58 -162.81 31.35 Favored Glycine 0 CA--C 1.546 1.99 0 C-N-CA 125.412 1.482 . . . . 10.0 112.409 -175.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1905 ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -71.11 -17.95 31.16 Favored 'Trans proline' 0 CA--C 1.545 1.029 0 C-N-CA 123.565 2.844 . . . . 10.0 112.907 169.028 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1906 ' ' SER . . . . . . . . . . . . . 13.8 t -149.68 171.65 16.34 Favored 'General case' 0 C--O 1.243 0.732 0 C-N-CA 128.834 2.854 . . . . 10.0 109.478 -167.096 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1907 ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -116.33 173.84 6.38 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.268 1.427 . . . . 10.0 112.22 -170.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1908 ' ' ALA . . . . . . . . . . . . . . . -144.23 171.55 14.15 Favored 'General case' 0 CA--C 1.56 1.351 0 C-N-CA 126.591 1.957 . . . . 10.0 112.434 178.013 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1909 ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -96.12 -6.43 38.49 Favored 'General case' 0 N--CA 1.484 1.266 0 N-CA-C 116.016 1.858 . . . . 10.0 116.016 -170.035 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1910 ' ' ILE . . . . . . . . . . . . . 4.0 mt 25.29 72.21 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 131.371 3.869 . . . . 10.0 113.073 -176.336 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1911 ' ' SER . . . . . . . . . . . . . 6.0 t -81.18 170.18 16.45 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.308 1.443 . . . . 10.0 111.865 171.025 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1912 ' ' CYS . . . . . . . . . . . . . 30.3 p -149.27 172.96 14.03 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 113.391 0.886 . . . . 10.0 113.391 171.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1913 ' ' THR . . . . . . . . . . . . . 24.3 m -139.02 133.97 32.38 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 125.706 1.602 . . . . 10.0 110.905 178.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1914 ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -70.51 -42.51 71.21 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.526 1.13 . . . . 10.0 113.856 -175.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1915 ' ' ASN . . . . . . . . . . . . . 67.9 m-80 49.89 -165.65 0.03 OUTLIER 'General case' 0 CA--C 1.554 1.119 0 C-N-CA 127.72 2.408 . . . . 10.0 112.951 -169.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1916 ' ' GLN . . . . . . . . . . . . . 19.4 tt0 -120.64 9.24 10.76 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 126.952 2.101 . . . . 10.0 111.305 170.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1917 ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -100.57 -2.9 31.72 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 125.855 1.662 . . . . 10.0 113.932 -173.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1918 ' ' GLY . . . . . . . . . . . . . . . 91.3 -3.42 79.66 Favored Glycine 0 CA--C 1.538 1.509 0 C-N-CA 124.925 1.25 . . . . 10.0 115.989 173.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1919 ' ' THR . . . . . . . . . . . . . 70.0 p -75.89 169.71 17.62 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.813 1.245 . . . . 10.0 111.997 177.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1920 ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -115.54 41.26 2.54 Favored 'General case' 0 CA--C 1.551 0.982 0 O-C-N 121.492 -0.755 . . . . 10.0 109.856 168.224 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1921 ' ' SER . . . . . . . . . . . . . 10.6 t -33.91 115.06 0.22 Allowed 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 128.177 2.591 . . . . 10.0 114.561 -167.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1922 ' ' VAL . . . . . . . . . . . . . 86.1 t -96.31 137.12 25.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 123.568 0.747 . . . . 10.0 110.931 -173.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1923 ' ' SER . . . . . . . . . . . . . 72.7 m -135.33 119.19 17.3 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 125.396 1.478 . . . . 10.0 111.359 178.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1924 ' ' TYR . . . . . . . . . . . . . 16.4 p90 -132.34 174.87 9.79 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.998 1.319 . . . . 10.0 110.441 179.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1925 ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -140.98 97.45 7.06 Favored Pre-proline 0 CA--C 1.551 0.981 0 O-C-N 120.409 -1.432 . . . . 10.0 111.218 -174.796 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1926 ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -70.45 122.09 8.6 Favored 'Trans proline' 0 C--N 1.356 0.924 0 C-N-CA 122.221 1.947 . . . . 10.0 111.355 169.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1927 ' ' VAL . . . . . . . . . . . . . 28.8 m -106.02 0.18 10.07 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.247 0 C-N-CA 125.553 1.541 . . . . 10.0 114.308 -175.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1928 ' ' LEU . . . . . . . . . . . . . 4.8 tt -149.6 135.01 9.76 Favored Pre-proline 0 CA--C 1.563 1.475 0 C-N-CA 125.845 1.658 . . . . 10.0 109.607 175.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1929 ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -57.8 138.43 86.03 Favored 'Trans proline' 0 CA--C 1.546 1.097 0 C-N-CA 123.255 2.637 . . . . 10.0 113.975 -177.256 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1930 ' ' GLY . . . . . . . . . . . . . . . 175.08 -178.16 46.88 Favored Glycine 0 N--CA 1.477 1.386 0 N-CA-C 117.643 1.817 . . . . 10.0 117.643 -175.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1931 ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -99.1 82.18 2.69 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 126.115 1.766 . . . . 10.0 109.651 178.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1932 ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -80.07 101.73 8.9 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.834 1.254 . . . . 10.0 111.027 -170.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1933 ' ' SER . . . . . . . . . . . . . 73.5 m -79.66 110.47 15.02 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 124.065 0.946 . . . . 10.0 112.213 -176.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1934 ' ' ILE . . . . . . . . . . . . . 1.2 mp -76.83 129.24 37.53 Favored 'Isoleucine or valine' 0 C--O 1.243 0.713 0 C-N-CA 124.882 1.273 . . . . 10.0 109.294 170.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1935 ' ' LEU . . . . . . . . . . . . . 3.0 mm? -106.64 100.86 10.35 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 126.887 2.075 . . . . 10.0 108.039 167.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1936 ' ' VAL . . . . . . . . . . . . . 15.6 t -87.2 129.18 39.07 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.405 0 CA-C-N 119.847 1.203 . . . . 10.0 110.159 172.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1937 ' ' LYS . . . . . . . . . . . . . 73.9 mttt -119.47 144.62 46.88 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.711 1.204 . . . . 10.0 111.681 169.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1938 ' ' TYR . . . . . . . . . . . . . 71.1 t80 -127.88 118.0 22.84 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 125.296 1.439 . . . . 10.0 108.313 169.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1939 ' ' ASN . . . . . . . . . . . . . 43.3 t30 44.77 71.89 0.23 Allowed 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 126.305 1.842 . . . . 10.0 114.039 -172.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1940 ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 68.15 -9.12 0.51 Allowed 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 128.516 2.726 . . . . 10.0 116.293 172.087 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1941 ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -127.39 159.72 33.61 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.331 1.452 . . . . 10.0 112.504 179.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1942 ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -72.65 155.21 40.24 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 113.853 1.057 . . . . 10.0 113.853 -173.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1943 ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -73.47 163.94 64.74 Favored Pre-proline 0 CA--C 1.542 0.651 0 C-N-CA 125.499 1.519 . . . . 10.0 113.205 179.221 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1944 ' ' PRO . . . . . . . . . . . . . 47.8 Cg_exo -64.62 -20.21 65.31 Favored 'Trans proline' 0 CA--C 1.55 1.281 0 C-N-CA 124.411 3.407 . . . . 10.0 115.918 -170.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1945 ' ' GLY . . . . . . . . . . . . . . . -114.15 -1.88 23.54 Favored Glycine 0 CA--C 1.541 1.667 0 C-N-CA 126.851 2.167 . . . . 10.0 114.641 -178.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1946 ' ' SER . . . . . . . . . . . . . 5.9 m -69.45 155.33 93.73 Favored Pre-proline 0 CA--C 1.545 0.774 0 CA-C-N 118.485 1.143 . . . . 10.0 112.349 178.068 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1947 ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -72.24 172.58 57.02 Favored 'Cis proline' 0 CA--C 1.548 1.178 0 CA-C-N 119.998 1.035 . . . . 10.0 112.848 -11.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1948 ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -120.63 165.64 14.76 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.726 1.61 . . . . 10.0 109.236 167.085 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1949 ' ' THR . . . . . . . . . . . . . 8.8 m -142.23 98.51 3.33 Favored 'General case' 0 N--CA 1.479 1.023 0 O-C-N 121.2 -0.938 . . . . 10.0 110.93 -175.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1950 ' ' ALA . . . . . . . . . . . . . . . -74.99 103.84 5.34 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.363 1.065 . . . . 10.0 111.672 174.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1951 ' ' ARG . . . . . . . . . . . . . 65.7 ttt-85 -79.85 91.28 5.34 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-O 123.074 1.416 . . . . 10.0 111.055 175.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1952 ' ' VAL . . . . . . . . . . . . . 2.4 t -68.1 115.54 6.5 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 128.18 2.592 . . . . 10.0 112.575 174.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1953 ' ' THR . . . . . . . . . . . . . 5.7 t -93.46 151.28 19.83 Favored 'General case' 0 C--O 1.243 0.753 0 C-N-CA 124.351 1.06 . . . . 10.0 111.53 171.233 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1954 ' ' GLY . . . . . . . . . . . . . . . -105.62 167.95 15.01 Favored Glycine 0 CA--C 1.535 1.297 0 CA-C-O 122.399 1.0 . . . . 10.0 114.48 -176.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1955 ' ' ASP . . . . . . . . . . . . . 37.4 t70 -129.36 -12.79 4.46 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 126.278 1.831 . . . . 10.0 113.977 -173.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1956 ' ' ASP . . . . . . . . . . . . . 33.8 t70 . . . . . 0 C--O 1.252 1.184 0 C-N-CA 126.614 1.966 . . . . 10.0 113.067 -178.187 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A 1868 ' ' VAL . . . . . . . . . . . . . 9.2 p . . . . . 0 N--CA 1.476 0.834 0 N-CA-C 109.383 -0.599 . . . . 10.0 109.383 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A 1869 ' ' THR . . . . . . . . . . . . . 73.1 p -139.9 -173.76 3.73 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 125.721 1.608 . . . . 10.0 109.557 -172.009 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1870 ' ' ALA . . . . . . . . . . . . . . . -133.22 127.35 33.55 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 125.367 1.467 . . . . 10.0 110.916 169.309 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1871 ' ' TYR . . . . . . . . . . . . . 47.4 p90 -147.63 160.48 42.62 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.483 1.113 . . . . 10.0 111.64 179.407 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1872 ' ' GLY . . . . . . . . . . . . . . . 131.18 169.65 12.47 Favored Glycine 0 CA--C 1.545 1.928 0 C-N-CA 125.718 1.628 . . . . 10.0 113.1 176.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1873 ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -74.42 -19.58 19.23 Favored 'Trans proline' 0 CA--C 1.546 1.101 0 C-N-CA 123.396 2.731 . . . . 10.0 113.804 -170.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1874 ' ' GLY . . . . . . . . . . . . . . . -73.68 -12.49 80.62 Favored Glycine 0 CA--C 1.531 1.032 0 CA-C-O 118.341 -1.255 . . . . 10.0 114.441 173.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1875 ' ' LEU . . . . . . . . . . . . . 44.7 mt -86.26 -9.4 56.55 Favored 'General case' 0 C--N 1.352 0.688 0 CA-C-N 119.298 1.549 . . . . 10.0 113.063 171.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1876 ' ' THR . . . . . . . . . . . . . 70.2 p -118.63 -29.68 5.34 Favored 'General case' 0 N--CA 1.494 1.762 0 C-N-CA 126.1 1.76 . . . . 10.0 113.439 -172.378 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1877 ' ' HIS . . . . . . . . . . . . . 3.2 p-80 -145.42 -178.49 6.1 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 119.24 0.927 . . . . 10.0 112.23 173.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1878 ' ' GLY . . . . . . . . . . . . . . . -151.52 163.49 29.95 Favored Glycine 0 N--CA 1.468 0.811 0 C-N-CA 125.135 1.35 . . . . 10.0 113.398 178.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1879 ' ' VAL . . . . . . . . . . . . . 11.5 t -132.44 109.79 15.29 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.421 0 C-N-CA 124.851 1.26 . . . . 10.0 110.652 178.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1880 ' ' VAL . . . . . . . . . . . . . 57.9 t -59.74 124.06 13.33 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 C-N-CA 124.671 1.188 . . . . 10.0 110.691 -177.598 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1881 ' ' ASN . . . . . . . . . . . . . 76.0 m-20 67.32 17.09 10.19 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 128.207 2.603 . . . . 10.0 116.271 -172.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1882 ' ' LYS . . . . . . . . . . . . . 14.1 tppt? -137.68 144.8 46.08 Favored Pre-proline 0 N--CA 1.483 1.221 0 O-C-N 120.627 -1.296 . . . . 10.0 112.074 172.407 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1883 ' ' PRO . . . . . . . . . . . . . 92.9 Cg_exo -55.66 141.01 84.6 Favored 'Trans proline' 0 C--O 1.239 0.558 0 C-N-CA 123.964 3.109 . . . . 10.0 114.323 -175.118 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1884 ' ' ALA . . . . . . . . . . . . . . . -123.18 149.26 44.85 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 126.956 2.102 . . . . 10.0 109.087 168.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1885 ' ' THR . . . . . . . . . . . . . 5.8 t -161.95 156.12 21.96 Favored 'General case' 0 N--CA 1.482 1.142 0 N-CA-C 115.243 1.571 . . . . 10.0 115.243 -168.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1886 ' ' PHE . . . . . . . . . . . . . 47.0 p90 -152.9 177.24 10.97 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 124.52 1.128 . . . . 10.0 113.314 -177.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1887 ' ' THR . . . . . . . . . . . . . 88.8 m -127.55 141.05 51.75 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.41 1.484 . . . . 10.0 110.233 -171.355 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1888 ' ' VAL . . . . . . . . . . . . . 1.2 m -137.56 63.09 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 C-N-CA 127.775 2.43 . . . . 10.0 108.542 -175.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1889 ' ' ASN . . . . . . . . . . . . . 63.9 t-20 -62.04 101.62 0.23 Allowed 'General case' 0 C--N 1.317 -0.832 0 C-N-CA 128.454 2.702 . . . . 10.0 111.796 -175.489 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 17.0 p -66.52 -27.22 67.59 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 126.118 1.767 . . . . 10.0 114.844 179.156 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1891 ' ' LYS . . . . . . . . . . . . . 54.6 mttp 58.17 -68.22 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 127.864 2.466 . . . . 10.0 113.438 -170.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 29.7 t70 -140.94 8.11 2.08 Favored 'General case' 0 CA--C 1.561 1.373 0 C-N-CA 126.97 2.108 . . . . 10.0 112.782 171.206 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1893 ' ' ALA . . . . . . . . . . . . . . . -67.81 71.9 0.15 Allowed 'General case' 0 CA--C 1.555 1.139 0 C-N-CA 129.006 2.923 . . . . 10.0 113.707 178.1 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 1.814 0 C-N-CA 125.546 1.546 . . . . 10.0 116.053 176.232 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A 1898 ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.543 0.706 0 N-CA-C 109.316 -0.624 . . . . 10.0 109.316 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1899 ' ' SER . . . . . . . . . . . . . 59.6 m -130.49 145.61 51.88 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 127.751 2.42 . . . . 10.0 110.542 176.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1900 ' ' LEU . . . . . . . . . . . . . 4.6 pp -152.56 169.91 21.47 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 115.104 1.52 . . . . 10.0 115.104 177.18 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1901 ' ' ALA . . . . . . . . . . . . . . . -153.79 170.43 20.98 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 126.375 1.87 . . . . 10.0 112.462 168.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1902 ' ' ILE . . . . . . . . . . . . . 2.7 mp -121.26 139.4 48.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 125.394 1.478 . . . . 10.0 108.875 172.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1903 ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -117.46 167.34 11.36 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 127.104 2.162 . . . . 10.0 110.827 170.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1904 ' ' GLY . . . . . . . . . . . . . . . 166.5 -170.21 40.95 Favored Glycine 0 CA--C 1.541 1.713 0 O-C-N 120.938 -1.102 . . . . 10.0 112.172 -178.076 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1905 ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -69.54 -16.8 38.69 Favored 'Trans proline' 0 CA--C 1.543 0.946 0 C-N-CA 123.554 2.836 . . . . 10.0 113.653 168.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1906 ' ' SER . . . . . . . . . . . . . 23.0 t -146.63 174.49 11.38 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 127.574 2.35 . . . . 10.0 110.357 -168.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1907 ' ' LYS . . . . . . . . . . . . . 58.3 mtmt -126.94 107.38 10.03 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.423 1.489 . . . . 10.0 111.721 -170.376 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1908 ' ' ALA . . . . . . . . . . . . . . . -69.8 160.82 31.02 Favored 'General case' 0 CA--C 1.557 1.239 0 C-N-CA 126.922 2.089 . . . . 10.0 113.741 -178.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1909 ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -86.23 96.84 10.07 Favored 'General case' 0 C--O 1.238 0.468 0 O-C-N 121.066 -1.021 . . . . 10.0 110.535 171.208 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1910 ' ' ILE . . . . . . . . . . . . . 58.2 mt -87.26 139.47 17.28 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 126.086 1.754 . . . . 10.0 111.035 -175.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1911 ' ' SER . . . . . . . . . . . . . 8.1 t -150.62 172.64 15.21 Favored 'General case' 0 CA--C 1.557 1.231 0 C-N-CA 125.784 1.633 . . . . 10.0 111.182 172.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1912 ' ' CYS . . . . . . . . . . . . . 30.4 p -137.78 161.45 36.54 Favored 'General case' 0 N--CA 1.479 1.007 0 O-C-N 119.797 -1.814 . . . . 10.0 112.815 -176.211 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1913 ' ' THR . . . . . . . . . . . . . 26.8 m -102.76 114.53 28.86 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.23 1.412 . . . . 10.0 111.174 -170.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1914 ' ' ASP . . . . . . . . . . . . . 36.5 m-20 -65.77 115.46 5.93 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 124.619 1.167 . . . . 10.0 111.84 170.399 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1915 ' ' ASN . . . . . . . . . . . . . 49.4 t-20 -147.23 142.55 27.36 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.692 1.197 . . . . 10.0 111.131 175.415 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1916 ' ' GLN . . . . . . . . . . . . . 29.9 tp60 -68.25 -12.77 61.55 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 124.939 1.296 . . . . 10.0 113.364 176.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1917 ' ' ASP . . . . . . . . . . . . . 20.5 t70 -72.9 -14.79 61.55 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 125.202 1.401 . . . . 10.0 113.682 178.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1918 ' ' GLY . . . . . . . . . . . . . . . 82.59 12.18 80.62 Favored Glycine 0 CA--C 1.534 1.232 0 C-N-CA 125.47 1.509 . . . . 10.0 115.447 171.395 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1919 ' ' THR . . . . . . . . . . . . . 61.1 p -64.39 168.69 5.44 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 125.263 1.425 . . . . 10.0 112.087 171.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1920 ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -115.81 36.2 4.11 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.761 0.824 . . . . 10.0 111.52 173.497 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1921 ' ' SER . . . . . . . . . . . . . 72.3 m -55.35 123.55 14.2 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 124.797 1.239 . . . . 10.0 111.489 -172.253 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1922 ' ' VAL . . . . . . . . . . . . . 3.4 t -125.51 135.04 65.21 Favored 'Isoleucine or valine' 0 C--O 1.24 0.605 0 C-N-CA 124.711 1.204 . . . . 10.0 112.33 -168.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1923 ' ' SER . . . . . . . . . . . . . 65.1 p -110.3 155.74 21.67 Favored 'General case' 0 C--O 1.242 0.671 0 C-N-CA 125.08 1.352 . . . . 10.0 111.258 169.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1924 ' ' TYR . . . . . . . . . . . . . 18.9 p90 -145.84 166.6 25.46 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 125.809 1.644 . . . . 10.0 110.509 173.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1925 ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -145.18 93.99 5.36 Favored Pre-proline 0 CA--C 1.544 0.716 0 O-C-N 120.695 -1.253 . . . . 10.0 109.166 -171.28 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1926 ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -70.18 121.24 7.85 Favored 'Trans proline' 0 C--N 1.354 0.84 0 C-N-CA 123.064 2.51 . . . . 10.0 110.982 -179.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1927 ' ' VAL . . . . . . . . . . . . . 26.9 m -78.32 -18.39 13.59 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 N-CA-C 113.946 1.091 . . . . 10.0 113.946 176.058 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1928 ' ' LEU . . . . . . . . . . . . . 22.6 mt -141.52 156.39 66.74 Favored Pre-proline 0 CA--C 1.551 1.0 0 C-N-CA 126.023 1.729 . . . . 10.0 111.704 179.232 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1929 ' ' PRO . . . . . . . . . . . . . 8.9 Cg_exo -62.03 159.87 32.38 Favored 'Trans proline' 0 C--N 1.357 0.974 0 C-N-CA 123.643 2.895 . . . . 10.0 113.334 174.205 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1930 ' ' GLY . . . . . . . . . . . . . . . 161.07 179.0 35.53 Favored Glycine 0 CA--C 1.534 1.26 0 N-CA-C 115.137 0.815 . . . . 10.0 115.137 174.229 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1931 ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -99.09 77.21 2.15 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 126.981 2.113 . . . . 10.0 109.679 173.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1932 ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -73.36 158.02 35.84 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.365 0.666 . . . . 10.0 110.607 -176.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1933 ' ' SER . . . . . . . . . . . . . 44.2 t -128.05 141.98 51.35 Favored 'General case' 0 N--CA 1.477 0.89 0 O-C-N 120.462 -1.399 . . . . 10.0 111.167 177.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1934 ' ' ILE . . . . . . . . . . . . . 2.2 mm -113.07 104.37 16.92 Favored 'Isoleucine or valine' 0 C--N 1.345 0.395 0 C-N-CA 125.238 1.415 . . . . 10.0 109.126 -176.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1935 ' ' LEU . . . . . . . . . . . . . 2.9 mm? -92.23 98.11 11.31 Favored 'General case' 0 C--N 1.317 -0.822 0 C-N-CA 126.131 1.772 . . . . 10.0 108.109 -176.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1936 ' ' VAL . . . . . . . . . . . . . 21.2 t -108.9 132.63 56.4 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.284 0 CA-C-N 118.653 0.661 . . . . 10.0 110.72 178.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1937 ' ' LYS . . . . . . . . . . . . . 82.9 mttt -124.78 154.67 40.58 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 128.421 2.688 . . . . 10.0 112.341 179.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1938 ' ' TYR . . . . . . . . . . . . . 35.2 t80 -145.44 120.57 10.13 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.241 1.417 . . . . 10.0 109.914 168.185 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1939 ' ' ASN . . . . . . . . . . . . . 1.3 t30 52.2 73.07 0.35 Allowed 'General case' 0 CA--C 1.554 1.125 0 C-N-CA 125.703 1.601 . . . . 10.0 112.359 -173.164 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1940 ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 69.86 -16.72 0.27 Allowed 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 129.816 3.246 . . . . 10.0 117.178 173.345 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1941 ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -132.77 160.62 36.31 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 125.206 1.403 . . . . 10.0 111.933 -172.285 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1942 ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -65.41 146.33 55.02 Favored 'General case' 0 C--O 1.242 0.661 0 N-CA-C 114.426 1.269 . . . . 10.0 114.426 -173.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1943 ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -67.79 166.41 23.23 Favored Pre-proline 0 N--CA 1.474 0.752 0 C-N-CA 128.609 2.763 . . . . 10.0 112.923 -177.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1944 ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -57.91 108.67 0.4 Allowed 'Trans proline' 0 CA--C 1.549 1.225 0 C-N-CA 124.472 3.448 . . . . 10.0 111.563 177.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1945 ' ' GLY . . . . . . . . . . . . . . . 92.27 -5.54 78.05 Favored Glycine 0 CA--C 1.546 2.023 0 C-N-CA 126.304 1.907 . . . . 10.0 116.4 -179.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1946 ' ' SER . . . . . . . . . . . . . 2.0 m -67.87 161.83 63.69 Favored Pre-proline 0 CA--C 1.543 0.677 0 CA-C-N 119.325 1.563 . . . . 10.0 112.571 176.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1947 ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -73.6 170.48 70.13 Favored 'Cis proline' 0 C--N 1.357 0.979 0 C-N-CA 125.506 -0.623 . . . . 10.0 113.1 -10.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1948 ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -111.27 164.56 12.77 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.058 0.943 . . . . 10.0 111.424 175.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1949 ' ' THR . . . . . . . . . . . . . 86.6 m -141.29 126.65 18.69 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 125.304 1.442 . . . . 10.0 109.922 -179.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1950 ' ' ALA . . . . . . . . . . . . . . . -125.65 114.03 18.15 Favored 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 125.902 1.681 . . . . 10.0 111.5 -171.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1951 ' ' ARG . . . . . . . . . . . . . 18.9 ttp-105 -80.31 94.65 6.15 Favored 'General case' 0 N--CA 1.482 1.148 0 CA-C-O 122.953 1.359 . . . . 10.0 112.055 176.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1952 ' ' VAL . . . . . . . . . . . . . 2.8 t -59.0 109.77 0.41 Allowed 'Isoleucine or valine' 0 C--O 1.242 0.706 0 C-N-CA 125.684 1.594 . . . . 10.0 110.793 166.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1953 ' ' THR . . . . . . . . . . . . . 33.9 p -58.15 -68.92 0.2 Allowed 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 126.068 1.747 . . . . 10.0 114.555 -168.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1954 ' ' GLY . . . . . . . . . . . . . . . 90.03 148.84 20.67 Favored Glycine 0 CA--C 1.529 0.925 0 C-N-CA 127.505 2.479 . . . . 10.0 114.956 -179.214 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1955 ' ' ASP . . . . . . . . . . . . . 27.1 t70 -82.11 -20.0 38.97 Favored 'General case' 0 CA--C 1.552 1.028 0 C-N-CA 124.36 1.064 . . . . 10.0 112.331 179.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1956 ' ' ASP . . . . . . . . . . . . . 35.2 t70 . . . . . 0 C--O 1.259 1.564 0 C-N-CA 124.999 1.32 . . . . 10.0 112.628 -176.999 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A 1868 ' ' VAL . . . . . . . . . . . . . 9.1 p . . . . . 0 N--CA 1.479 1.004 0 CA-C-O 121.938 0.875 . . . . 10.0 112.95 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A 1869 ' ' THR . . . . . . . . . . . . . 5.7 m -161.49 138.76 8.78 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 128.582 2.753 . . . . 10.0 108.62 171.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1870 ' ' ALA . . . . . . . . . . . . . . . -74.41 146.76 42.65 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 113.095 0.776 . . . . 10.0 113.095 -178.162 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1871 ' ' TYR . . . . . . . . . . . . . 26.8 p90 -153.53 147.64 25.66 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.69 1.596 . . . . 10.0 112.128 172.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1872 ' ' GLY . . . . . . . . . . . . . . . 156.21 172.47 23.66 Favored Glycine 0 CA--C 1.534 1.276 0 C-N-CA 124.261 0.934 . . . . 10.0 114.149 -176.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1873 ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -70.36 -35.69 10.48 Favored 'Trans proline' 0 N--CA 1.471 0.192 0 C-N-CA 122.597 2.198 . . . . 10.0 112.988 -171.201 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1874 ' ' GLY . . . . . . . . . . . . . . . -68.24 -22.8 74.7 Favored Glycine 0 C--N 1.356 1.683 0 O-C-N 120.775 -1.203 . . . . 10.0 115.046 -174.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1875 ' ' LEU . . . . . . . . . . . . . 50.1 mt -71.35 -15.33 62.38 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 114.121 1.156 . . . . 10.0 114.121 -174.1 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1876 ' ' THR . . . . . . . . . . . . . 42.1 p -114.14 -45.23 3.07 Favored 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 124.797 1.239 . . . . 10.0 111.295 177.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1877 ' ' HIS . . . . . . . . . . . . . 47.9 m80 -134.14 113.94 12.59 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 124.422 1.089 . . . . 10.0 110.53 -178.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1878 ' ' GLY . . . . . . . . . . . . . . . -83.01 -178.27 52.29 Favored Glycine 0 CA--C 1.552 2.365 0 C-N-CA 125.254 1.407 . . . . 10.0 112.749 173.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1879 ' ' VAL . . . . . . . . . . . . . 21.7 t -145.39 103.25 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 N-CA-C 106.306 -1.738 . . . . 10.0 106.306 177.278 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1880 ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -65.74 142.04 17.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 C-N-CA 119.568 -0.853 . . . . 10.0 111.372 -169.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1881 ' ' ASN . . . . . . . . . . . . . 68.5 m-80 62.45 10.39 3.95 Favored 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 126.017 1.727 . . . . 10.0 115.578 -173.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1882 ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -128.12 141.54 41.61 Favored Pre-proline 0 N--CA 1.494 1.758 0 CA-C-N 120.533 1.515 . . . . 10.0 111.322 169.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1883 ' ' PRO . . . . . . . . . . . . . 81.4 Cg_exo -51.74 121.77 9.22 Favored 'Trans proline' 0 CA--C 1.535 0.553 0 C-N-CA 123.74 2.96 . . . . 10.0 114.196 -175.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1884 ' ' ALA . . . . . . . . . . . . . . . -93.94 155.32 17.22 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 125.744 1.617 . . . . 10.0 111.003 169.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1885 ' ' THR . . . . . . . . . . . . . 37.4 p -149.89 150.57 32.12 Favored 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 114.239 1.199 . . . . 10.0 114.239 -169.05 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1886 ' ' PHE . . . . . . . . . . . . . 37.3 p90 -151.76 174.86 13.02 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 126.156 1.783 . . . . 10.0 111.421 168.047 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1887 ' ' THR . . . . . . . . . . . . . 94.6 m -126.69 145.01 50.75 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 126.81 2.044 . . . . 10.0 111.438 175.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1888 ' ' VAL . . . . . 0.452 ' CG1' ' HB3' ' A' 1920 ' ' CYS 0.398 2.5 p -136.72 94.17 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 CA-C-O 122.758 1.266 . . . . 10.0 112.411 177.592 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A 1889 ' ' ASN . . . . . . . . . . . . . 2.2 t30 -68.97 102.45 1.6 Allowed 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 128.133 2.573 . . . . 10.0 110.531 -177.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 26.4 p -77.08 8.51 3.82 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 115.881 1.808 . . . . 10.0 115.881 179.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1891 ' ' LYS . . . . . . . . . . . . . 89.8 mttt -60.95 150.38 33.52 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-N 120.471 1.487 . . . . 10.0 112.027 179.319 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 18.2 t70 60.84 -8.59 0.07 Allowed 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 129.446 3.098 . . . . 10.0 116.139 179.512 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1893 ' ' ALA . . . . . . . . . . . . . . . -65.66 -24.16 66.96 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 127.279 2.232 . . . . 10.0 115.405 179.001 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.457 0 C-N-CA 125.525 1.536 . . . . 10.0 111.592 -171.313 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A 1898 ' ' LEU . . . . . . . . . . . . . 5.6 tt . . . . . 0 CA--C 1.551 0.983 0 CA-C-O 121.349 0.595 . . . . 10.0 110.39 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A 1899 ' ' SER . . . . . . . . . . . . . 39.2 m -135.5 153.19 51.81 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 126.52 1.928 . . . . 10.0 112.103 -179.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1900 ' ' LEU . . . . . . . . . . . . . 67.2 mt -124.78 161.23 26.89 Favored 'General case' 0 C--O 1.239 0.51 0 N-CA-C 114.236 1.198 . . . . 10.0 114.236 175.153 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1901 ' ' ALA . . . . . . . . . . . . . . . -151.37 162.14 41.45 Favored 'General case' 0 CA--C 1.557 1.219 0 C-N-CA 126.469 1.907 . . . . 10.0 108.94 164.25 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1902 ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -131.1 140.76 47.79 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.096 0 C-N-CA 124.61 1.164 . . . . 10.0 109.714 174.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1903 ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -122.68 168.13 12.58 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 126.81 2.044 . . . . 10.0 110.359 170.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1904 ' ' GLY . . . . . . . . . . . . . . . 155.13 -161.46 30.41 Favored Glycine 0 CA--C 1.541 1.714 0 C-N-CA 125.329 1.443 . . . . 10.0 112.606 -173.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1905 ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -71.38 -20.69 27.33 Favored 'Trans proline' 0 CA--C 1.545 1.03 0 CA-C-N 119.646 1.723 . . . . 10.0 112.126 170.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1906 ' ' SER . . . . . . . . . . . . . 8.5 t -155.98 -176.54 6.01 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 129.926 3.29 . . . . 10.0 108.013 -168.149 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1907 ' ' LYS . . . . . . . . . . . . . 56.1 mttm -134.11 173.46 11.57 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 125.56 1.544 . . . . 10.0 112.636 -173.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1908 ' ' ALA . . . . . . . . . . . . . . . -133.33 153.91 51.17 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 126.32 1.848 . . . . 10.0 112.547 -173.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1909 ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -75.9 89.03 2.91 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.492 0.717 . . . . 10.0 111.571 176.244 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1910 ' ' ILE . . . . . . . . . . . . . 32.8 mt -64.46 113.14 1.65 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 123.714 0.806 . . . . 10.0 111.315 177.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1911 ' ' SER . . . . . . . . . . . . . 71.0 m -130.95 92.48 3.23 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.887 1.675 . . . . 10.0 112.128 173.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1912 ' ' CYS . . . . . . . . . . . . . 34.6 m -63.83 159.29 19.87 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 124.88 1.272 . . . . 10.0 111.103 168.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1913 ' ' THR . . . . . 0.449 ' HB ' ' HB3' ' A' 1921 ' ' SER . 22.3 m -132.55 93.16 3.18 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 121.522 -0.736 . . . . 10.0 109.486 167.8 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1914 ' ' ASP . . . . . . . . . . . . . 28.0 t70 -54.36 126.28 22.67 Favored 'General case' 0 CA--C 1.554 1.096 0 C-N-CA 126.467 1.907 . . . . 10.0 112.289 -178.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1915 ' ' ASN . . . . . . . . . . . . . 63.3 t-20 -136.28 130.98 33.83 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 125.914 1.686 . . . . 10.0 109.535 177.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1916 ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -60.94 -9.5 4.33 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 114.364 1.246 . . . . 10.0 114.364 174.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1917 ' ' ASP . . . . . . . . . . . . . 24.9 t70 -70.17 -10.68 59.58 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 124.797 1.239 . . . . 10.0 112.261 169.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1918 ' ' GLY . . . . . . . . . . . . . . . 88.9 38.1 7.03 Favored Glycine 0 CA--C 1.536 1.386 0 C-N-CA 126.037 1.78 . . . . 10.0 114.559 176.225 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1919 ' ' THR . . . . . . . . . . . . . 75.2 p -126.68 144.99 50.75 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 125.235 1.414 . . . . 10.0 113.146 -175.041 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1920 ' ' CYS . . . . . 0.452 ' HB3' ' CG1' ' A' 1888 ' ' VAL . 9.7 p -79.15 -24.18 43.48 Favored 'General case' 0 N--CA 1.483 1.177 0 N-CA-C 115.724 1.75 . . . . 10.0 115.724 -175.023 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1921 ' ' SER . . . . . 0.449 ' HB3' ' HB ' ' A' 1913 ' ' THR . 22.9 t 22.63 58.0 0.03 OUTLIER 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 130.586 3.555 . . . . 10.0 112.416 -164.661 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1922 ' ' VAL . . . . . . . . . . . . . 75.6 t -78.06 103.83 5.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 125.819 1.648 . . . . 10.0 109.932 -175.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1923 ' ' SER . . . . . . . . . . . . . 74.4 m -96.21 111.52 23.55 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.472 1.109 . . . . 10.0 109.294 168.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1924 ' ' TYR . . . . . . . . . . . . . 13.8 p90 -120.33 163.35 17.96 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.648 1.179 . . . . 10.0 110.243 178.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1925 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -142.74 93.14 6.89 Favored Pre-proline 0 CA--C 1.554 1.118 0 O-C-N 121.017 -1.052 . . . . 10.0 112.683 -171.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1926 ' ' PRO . . . . . . . . . . . . . 86.8 Cg_endo -72.41 152.63 55.06 Favored 'Trans proline' 0 CA--C 1.536 0.6 0 C-N-CA 123.866 3.044 . . . . 10.0 111.606 176.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1927 ' ' VAL . . . . . . . . . . . . . 35.1 m -122.35 -15.55 6.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 N-CA-C 115.797 1.776 . . . . 10.0 115.797 -168.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1928 ' ' LEU . . . . . . . . . . . . . 6.0 tt -140.03 122.88 10.19 Favored Pre-proline 0 CA--C 1.549 0.906 0 C-N-CA 124.715 1.206 . . . . 10.0 112.263 179.416 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1929 ' ' PRO . . . . . . . . . . . . . 88.0 Cg_exo -46.59 127.91 12.21 Favored 'Trans proline' 0 CA--C 1.537 0.654 0 C-N-CA 125.101 3.867 . . . . 10.0 114.218 -176.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1930 ' ' GLY . . . . . . . . . . . . . . . 179.05 178.66 48.4 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 115.174 0.829 . . . . 10.0 115.174 -170.04 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1931 ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -95.19 106.02 18.0 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.138 1.375 . . . . 10.0 110.222 172.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1932 ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -101.08 105.92 17.14 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.884 1.274 . . . . 10.0 109.441 -175.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1933 ' ' SER . . . . . . . . . . . . . 67.5 m -79.23 117.98 20.74 Favored 'General case' 0 N--CA 1.478 0.927 0 O-C-N 121.542 -0.724 . . . . 10.0 110.875 174.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1934 ' ' ILE . . . . . . . . . . . . . 7.0 mm -80.52 123.8 37.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 N-CA-C 107.445 -1.317 . . . . 10.0 107.445 170.142 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1935 ' ' LEU . . . . . . . . . . . . . 3.0 mm? -97.58 91.18 5.31 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 126.063 1.745 . . . . 10.0 108.389 170.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1936 ' ' VAL . . . . . . . . . . . . . 37.3 t -86.61 130.85 36.08 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 N-CA-C 108.767 -0.827 . . . . 10.0 108.767 174.247 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1937 ' ' LYS . . . . . . . . . . . . . 98.4 mttt -127.92 139.47 52.58 Favored 'General case' 0 C--O 1.232 0.162 0 C-N-CA 125.261 1.424 . . . . 10.0 111.742 -176.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1938 ' ' TYR . . . . . . . . . . . . . 25.0 t80 -126.73 115.36 19.29 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 125.358 1.463 . . . . 10.0 109.347 171.037 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1939 ' ' ASN . . . . . . . . . . . . . 8.6 t-20 52.64 57.51 6.32 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 126.038 1.735 . . . . 10.0 112.722 -170.208 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1940 ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 63.02 -8.18 0.13 Allowed 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 128.629 2.772 . . . . 10.0 117.374 178.246 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1941 ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -101.16 144.43 30.06 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.455 1.502 . . . . 10.0 110.267 176.298 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1942 ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -68.1 148.58 50.76 Favored 'General case' 0 CA--C 1.542 0.655 0 O-C-N 121.354 -0.841 . . . . 10.0 112.306 -177.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1943 ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -68.45 166.98 20.85 Favored Pre-proline 0 CA--C 1.546 0.822 0 C-N-CA 126.488 1.915 . . . . 10.0 113.195 -177.242 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1944 ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -64.5 -8.14 16.31 Favored 'Trans proline' 0 C--N 1.354 0.855 1 C-N-CA 126.341 4.694 . . . . 10.0 117.616 -173.123 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1945 ' ' GLY . . . . . . . . . . . . . . . -127.13 -4.22 6.03 Favored Glycine 0 CA--C 1.534 1.267 0 C-N-CA 127.688 2.565 . . . . 10.0 115.191 178.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1946 ' ' SER . . . . . . . . . . . . . 5.4 m -71.07 148.76 94.45 Favored Pre-proline 0 N--CA 1.481 1.107 0 CA-C-N 119.565 1.683 . . . . 10.0 113.188 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1947 ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -74.85 161.46 94.74 Favored 'Cis proline' 0 C--N 1.363 1.301 0 CA-C-N 119.567 0.881 . . . . 10.0 111.363 -4.296 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1948 ' ' PHE . . . . . . . . . . . . . 81.0 m-85 -109.9 96.36 6.19 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 124.508 1.123 . . . . 10.0 109.162 173.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1949 ' ' THR . . . . . . . . . . . . . 17.6 m -79.22 86.77 4.97 Favored 'General case' 0 C--O 1.241 0.643 0 C-N-CA 125.765 1.626 . . . . 10.0 110.527 -175.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1950 ' ' ALA . . . . . . . . . . . . . . . -75.3 152.06 38.25 Favored 'General case' 0 N--CA 1.446 -0.643 0 C-N-CA 123.866 0.867 . . . . 10.0 111.005 173.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1951 ' ' ARG . . . . . . . . . . . . . 53.6 ttt85 -122.79 96.52 5.05 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-O 121.963 0.887 . . . . 10.0 111.5 173.517 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1952 ' ' VAL . . . . . . . . . . . . . 6.2 t -67.11 106.66 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.314 -0.952 0 C-N-CA 131.08 3.752 . . . . 10.0 111.714 176.101 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1953 ' ' THR . . . . . . . . . . . . . 68.1 p -80.01 153.89 28.55 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 124.498 1.119 . . . . 10.0 111.845 -178.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1954 ' ' GLY . . . . . . . . . . . . . . . -82.8 46.9 3.69 Favored Glycine 0 N--CA 1.468 0.784 0 C-N-CA 126.704 2.097 . . . . 10.0 113.156 -178.44 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1955 ' ' ASP . . . . . . . . . . . . . 27.0 t70 -63.62 -32.6 74.12 Favored 'General case' 0 N--CA 1.48 1.07 0 O-C-N 121.277 -1.131 . . . . 10.0 113.94 -175.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1956 ' ' ASP . . . . . . . . . . . . . 33.6 t70 . . . . . 0 C--O 1.253 1.283 0 C-N-CA 126.131 1.773 . . . . 10.0 113.141 -179.269 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A 1868 ' ' VAL . . . . . . . . . . . . 0.285 8.9 p . . . . . 0 CA--C 1.554 1.128 0 N-CA-C 115.016 1.487 . . . . 10.0 115.016 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1869 ' ' THR . . . . . . . . . . . . . 3.3 m -143.2 133.41 24.49 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 125.494 1.518 . . . . 10.0 107.477 172.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1870 ' ' ALA . . . . . . . . . . . . . . . -72.13 155.57 40.12 Favored 'General case' 0 CA--C 1.549 0.904 0 CA-C-O 122.184 0.993 . . . . 10.0 112.012 -176.147 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1871 ' ' TYR . . . . . . . . . . . . . 20.2 p90 -148.74 152.41 36.55 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 126.816 2.046 . . . . 10.0 110.98 175.523 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1872 ' ' GLY . . . . . . . . . . . . . . . 142.44 168.71 11.89 Favored Glycine 0 N--CA 1.474 1.209 0 C-N-CA 125.214 1.388 . . . . 10.0 112.629 -176.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1873 ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo -70.55 -29.58 19.87 Favored 'Trans proline' 0 C--N 1.35 0.657 0 C-N-CA 123.1 2.533 . . . . 10.0 113.57 -178.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1874 ' ' GLY . . . . . . . . . . . . . . . -66.01 -12.9 58.68 Favored Glycine 0 C--N 1.35 1.333 0 N-CA-C 116.396 1.318 . . . . 10.0 116.396 -176.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1875 ' ' LEU . . . . . . . . . . . . . 18.7 mt -87.45 -14.91 39.19 Favored 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 113.286 0.847 . . . . 10.0 113.286 177.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1876 ' ' THR . . . . . . . . . . . . . 42.2 p -127.72 -31.4 2.45 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 125.173 1.389 . . . . 10.0 113.258 -174.257 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1877 ' ' HIS . . . . . . . . . . . . . 27.1 m-70 -138.06 -178.58 5.33 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 127.045 2.138 . . . . 10.0 111.691 173.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1878 ' ' GLY . . . . . . . . . . . . . . . -166.7 175.31 42.05 Favored Glycine 0 CA--C 1.537 1.444 0 C-N-CA 124.406 1.003 . . . . 10.0 112.78 179.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1879 ' ' VAL . . . . . . . . . . . . . 9.1 t -133.23 117.64 29.24 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 124.708 1.203 . . . . 10.0 110.073 172.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1880 ' ' VAL . . . . . . . . . . . . . 72.8 t -61.39 135.95 25.48 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.25 0 C-N-CA 123.779 0.832 . . . . 10.0 110.123 179.57 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1881 ' ' ASN . . . . . . . . . . . . . 80.1 m-20 54.34 21.43 3.18 Favored 'General case' 0 CA--C 1.553 1.075 0 N-CA-C 116.568 2.062 . . . . 10.0 116.568 -176.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1882 ' ' LYS . . . . . . . . . . . . . 14.8 tppt? -135.09 144.22 49.24 Favored Pre-proline 0 CA--C 1.549 0.909 0 C-N-CA 125.103 1.361 . . . . 10.0 109.433 168.36 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1883 ' ' PRO . . . . . . . . . . . . . 67.7 Cg_exo -56.67 135.64 71.64 Favored 'Trans proline' 0 CA--C 1.54 0.776 0 C-N-CA 123.506 2.804 . . . . 10.0 114.48 -168.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1884 ' ' ALA . . . . . . . . . . . . . . . -111.45 145.61 38.67 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.048 1.339 . . . . 10.0 111.204 172.011 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1885 ' ' THR . . . . . . . . . . . . . 71.1 p -148.99 159.3 44.34 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 125.639 1.576 . . . . 10.0 113.94 -170.251 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1886 ' ' PHE . . . . . . . . . . . . . 31.9 p90 -154.93 175.85 13.26 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 126.824 2.05 . . . . 10.0 111.896 167.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1887 ' ' THR . . . . . . . . . . . . . 55.4 m -134.1 145.54 49.44 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 127.386 2.274 . . . . 10.0 109.421 -174.316 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1888 ' ' VAL . . . . . . . . . . . . . 10.2 p -149.49 86.33 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 CA-C-N 120.298 1.408 . . . . 10.0 114.329 -179.143 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1889 ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -84.0 111.39 19.24 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.536 1.134 . . . . 10.0 113.597 -169.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 22.9 p -90.57 98.02 11.53 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 126.647 1.979 . . . . 10.0 111.115 -178.267 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1891 ' ' LYS . . . . . . . . . . . . . 5.4 mtpm? -91.66 -85.96 0.23 Allowed 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 126.173 1.789 . . . . 10.0 111.322 -178.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 33.4 t70 -75.57 -31.82 60.14 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.562 1.145 . . . . 10.0 113.516 -171.051 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1893 ' ' ALA . . . . . . . . . . . . . . . -70.24 -27.28 64.33 Favored 'General case' 0 CA--C 1.55 0.977 0 N-CA-C 114.849 1.426 . . . . 10.0 114.849 -170.171 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.8 0 C-N-CA 124.724 1.154 . . . . 10.0 112.845 -175.321 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A 1898 ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.474 0.752 0 N-CA-C 113.611 0.967 . . . . 10.0 113.611 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1899 ' ' SER . . . . . . . . . . . . . 4.9 t -154.74 165.53 36.3 Favored 'General case' 0 N--CA 1.476 0.855 0 O-C-N 120.812 -1.18 . . . . 10.0 111.995 176.36 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1900 ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -160.76 168.21 25.27 Favored 'General case' 0 N--CA 1.441 -0.918 0 C-N-CA 124.101 0.96 . . . . 10.0 113.531 -167.176 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1901 ' ' ALA . . . . . . . . . . . . . . . -150.59 167.56 26.91 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 126.023 1.729 . . . . 10.0 111.012 169.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1902 ' ' ILE . . . . . . . . . . . . . 3.6 mp -123.01 125.88 72.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 C-N-CA 126.011 1.724 . . . . 10.0 108.931 172.214 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1903 ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -123.35 175.68 6.58 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 127.297 2.239 . . . . 10.0 110.888 173.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1904 ' ' GLY . . . . . . . . . . . . . . . 166.25 -154.99 25.92 Favored Glycine 0 CA--C 1.542 1.758 0 O-C-N 120.944 -1.097 . . . . 10.0 111.041 -176.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1905 ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -71.33 -13.41 30.66 Favored 'Trans proline' 0 CA--C 1.537 0.63 0 C-N-CA 122.359 2.039 . . . . 10.0 113.028 170.142 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1906 ' ' SER . . . . . . . . . . . . . 14.4 t -153.24 170.62 20.14 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 128.699 2.8 . . . . 10.0 109.635 -169.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1907 ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -91.55 166.28 12.91 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-O 122.056 0.931 . . . . 10.0 112.026 176.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1908 ' ' ALA . . . . . . . . . . . . . . . -139.27 119.98 14.21 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 126.002 1.721 . . . . 10.0 108.62 172.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1909 ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -62.76 122.99 17.27 Favored 'General case' 0 N--CA 1.468 0.465 0 O-C-N 120.792 -1.192 . . . . 10.0 110.361 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1910 ' ' ILE . . . . . . . . . . . . . 47.2 mt -100.13 133.85 41.74 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 C-N-CA 124.471 1.108 . . . . 10.0 111.019 -173.38 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1911 ' ' SER . . . . . . . . . . . . . 38.9 m -125.29 157.92 35.44 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 126.331 1.852 . . . . 10.0 112.418 170.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1912 ' ' CYS . . . . . . . . . . . . . 29.9 p -141.8 179.41 6.87 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 127.187 2.195 . . . . 10.0 110.709 176.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1913 ' ' THR . . . . . . . . . . . . . 30.1 m -136.95 156.98 47.76 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 127.066 2.146 . . . . 10.0 110.668 179.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1914 ' ' ASP . . . . . . . . . . . . . 8.5 t70 -60.1 104.29 0.3 Allowed 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 124.359 1.063 . . . . 10.0 110.324 175.473 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1915 ' ' ASN . . . . . . . . . . . . . 18.8 p-10 -75.51 54.69 0.77 Allowed 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 127.495 2.318 . . . . 10.0 115.255 -167.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1916 ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -60.38 -18.39 50.04 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 124.968 1.307 . . . . 10.0 114.354 171.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1917 ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -93.93 2.03 56.2 Favored 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 126.326 1.851 . . . . 10.0 113.538 178.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1918 ' ' GLY . . . . . . . . . . . . . . . 71.53 34.69 63.21 Favored Glycine 0 CA--C 1.537 1.411 0 CA-C-N 119.448 1.022 . . . . 10.0 114.113 172.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1919 ' ' THR . . . . . . . . . . . . . 10.0 t -152.06 154.33 35.73 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.235 1.414 . . . . 10.0 112.318 179.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1920 ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -82.88 105.55 13.99 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 119.135 0.879 . . . . 10.0 111.497 179.732 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1921 ' ' SER . . . . . . . . . . . . . 68.6 m -79.06 59.5 2.71 Favored 'General case' 0 CA--C 1.551 0.992 0 CA-C-O 122.684 1.23 . . . . 10.0 111.843 177.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1922 ' ' VAL . . . . . . . . . . . . . 41.8 t -74.56 119.75 22.59 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 125.552 1.541 . . . . 10.0 111.493 -173.103 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1923 ' ' SER . . . . . . . . . . . . . 50.6 m -127.08 131.72 50.81 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 124.897 1.279 . . . . 10.0 110.571 176.004 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1924 ' ' TYR . . . . . . . . . . . . . 18.7 p90 -145.88 176.33 9.76 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.406 1.082 . . . . 10.0 111.169 -178.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1925 ' ' LEU . . . . . . . . . . . . . 1.3 mt -142.71 101.01 5.49 Favored Pre-proline 0 CA--C 1.557 1.219 0 C-N-CA 124.264 1.026 . . . . 10.0 109.789 -174.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1926 ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -70.86 132.17 21.06 Favored 'Trans proline' 0 C--N 1.353 0.78 0 C-N-CA 122.938 2.425 . . . . 10.0 111.741 174.139 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1927 ' ' VAL . . . . . . . . . . . . . 28.3 m -94.83 -17.17 7.18 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.392 0 N-CA-C 113.315 0.857 . . . . 10.0 113.315 -172.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1928 ' ' LEU . . . . . . . . . . . . . 15.8 mt -142.3 160.61 54.05 Favored Pre-proline 0 CA--C 1.547 0.836 0 C-N-CA 126.6 1.96 . . . . 10.0 111.101 172.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1929 ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -71.48 154.76 60.38 Favored 'Trans proline' 0 C--N 1.351 0.689 0 C-N-CA 124.079 3.186 . . . . 10.0 111.419 177.067 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1930 ' ' GLY . . . . . . . . . . . . . . . 167.53 179.14 40.14 Favored Glycine 0 CA--C 1.537 1.427 0 N-CA-C 116.288 1.275 . . . . 10.0 116.288 -175.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1931 ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -90.67 87.63 6.78 Favored 'General case' 0 C--O 1.245 0.833 0 C-N-CA 128.283 2.633 . . . . 10.0 108.602 171.068 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1932 ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -86.72 116.08 24.59 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 120.953 -1.092 . . . . 10.0 112.093 -174.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1933 ' ' SER . . . . . . . . . . . . . 61.6 m -78.39 128.5 33.73 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 123.73 0.812 . . . . 10.0 111.508 174.068 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1934 ' ' ILE . . . . . . . . . . . . . 7.8 mm -99.5 120.2 48.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 C-N-CA 126.49 1.916 . . . . 10.0 107.147 167.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1935 ' ' LEU . . . . . . . . . . . . . 2.6 mm? -106.74 66.54 0.69 Allowed 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 125.315 1.446 . . . . 10.0 110.172 -172.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1936 ' ' VAL . . . . . . . . . . . . . 59.7 t -74.53 133.53 31.35 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 O-C-N 121.142 -0.974 . . . . 10.0 111.746 177.123 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1937 ' ' LYS . . . . . . . . . . . . . 67.7 mttm -125.5 151.82 45.8 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 128.314 2.646 . . . . 10.0 113.402 177.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1938 ' ' TYR . . . . . . . . . . . . . 4.4 t80 -128.25 95.92 4.3 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 125.541 1.536 . . . . 10.0 109.709 169.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1939 ' ' ASN . . . . . . . . . . . . . 2.5 t30 52.51 78.4 0.13 Allowed 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 127.2 2.2 . . . . 10.0 112.648 -170.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1940 ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 70.78 -15.11 0.4 Allowed 'General case' 0 C--O 1.251 1.183 0 C-N-CA 129.764 3.226 . . . . 10.0 117.444 172.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1941 ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -118.76 147.26 44.06 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 125.949 1.7 . . . . 10.0 110.668 -177.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1942 ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -65.02 153.12 41.63 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-O 121.93 0.871 . . . . 10.0 113.289 -174.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1943 ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -71.29 167.38 30.24 Favored Pre-proline 0 CA--C 1.556 1.177 0 C-N-CA 126.492 1.917 . . . . 10.0 112.433 179.084 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1944 ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -61.67 97.19 0.14 Allowed 'Trans proline' 0 CA--C 1.536 0.617 0 C-N-CA 123.998 3.132 . . . . 10.0 112.504 -178.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1945 ' ' GLY . . . . . . . . . . . . . . . 98.88 -6.42 60.25 Favored Glycine 0 CA--C 1.539 1.583 0 CA-C-O 117.662 -1.632 . . . . 10.0 116.754 -176.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1946 ' ' SER . . . . . . . . . . . . . 39.3 m -70.04 156.09 92.37 Favored Pre-proline 0 CA--C 1.549 0.942 0 CA-C-N 119.836 1.818 . . . . 10.0 110.821 173.008 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1947 ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo -73.69 165.83 83.72 Favored 'Cis proline' 0 C--N 1.353 0.801 0 N-CA-C 114.545 0.941 . . . . 10.0 114.545 -2.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1948 ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -114.49 117.33 30.67 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 126.02 1.728 . . . . 10.0 111.808 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1949 ' ' THR . . . . . . . . . . . . . 46.5 m -92.24 97.32 10.82 Favored 'General case' 0 N--CA 1.481 1.121 0 O-C-N 120.812 -1.18 . . . . 10.0 112.177 -179.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1950 ' ' ALA . . . . . . . . . . . . . . . -83.36 152.96 24.82 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 124.501 1.12 . . . . 10.0 113.763 178.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1951 ' ' ARG . . . . . . . . . . . . . 40.9 mtt180 -123.65 83.44 2.14 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-O 123.32 1.534 . . . . 10.0 113.906 -177.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1952 ' ' VAL . . . . . . . . . . . . . 2.8 t -60.53 100.72 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.728 0 C-N-CA 130.046 3.338 . . . . 10.0 112.368 175.296 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1953 ' ' THR . . . . . . . . . . . . . 26.0 m -67.25 132.79 48.45 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.757 1.623 . . . . 10.0 110.815 175.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1954 ' ' GLY . . . . . . . . . . . . . . . -67.03 169.16 35.89 Favored Glycine 0 CA--C 1.542 1.73 0 N-CA-C 115.941 1.136 . . . . 10.0 115.941 -179.254 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1955 ' ' ASP . . . . . . . . . . . . . 32.8 t70 -139.79 -31.89 0.65 Allowed 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.453 1.501 . . . . 10.0 112.145 176.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1956 ' ' ASP . . . . . . . . . . . . . 6.2 p-10 . . . . . 0 C--O 1.252 1.193 0 C-N-CA 126.98 2.112 . . . . 10.0 114.026 179.952 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A 1868 ' ' VAL . . . . . . . . . . . . . 6.0 p . . . . . 0 N--CA 1.476 0.845 0 CA-C-O 121.431 0.634 . . . . 10.0 112.159 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A 1869 ' ' THR . . . . . . . . . . . . . 6.4 m -123.91 141.47 52.0 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 124.288 1.035 . . . . 10.0 109.133 -176.139 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1870 ' ' ALA . . . . . . . . . . . . . . . -122.43 127.13 49.27 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.204 1.001 . . . . 10.0 110.9 172.207 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1871 ' ' TYR . . . . . . . . . . . . . 39.1 p90 -156.05 174.49 15.28 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 126.559 1.943 . . . . 10.0 109.774 -171.127 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1872 ' ' GLY . . . . . . . . . . . . . . . 119.73 169.45 14.17 Favored Glycine 0 CA--C 1.536 1.385 0 O-C-N 121.051 -1.031 . . . . 10.0 114.57 174.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1873 ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -66.44 -29.62 44.98 Favored 'Trans proline' 0 CA--C 1.536 0.612 0 C-N-CA 122.754 2.303 . . . . 10.0 112.461 -173.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1874 ' ' GLY . . . . . . . . . . . . . . . -66.23 -0.73 8.1 Favored Glycine 0 N--CA 1.473 1.128 0 CA-C-O 118.716 -1.047 . . . . 10.0 115.399 175.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1875 ' ' LEU . . . . . . . . . . . . . 21.0 mt -107.65 -2.74 19.9 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-N 119.251 1.525 . . . . 10.0 113.74 171.308 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1876 ' ' THR . . . . . . . . . . . . . 60.2 p -134.13 -15.92 2.22 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 125.676 1.59 . . . . 10.0 114.551 -178.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1877 ' ' HIS . . . . . . . . . . . . . 2.7 t-80 -148.2 177.13 9.66 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 127.784 2.434 . . . . 10.0 112.697 178.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1878 ' ' GLY . . . . . . . . . . . . . . . -169.08 169.38 41.85 Favored Glycine 0 CA--C 1.54 1.633 0 C-N-CA 125.575 1.56 . . . . 10.0 113.417 179.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1879 ' ' VAL . . . . . . . . . . . . . 11.9 t -130.84 121.25 49.59 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 C-N-CA 125.61 1.564 . . . . 10.0 111.126 174.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1880 ' ' VAL . . . . . . . . . . . . . 28.6 t -69.12 133.68 31.46 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.385 0 O-C-N 120.687 -1.258 . . . . 10.0 111.036 178.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1881 ' ' ASN . . . . . . . . . . . . . 78.7 m-20 65.13 7.65 4.26 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 127.785 2.434 . . . . 10.0 116.086 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1882 ' ' LYS . . . . . . . . . . . . . 5.0 tmmm? -133.92 139.74 34.29 Favored Pre-proline 0 N--CA 1.484 1.255 0 CA-C-N 120.576 1.535 . . . . 10.0 111.715 169.285 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1883 ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -54.04 145.73 51.44 Favored 'Trans proline' 0 C--O 1.238 0.485 0 C-N-CA 123.502 2.801 . . . . 10.0 115.243 -169.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1884 ' ' ALA . . . . . . . . . . . . . . . -128.17 158.03 39.19 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 125.061 1.345 . . . . 10.0 111.251 174.103 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1885 ' ' THR . . . . . . . . . . . . . 74.5 p -143.25 157.68 44.28 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.828 1.251 . . . . 10.0 114.282 -172.006 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1886 ' ' PHE . . . . . . . . . . . . . 43.6 p90 -150.96 169.7 21.13 Favored 'General case' 0 CA--C 1.556 1.175 0 C-N-CA 124.018 0.927 . . . . 10.0 112.424 169.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1887 ' ' THR . . . . . . . . . . . . . 16.5 m -111.81 146.55 37.44 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.329 1.451 . . . . 10.0 110.967 -169.248 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1888 ' ' VAL . . . . . . . . . . . . . 2.4 m -150.14 42.04 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.164 0 C-N-CA 126.826 2.051 . . . . 10.0 110.981 -168.032 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1889 ' ' ASN . . . . . . . . . . . . . 60.8 t-20 -48.32 104.97 0.07 Allowed 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 128.326 2.65 . . . . 10.0 112.75 -176.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 1.1 p -76.24 58.78 1.3 Allowed 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 128.727 2.811 . . . . 10.0 114.175 -172.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1891 ' ' LYS . . . . . . . . . . . . . 36.6 mtpt -65.47 109.63 2.39 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 127.477 2.311 . . . . 10.0 110.559 179.127 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 25.8 t70 50.51 28.64 3.5 Favored 'General case' 0 CA--C 1.555 1.166 0 C-N-CA 127.033 2.133 . . . . 10.0 113.596 -177.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1893 ' ' ALA . . . . . . . . . . . . . . . -72.35 -40.24 67.5 Favored 'General case' 0 CA--C 1.55 0.97 0 N-CA-C 115.252 1.575 . . . . 10.0 115.252 -168.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.239 0 C-N-CA 124.72 1.152 . . . . 10.0 113.308 -170.299 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A 1898 ' ' LEU . . . . . 0.411 ' HB3' ' CD2' ' A' 1938 ' ' TYR . 0.0 OUTLIER . . . . . 0 CA--C 1.541 0.622 0 N-CA-C 113.806 1.039 . . . . 10.0 113.806 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1899 ' ' SER . . . . . . . . . . . . . 14.4 t -153.8 146.19 23.97 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 126.094 1.758 . . . . 10.0 111.081 175.001 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1900 ' ' LEU . . . . . . . . . . . . . 51.2 mt -107.36 153.21 23.09 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 124.671 1.188 . . . . 10.0 113.252 173.302 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1901 ' ' ALA . . . . . . . . . . . . . . . -145.43 150.19 36.07 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 125.268 1.427 . . . . 10.0 108.269 163.443 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1902 ' ' ILE . . . . . . . . . . . . . 1.1 mp -128.25 141.05 47.54 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.59 0 C-N-CA 125.973 1.709 . . . . 10.0 109.416 174.347 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1903 ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -129.92 173.66 10.48 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 126.627 1.971 . . . . 10.0 110.278 176.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1904 ' ' GLY . . . . . . . . . . . . . . . 146.88 -162.49 28.55 Favored Glycine 0 CA--C 1.538 1.514 0 O-C-N 120.959 -1.088 . . . . 10.0 111.502 -170.39 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1905 ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -72.43 -15.26 27.95 Favored 'Trans proline' 0 CA--C 1.542 0.891 0 C-N-CA 123.692 2.928 . . . . 10.0 113.135 171.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1906 ' ' SER . . . . . . . . . . . . . 12.7 t -154.43 -179.32 7.84 Favored 'General case' 0 C--O 1.246 0.91 0 C-N-CA 126.794 2.037 . . . . 10.0 110.087 -167.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1907 ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -133.63 174.68 10.17 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 126.191 1.796 . . . . 10.0 111.977 -173.246 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1908 ' ' ALA . . . . . . . . . . . . . . . -148.07 158.11 43.88 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.447 1.099 . . . . 10.0 111.198 -177.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1909 ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -89.89 102.1 14.8 Favored 'General case' 0 CA--C 1.552 1.029 0 O-C-N 120.867 -1.145 . . . . 10.0 110.461 176.07 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1910 ' ' ILE . . . . . . . . . . . . . 83.1 mt -74.34 145.73 10.83 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 126.21 1.804 . . . . 10.0 110.643 -176.248 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1911 ' ' SER . . . . . . . . . . . . . 22.8 t -144.66 155.63 43.69 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 127.881 2.472 . . . . 10.0 110.019 170.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1912 ' ' CYS . . . . . . . . . . . . . 80.5 m -139.64 152.51 46.83 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 125.984 1.714 . . . . 10.0 110.692 179.268 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1913 ' ' THR . . . . . . . . . . . . . 88.6 m -135.5 114.97 12.61 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.19 0.996 . . . . 10.0 111.848 179.3 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1914 ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -67.93 88.43 0.27 Allowed 'General case' 0 C--O 1.244 0.813 0 C-N-CA 124.492 1.117 . . . . 10.0 111.288 170.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1915 ' ' ASN . . . . . . . . . . . . . 61.4 t30 -80.52 153.61 28.02 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.197 1.399 . . . . 10.0 110.777 -173.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1916 ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -61.8 -20.05 63.2 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 127.618 2.367 . . . . 10.0 114.564 175.097 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1917 ' ' ASP . . . . . . . . . . . . . 19.3 t70 -88.37 -2.41 58.58 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 121.245 -0.909 . . . . 10.0 112.617 179.228 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1918 ' ' GLY . . . . . . . . . . . . . . . 95.71 30.31 8.11 Favored Glycine 0 CA--C 1.535 1.283 0 N-CA-C 116.097 1.199 . . . . 10.0 116.097 173.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1919 ' ' THR . . . . . . . . . . . . . 8.6 t -132.0 158.21 42.08 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 125.816 1.646 . . . . 10.0 111.997 178.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1920 ' ' CYS . . . . . . . . . . . . . 1.9 t -96.15 9.62 40.34 Favored 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 125.677 1.591 . . . . 10.0 113.818 -176.274 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1921 ' ' SER . . . . . . . . . . . . . 74.7 m 15.97 90.75 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 130.305 3.442 . . . . 10.0 116.325 175.007 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1922 ' ' VAL . . . . . . . . . . . . . 69.4 t -84.78 142.88 12.71 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 C-N-CA 125.06 1.344 . . . . 10.0 112.079 -173.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1923 ' ' SER . . . . . . . . . . . . . 27.5 t -132.9 149.0 52.29 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 125.238 1.415 . . . . 10.0 111.672 169.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1924 ' ' TYR . . . . . . . . . . . . . 18.7 p90 -152.65 170.69 19.61 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 127.032 2.133 . . . . 10.0 110.136 175.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1925 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -149.44 95.09 3.82 Favored Pre-proline 0 CA--C 1.552 1.039 0 O-C-N 121.12 -0.987 . . . . 10.0 111.133 -175.014 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1926 ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -72.6 146.34 43.63 Favored 'Trans proline' 0 C--N 1.354 0.833 0 C-N-CA 123.067 2.512 . . . . 10.0 112.354 -179.28 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1927 ' ' VAL . . . . . . . . . . . . . 35.6 m -106.51 -9.73 10.44 Favored 'Isoleucine or valine' 0 C--O 1.243 0.744 0 C-N-CA 125.339 1.456 . . . . 10.0 114.712 -179.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1928 ' ' LEU . . . . . . . . . . . . . 18.3 mt -142.25 158.21 61.64 Favored Pre-proline 0 CA--C 1.553 1.06 0 C-N-CA 125.337 1.455 . . . . 10.0 112.165 169.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1929 ' ' PRO . . . . . . . . . . . . . 9.8 Cg_exo -61.64 163.27 18.83 Favored 'Trans proline' 0 CA--C 1.545 1.031 0 C-N-CA 123.099 2.532 . . . . 10.0 112.322 172.175 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1930 ' ' GLY . . . . . . . . . . . . . . . 156.81 178.99 31.43 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 116.085 1.194 . . . . 10.0 116.085 172.197 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1931 ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -94.81 82.59 3.9 Favored 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 126.239 1.816 . . . . 10.0 108.874 174.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1932 ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -78.96 103.9 9.23 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.251 1.42 . . . . 10.0 111.966 -172.504 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1933 ' ' SER . . . . . . . . . . . . . 32.2 t -63.6 142.36 58.43 Favored 'General case' 0 CA--C 1.541 0.635 0 O-C-N 120.421 -1.424 . . . . 10.0 111.038 172.199 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1934 ' ' ILE . . . . . . . . . . . . . 5.3 mm -124.13 122.68 64.9 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 126.224 1.81 . . . . 10.0 110.764 178.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1935 ' ' LEU . . . . . . . . . . . . . 2.2 mm? -115.33 78.36 1.16 Allowed 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 127.344 2.258 . . . . 10.0 109.87 -172.13 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1936 ' ' VAL . . . . . . . . . . . . . 22.1 t -81.43 104.76 10.46 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.26 0 C-N-CA 125.47 1.508 . . . . 10.0 110.04 178.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1937 ' ' LYS . . . . . . . . . . . . . 60.9 mttp -100.16 141.21 33.3 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 123.923 0.889 . . . . 10.0 112.013 178.193 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1938 ' ' TYR . . . . . 0.411 ' CD2' ' HB3' ' A' 1898 ' ' LEU . 1.6 t80 -136.22 113.43 10.61 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 126.503 1.921 . . . . 10.0 108.113 169.148 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1939 ' ' ASN . . . . . . . . . . . . . 1.1 t30 54.83 73.13 0.43 Allowed 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.726 1.611 . . . . 10.0 113.808 -173.091 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1940 ' ' GLU . . . . . . . . . . . . . 19.7 tt0 65.58 -6.14 0.43 Allowed 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 127.906 2.482 . . . . 10.0 115.845 170.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1941 ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -140.04 164.6 29.6 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.333 1.453 . . . . 10.0 112.531 -179.306 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1942 ' ' HIS . . . . . . . . . . . . . 34.0 m170 -70.02 149.06 48.1 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 113.695 0.998 . . . . 10.0 113.695 -175.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1943 ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -70.73 167.04 30.91 Favored Pre-proline 0 C--O 1.242 0.672 0 C-N-CA 126.992 2.117 . . . . 10.0 112.061 178.795 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1944 ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -59.71 111.82 1.08 Allowed 'Trans proline' 0 CA--C 1.534 0.504 1 C-N-CA 126.129 4.553 . . . . 10.0 112.474 178.816 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1945 ' ' GLY . . . . . . . . . . . . . . . 98.52 -15.31 61.24 Favored Glycine 0 N--CA 1.476 1.334 0 C-N-CA 126.154 1.835 . . . . 10.0 115.382 -179.078 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1946 ' ' SER . . . . . . . . . . . . . 12.7 m -72.83 155.77 90.4 Favored Pre-proline 0 C--O 1.249 1.07 0 CA-C-N 118.595 1.198 . . . . 10.0 113.955 173.236 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1947 ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -73.72 167.95 77.82 Favored 'Cis proline' 0 CA--C 1.538 0.688 0 CA-C-N 119.91 1.004 . . . . 10.0 114.216 -1.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1948 ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -124.01 170.39 10.69 Favored 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 126.371 1.869 . . . . 10.0 110.882 174.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1949 ' ' THR . . . . . . . . . . . . . 28.8 m -142.1 99.87 3.61 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 125.417 1.487 . . . . 10.0 110.92 176.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1950 ' ' ALA . . . . . . . . . . . . . . . -74.91 157.47 34.98 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.139 0.976 . . . . 10.0 113.364 175.207 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1951 ' ' ARG . . . . . . . . . . . . . 39.1 ttp180 -120.68 87.18 2.7 Favored 'General case' 0 C--N 1.348 0.501 0 C-N-CA 125.472 1.509 . . . . 10.0 113.108 177.111 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1952 ' ' VAL . . . . . . . . . . . . . 2.1 t -65.1 93.47 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 126.951 2.1 . . . . 10.0 108.771 169.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1953 ' ' THR . . . . . . . . . . . . . 11.3 t -68.69 -32.24 71.91 Favored 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 115.88 1.807 . . . . 10.0 115.88 -167.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1954 ' ' GLY . . . . . . . . . . . . . . . 66.82 -174.27 25.29 Favored Glycine 0 CA--C 1.546 1.977 0 C-N-CA 124.995 1.283 . . . . 10.0 116.202 -178.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1955 ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -137.64 -43.38 0.54 Allowed 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 125.166 1.386 . . . . 10.0 113.586 -171.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1956 ' ' ASP . . . . . . . . . . . . . 33.3 t70 . . . . . 0 C--O 1.254 1.312 0 C-N-CA 125.517 1.527 . . . . 10.0 113.294 -177.428 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A 1868 ' ' VAL . . . . . . . . . . . . . 9.0 p . . . . . 0 N--CA 1.477 0.887 0 CA-C-O 121.515 0.674 . . . . 10.0 111.471 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A 1869 ' ' THR . . . . . . . . . . . . . 18.2 m -138.91 153.09 48.23 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.979 1.312 . . . . 10.0 110.484 -177.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1870 ' ' ALA . . . . . . . . . . . . . . . -123.84 126.78 47.04 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 126.375 1.87 . . . . 10.0 109.654 168.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1871 ' ' TYR . . . . . . . . . . . . . 54.2 p90 -149.36 156.39 41.98 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.251 1.02 . . . . 10.0 113.708 -175.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1872 ' ' GLY . . . . . . . . . . . . . . . 139.13 173.45 13.04 Favored Glycine 0 CA--C 1.534 1.266 0 C-N-CA 126.36 1.933 . . . . 10.0 115.073 179.371 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1873 ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -69.79 -24.81 29.12 Favored 'Trans proline' 0 C--N 1.351 0.665 0 C-N-CA 123.108 2.538 . . . . 10.0 112.609 179.415 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1874 ' ' GLY . . . . . . . . . . . . . . . -69.84 -7.73 59.49 Favored Glycine 0 CA--C 1.534 1.27 0 N-CA-C 116.022 1.169 . . . . 10.0 116.022 -178.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1875 ' ' LEU . . . . . . . . . . . . . 65.2 mt -87.2 -16.01 36.56 Favored 'General case' 0 CA--C 1.554 1.116 0 CA-C-N 119.022 1.411 . . . . 10.0 113.864 174.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1876 ' ' THR . . . . . . . . . . . . . 40.0 p -127.86 -30.65 2.48 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 125.022 1.329 . . . . 10.0 113.607 -171.531 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1877 ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -132.71 -179.81 5.69 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 125.648 1.579 . . . . 10.0 111.332 177.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1878 ' ' GLY . . . . . . . . . . . . . . . -168.8 177.01 42.86 Favored Glycine 0 CA--C 1.543 1.804 0 O-C-N 121.041 -1.037 . . . . 10.0 112.665 171.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1879 ' ' VAL . . . . . . . . . . . . . 7.4 p -136.49 134.18 49.34 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 124.673 1.189 . . . . 10.0 111.65 167.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1880 ' ' VAL . . . . . . . . . . . . . 31.8 t -80.7 144.77 10.06 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 126.214 1.806 . . . . 10.0 111.797 -168.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1881 ' ' ASN . . . . . . . . . . . . . 2.1 m-80 66.79 10.14 7.3 Favored 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 126.409 1.883 . . . . 10.0 114.523 178.185 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1882 ' ' LYS . . . . . . . . . . . . . 35.9 tptt -134.48 145.57 55.7 Favored Pre-proline 0 N--CA 1.472 0.656 0 C-N-CA 127.81 2.444 . . . . 10.0 109.829 173.402 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1883 ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -55.06 140.57 80.31 Favored 'Trans proline' 0 C--O 1.238 0.492 0 C-N-CA 123.45 2.767 . . . . 10.0 115.411 -175.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1884 ' ' ALA . . . . . . . . . . . . . . . -121.11 151.23 40.12 Favored 'General case' 0 C--O 1.242 0.699 0 C-N-CA 125.765 1.626 . . . . 10.0 110.997 173.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1885 ' ' THR . . . . . . . . . . . . . 58.9 p -150.25 160.85 43.39 Favored 'General case' 0 N--CA 1.483 1.196 0 O-C-N 121.295 -0.878 . . . . 10.0 113.032 -170.42 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1886 ' ' PHE . . . . . . . . . . . . . 39.1 p90 -149.5 151.34 33.77 Favored 'General case' 0 C--O 1.24 0.575 0 C-N-CA 125.176 1.391 . . . . 10.0 110.302 165.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1887 ' ' THR . . . . . . . . . . . . . 47.9 m -91.05 138.3 31.71 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 124.584 1.154 . . . . 10.0 110.807 179.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1888 ' ' VAL . . . . . . . . . . . . . 1.6 m -127.47 148.37 32.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 125.529 1.531 . . . . 10.0 109.352 169.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1889 ' ' ASN . . . . . . . . . . . . . 26.2 t30 -133.58 96.69 3.75 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 125.684 1.594 . . . . 10.0 111.913 -168.13 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 7.9 p -91.74 13.63 17.63 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 125.537 1.535 . . . . 10.0 113.759 -171.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1891 ' ' LYS . . . . . . . . . . . . . 53.7 mtpt -61.6 123.69 18.61 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 125.858 1.663 . . . . 10.0 112.481 -177.421 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 29.2 t70 50.54 20.69 0.74 Allowed 'General case' 0 CA--C 1.555 1.152 0 C-N-CA 126.426 1.89 . . . . 10.0 115.86 -176.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1893 ' ' ALA . . . . . . . . . . . . . . . -69.24 -24.27 63.98 Favored 'General case' 0 CA--C 1.551 0.981 0 N-CA-C 114.947 1.462 . . . . 10.0 114.947 -174.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.402 0 C-N-CA 124.906 1.241 . . . . 10.0 111.682 -174.082 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A 1898 ' ' LEU . . . . . . . . . . . . . 3.1 tm? . . . . . 0 CA--C 1.544 0.716 0 CA-C-O 120.202 0.049 . . . . 10.0 111.129 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A 1899 ' ' SER . . . . . . . . . . . . . 21.3 t -151.06 147.16 26.76 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.969 1.308 . . . . 10.0 111.321 176.019 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1900 ' ' LEU . . . . . . . . . . . . . 3.3 pp -158.63 168.14 27.69 Favored 'General case' 0 N--CA 1.446 -0.638 0 N-CA-C 114.387 1.254 . . . . 10.0 114.387 -173.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1901 ' ' ALA . . . . . . . . . . . . . . . -155.43 167.58 29.9 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.036 1.334 . . . . 10.0 112.216 168.477 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1902 ' ' ILE . . . . . . . . . . . . . 2.4 mp -123.77 120.8 60.75 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 C-N-CA 125.502 1.521 . . . . 10.0 108.616 179.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1903 ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -89.74 178.63 6.2 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 126.004 1.722 . . . . 10.0 110.852 169.318 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1904 ' ' GLY . . . . . . . . . . . . . . . 158.68 -169.18 35.03 Favored Glycine 0 CA--C 1.539 1.576 0 C-N-CA 125.237 1.398 . . . . 10.0 113.053 -179.176 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1905 ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -70.49 -19.12 33.05 Favored 'Trans proline' 0 CA--C 1.546 1.096 0 C-N-CA 122.611 2.207 . . . . 10.0 112.001 173.527 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1906 ' ' SER . . . . . . . . . . . . . 20.2 t -147.87 118.13 7.34 Favored 'General case' 0 C--O 1.234 0.271 0 C-N-CA 129.987 3.315 . . . . 10.0 109.162 -169.477 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1907 ' ' LYS . . . . . . . . . . . . . 64.4 mmtt -64.05 110.86 2.29 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 127.126 2.17 . . . . 10.0 111.822 -171.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1908 ' ' ALA . . . . . . . . . . . . . . . -67.72 150.06 49.17 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.09 1.356 . . . . 10.0 112.63 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1909 ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -85.78 102.35 13.59 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.271 1.428 . . . . 10.0 110.87 174.145 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1910 ' ' ILE . . . . . . . . . . . . . 20.9 mm -77.4 131.03 35.54 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.782 0 C-N-CA 124.553 1.141 . . . . 10.0 110.396 -173.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1911 ' ' SER . . . . . . . . . . . . . 8.4 t -146.73 169.98 17.93 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 127.553 2.341 . . . . 10.0 113.249 169.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1912 ' ' CYS . . . . . . . . . . . . . 27.6 p -149.59 164.61 34.65 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.979 1.311 . . . . 10.0 112.02 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1913 ' ' THR . . . . . . . . . . . . . 31.8 m -127.02 122.28 33.99 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.501 1.12 . . . . 10.0 111.601 -175.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1914 ' ' ASP . . . . . . . . . . . . . 34.6 t70 -71.31 135.58 47.45 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 123.647 0.779 . . . . 10.0 112.822 168.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1915 ' ' ASN . . . . . . . . . . . . . 28.3 m120 -139.41 159.71 41.52 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 125.377 1.471 . . . . 10.0 112.305 173.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1916 ' ' GLN . . . . . . . . . . . . . 18.2 tt0 -54.95 -46.15 74.96 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 128.074 2.549 . . . . 10.0 114.536 -174.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1917 ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -89.98 0.6 57.0 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 114.599 1.333 . . . . 10.0 114.599 -167.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1918 ' ' GLY . . . . . . . . . . . . . . . 98.13 36.48 4.67 Favored Glycine 0 CA--C 1.534 1.225 0 N-CA-C 115.589 0.996 . . . . 10.0 115.589 171.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1919 ' ' THR . . . . . . . . . . . . . 47.1 p -100.64 157.29 16.79 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 125.984 1.714 . . . . 10.0 112.276 167.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1920 ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -122.57 20.7 10.28 Favored 'General case' 0 CA--C 1.56 1.342 0 C-N-CA 124.863 1.265 . . . . 10.0 113.7 -176.749 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1921 ' ' SER . . . . . . . . . . . . . 67.4 m -22.19 108.2 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 129.556 3.142 . . . . 10.0 116.109 -171.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1922 ' ' VAL . . . . . . . . . . . . . 93.7 t -82.58 136.56 22.66 Favored 'Isoleucine or valine' 0 C--O 1.245 0.861 0 C-N-CA 126.882 2.073 . . . . 10.0 110.451 -173.595 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1923 ' ' SER . . . . . . . . . . . . . 67.3 m -135.14 127.53 30.4 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 125.749 1.619 . . . . 10.0 111.976 -172.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1924 ' ' TYR . . . . . . . . . . . . . 29.6 p90 -151.22 -178.05 6.41 Favored 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 124.951 1.3 . . . . 10.0 112.002 -177.357 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1925 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -145.67 96.79 4.7 Favored Pre-proline 0 CA--C 1.551 1.005 0 C-N-CA 125.614 1.566 . . . . 10.0 111.645 -174.198 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1926 ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -71.14 121.92 8.27 Favored 'Trans proline' 0 C--O 1.242 0.679 0 C-N-CA 123.64 2.894 . . . . 10.0 110.269 176.074 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1927 ' ' VAL . . . . . . . . . . . . . 25.5 m -106.06 -0.77 9.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 N-CA-C 114.345 1.239 . . . . 10.0 114.345 -171.535 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1928 ' ' LEU . . . . . . . . . . . . . 4.3 tt -153.17 131.62 6.52 Favored Pre-proline 0 N--CA 1.478 0.961 0 C-N-CA 124.723 1.209 . . . . 10.0 110.576 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1929 ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -51.25 133.34 41.83 Favored 'Trans proline' 0 CA--C 1.544 0.999 0 C-N-CA 124.402 3.401 . . . . 10.0 113.279 -178.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1930 ' ' GLY . . . . . . . . . . . . . . . -178.25 -178.11 47.44 Favored Glycine 0 N--CA 1.465 0.606 0 N-CA-C 117.6 1.8 . . . . 10.0 117.6 -171.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1931 ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -105.2 88.51 2.88 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 126.791 2.036 . . . . 10.0 108.673 176.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1932 ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -84.01 93.01 7.98 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.698 1.199 . . . . 10.0 110.835 -173.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1933 ' ' SER . . . . . . . . . . . . . 58.8 m -65.56 124.57 22.69 Favored 'General case' 0 C--N 1.328 -0.363 0 O-C-N 121.486 -0.759 . . . . 10.0 112.11 176.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1934 ' ' ILE . . . . . . . . . . . . . 5.1 mm -95.68 126.93 48.1 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.811 0 C-N-CA 124.422 1.089 . . . . 10.0 110.04 176.342 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1935 ' ' LEU . . . . . . . . . . . . . 3.4 mm? -113.16 94.85 5.08 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 126.279 1.831 . . . . 10.0 109.454 -179.435 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1936 ' ' VAL . . . . . . . . . . . . . 15.5 t -107.62 134.64 48.78 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.387 0 C-N-CA 124.509 1.124 . . . . 10.0 111.14 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1937 ' ' LYS . . . . . . . . . . . . . 98.8 mttt -130.49 155.86 45.76 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 125.828 1.651 . . . . 10.0 111.862 176.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1938 ' ' TYR . . . . . . . . . . . . . 26.2 t80 -138.39 105.16 5.36 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 126.765 2.026 . . . . 10.0 110.636 168.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1939 ' ' ASN . . . . . . . . . . . . . 1.1 t30 53.53 79.76 0.12 Allowed 'General case' 0 CA--C 1.562 1.427 0 C-N-CA 126.688 1.995 . . . . 10.0 112.475 -175.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1940 ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 64.1 -4.77 0.36 Allowed 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 128.851 2.86 . . . . 10.0 117.544 173.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1941 ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -128.5 149.92 50.38 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.554 1.541 . . . . 10.0 110.34 -176.324 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1942 ' ' HIS . . . . . . . . . . . . . 88.4 m-70 -70.69 153.13 43.11 Favored 'General case' 0 C--N 1.346 0.423 0 CA-C-O 121.948 0.88 . . . . 10.0 112.864 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1943 ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -72.53 164.63 58.45 Favored Pre-proline 0 CA--C 1.547 0.84 0 C-N-CA 125.349 1.46 . . . . 10.0 112.267 -179.092 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1944 ' ' PRO . . . . . . . . . . . . . 40.1 Cg_exo -53.36 114.02 1.56 Allowed 'Trans proline' 0 CA--C 1.545 1.03 0 C-N-CA 124.641 3.56 . . . . 10.0 112.846 179.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1945 ' ' GLY . . . . . . . . . . . . . . . 87.44 -7.95 78.95 Favored Glycine 0 CA--C 1.549 2.165 0 C-N-CA 125.173 1.368 . . . . 10.0 115.446 177.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1946 ' ' SER . . . . . . . . . . . . . 4.1 m -66.2 152.78 93.54 Favored Pre-proline 0 N--CA 1.471 0.604 0 CA-C-N 118.609 1.205 . . . . 10.0 113.172 174.648 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1947 ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -74.48 165.07 86.47 Favored 'Cis proline' 0 C--N 1.355 0.88 0 CA-C-O 122.2 0.833 . . . . 10.0 113.465 -3.307 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1948 ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -114.57 166.5 11.65 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 126.05 1.74 . . . . 10.0 109.862 174.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1949 ' ' THR . . . . . . . . . . . . . 31.6 m -140.01 102.13 4.32 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 125.002 1.321 . . . . 10.0 111.75 -179.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1950 ' ' ALA . . . . . . . . . . . . . . . -93.13 111.48 23.13 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.704 1.201 . . . . 10.0 112.478 -173.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1951 ' ' ARG . . . . . . . . . . . . . 12.8 ttt180 -88.88 81.04 6.99 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 113.243 0.831 . . . . 10.0 113.243 -178.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1952 ' ' VAL . . . . . . . . . . . . . 2.7 t -56.12 112.65 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.928 0 C-N-CA 129.117 2.967 . . . . 10.0 112.625 171.457 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1953 ' ' THR . . . . . . . . . . . . . 33.3 m -87.72 147.26 25.3 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 125.081 1.352 . . . . 10.0 110.217 177.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1954 ' ' GLY . . . . . . . . . . . . . . . -66.8 172.17 29.34 Favored Glycine 0 C--N 1.346 1.137 0 O-C-N 121.269 -0.894 . . . . 10.0 114.403 173.221 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1955 ' ' ASP . . . . . . . . . . . . . 36.1 t70 -134.18 -71.99 0.49 Allowed 'General case' 0 CA--C 1.559 1.304 0 C-N-CA 124.354 1.062 . . . . 10.0 113.6 -175.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1956 ' ' ASP . . . . . . . . . . . . . 35.2 t70 . . . . . 0 C--O 1.251 1.155 0 C-N-CA 124.723 1.209 . . . . 10.0 113.73 175.296 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A 1868 ' ' VAL . . . . . . . . . . . . . 10.8 m . . . . . 0 N--CA 1.478 0.958 0 CA-C-O 121.542 0.687 . . . . 10.0 109.964 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A 1869 ' ' THR . . . . . . . . . . . . . 63.2 p -141.71 169.22 18.01 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 120.221 -1.55 . . . . 10.0 110.511 -172.117 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1870 ' ' ALA . . . . . . . . . . . . . . . -126.17 137.29 53.55 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.875 1.67 . . . . 10.0 109.517 179.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1871 ' ' TYR . . . . . . . . . . . . . 14.5 p90 -156.16 152.18 27.57 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.698 1.199 . . . . 10.0 112.058 -179.081 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1872 ' ' GLY . . . . . . . . . . . . . . . 144.5 175.41 17.62 Favored Glycine 0 N--CA 1.475 1.253 0 O-C-N 120.69 -1.256 . . . . 10.0 112.719 176.094 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1873 ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -64.66 -34.08 52.63 Favored 'Trans proline' 0 CA--C 1.532 0.405 0 C-N-CA 123.82 3.013 . . . . 10.0 113.149 -174.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1874 ' ' GLY . . . . . . . . . . . . . . . -67.12 -7.75 46.01 Favored Glycine 0 CA--C 1.531 1.046 0 C-N-CA 125.724 1.631 . . . . 10.0 116.121 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1875 ' ' LEU . . . . . . . . . . . . . 24.2 mt -95.19 -3.8 47.1 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 118.827 1.314 . . . . 10.0 112.768 169.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1876 ' ' THR . . . . . . . . . . . . . 69.9 m -121.99 -48.72 2.11 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 126.195 1.798 . . . . 10.0 111.432 -170.187 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1877 ' ' HIS . . . . . . . . . . . . . 14.8 p80 -142.92 -179.44 6.36 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 126.417 1.887 . . . . 10.0 111.461 178.098 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1878 ' ' GLY . . . . . . . . . . . . . . . -168.1 176.94 42.49 Favored Glycine 0 N--CA 1.472 1.033 0 C-N-CA 124.636 1.112 . . . . 10.0 114.078 176.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1879 ' ' VAL . . . . . . . . . . . . . 12.6 p -134.82 145.45 32.36 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.799 0 C-N-CA 125.453 1.501 . . . . 10.0 110.508 171.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1880 ' ' VAL . . . . . . . . . . . . . 65.6 t -85.55 146.76 6.11 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 C-N-CA 125.296 1.439 . . . . 10.0 113.522 -171.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1881 ' ' ASN . . . . . . . . . . . . . 77.0 m-20 54.58 18.05 1.88 Allowed 'General case' 0 CA--C 1.557 1.246 0 C-N-CA 127.727 2.411 . . . . 10.0 114.654 -177.348 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1882 ' ' LYS . . . . . . . . . . . . . 37.3 tptt -137.54 145.21 48.16 Favored Pre-proline 0 N--CA 1.475 0.82 0 C-N-CA 127.517 2.327 . . . . 10.0 110.359 171.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1883 ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -58.31 141.76 97.08 Favored 'Trans proline' 0 N--CA 1.459 -0.529 0 C-N-CA 124.66 3.573 . . . . 10.0 114.229 -175.134 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1884 ' ' ALA . . . . . . . . . . . . . . . -128.61 156.17 43.81 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 125.836 1.654 . . . . 10.0 110.976 172.141 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1885 ' ' THR . . . . . . . . . . . . . 28.3 p -151.71 162.91 40.22 Favored 'General case' 0 N--CA 1.469 0.525 0 N-CA-C 114.56 1.319 . . . . 10.0 114.56 -169.211 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1886 ' ' PHE . . . . . . . . . . . . . 43.7 p90 -148.57 178.77 8.34 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.26 1.424 . . . . 10.0 110.514 168.382 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1887 ' ' THR . . . . . . . . . . . . . 92.5 m -125.59 137.29 53.9 Favored 'General case' 0 N--CA 1.463 0.223 0 C-N-CA 124.605 1.162 . . . . 10.0 111.402 -173.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1888 ' ' VAL . . . . . 0.442 ' CG2' ' HB3' ' A' 1920 ' ' CYS . 5.9 m -125.41 146.33 31.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 C-N-CA 125.351 1.46 . . . . 10.0 107.875 165.603 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1889 ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -126.77 88.56 2.84 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 125.198 1.399 . . . . 10.0 108.245 -177.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 44.8 p -104.69 74.19 1.13 Allowed 'General case' 0 C--O 1.241 0.649 0 N-CA-C 113.811 1.041 . . . . 10.0 113.811 -166.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1891 ' ' LYS . . . . . . . . . . . . . 51.1 mtpt -107.49 -72.25 0.73 Allowed 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 125.158 1.383 . . . . 10.0 112.288 -175.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 19.8 t70 -64.72 -19.82 65.98 Favored 'General case' 0 N--CA 1.485 1.29 0 N-CA-C 116.059 1.874 . . . . 10.0 116.059 -169.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1893 ' ' ALA . . . . . . . . . . . . . . . -65.41 -8.14 17.4 Favored 'General case' 0 CA--C 1.555 1.148 0 N-CA-C 114.652 1.353 . . . . 10.0 114.652 169.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.45 0 C-N-CA 124.95 1.262 . . . . 10.0 112.823 178.726 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A 1898 ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.472 0.632 0 N-CA-C 114.408 1.262 . . . . 10.0 114.408 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1899 ' ' SER . . . . . . . . . . . . . 20.3 t -158.16 155.74 29.63 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.633 1.573 . . . . 10.0 110.574 173.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1900 ' ' LEU . . . . . . . . . . . . . 4.1 pp -146.9 170.59 16.75 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 114.257 1.206 . . . . 10.0 114.257 173.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1901 ' ' ALA . . . . . . . . . . . . . . . -149.15 166.49 28.65 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.577 1.551 . . . . 10.0 111.994 170.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1902 ' ' ILE . . . . . . . . . . . . . 1.5 mp -120.09 131.42 72.5 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 124.087 0.955 . . . . 10.0 109.617 174.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1903 ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -110.49 173.64 6.23 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 127.448 2.299 . . . . 10.0 110.327 170.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1904 ' ' GLY . . . . . . . . . . . . . . . 157.28 -167.08 33.86 Favored Glycine 0 N--CA 1.481 1.641 0 C-N-CA 124.78 1.181 . . . . 10.0 112.889 -175.059 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1905 ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -72.16 -17.56 27.84 Favored 'Trans proline' 0 CA--C 1.537 0.657 0 C-N-CA 122.685 2.257 . . . . 10.0 112.396 172.015 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1906 ' ' SER . . . . . . . . . . . . . 19.1 t -146.96 179.07 7.86 Favored 'General case' 0 C--O 1.245 0.859 0 C-N-CA 129.699 3.2 . . . . 10.0 107.73 -167.165 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1907 ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -122.65 166.19 15.29 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.263 1.025 . . . . 10.0 113.262 -173.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1908 ' ' ALA . . . . . . . . . . . . . . . -146.94 -179.27 6.69 Favored 'General case' 0 CA--C 1.56 1.333 0 C-N-CA 127.156 2.182 . . . . 10.0 110.754 178.304 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1909 ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -123.8 122.12 37.22 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.683 1.193 . . . . 10.0 110.91 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1910 ' ' ILE . . . . . . . . . . . . . 1.6 mp -71.02 120.91 19.83 Favored 'Isoleucine or valine' 0 C--O 1.24 0.589 0 C-N-CA 125.814 1.646 . . . . 10.0 110.279 -178.109 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1911 ' ' SER . . . . . . . . . . . . . 58.1 m -129.16 88.06 2.65 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.799 1.24 . . . . 10.0 111.419 179.038 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1912 ' ' CYS . . . . . . . . . . . . . 25.0 p -63.71 155.13 30.98 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.748 1.619 . . . . 10.0 114.338 174.056 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1913 ' ' THR . . . . . . . . . . . . . 4.2 m -131.79 84.53 2.17 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 125.012 1.325 . . . . 10.0 110.564 178.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1914 ' ' ASP . . . . . . . . . . . . . 21.9 t70 -72.7 98.36 2.36 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 126.549 1.94 . . . . 10.0 111.506 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1915 ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -105.19 159.24 16.02 Favored 'General case' 0 C--O 1.242 0.686 0 C-N-CA 124.734 1.213 . . . . 10.0 110.663 178.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1916 ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -64.01 -16.72 62.28 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 125.506 1.522 . . . . 10.0 114.667 -174.092 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1917 ' ' ASP . . . . . . . . . . . . . 33.6 t70 -79.59 -13.91 59.19 Favored 'General case' 0 CA--C 1.555 1.159 0 C-N-CA 125.606 1.562 . . . . 10.0 112.603 178.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1918 ' ' GLY . . . . . . . . . . . . . . . 109.4 8.67 26.61 Favored Glycine 0 CA--C 1.535 1.311 0 C-N-CA 125.197 1.379 . . . . 10.0 114.608 174.389 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1919 ' ' THR . . . . . . . . . . . . . 68.4 p -83.66 152.53 24.72 Favored 'General case' 0 N--CA 1.478 0.931 0 O-C-N 120.754 -1.439 . . . . 10.0 112.493 176.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1920 ' ' CYS . . . . . 0.442 ' HB3' ' CG2' ' A' 1888 ' ' VAL . 0.5 OUTLIER -112.85 -4.79 13.92 Favored 'General case' 0 CA--C 1.556 1.184 0 N-CA-C 114.433 1.271 . . . . 10.0 114.433 172.418 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A 1921 ' ' SER . . . . . . . . . . . . . 74.7 m 13.63 86.2 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 131.269 3.828 . . . . 10.0 116.511 172.268 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1922 ' ' VAL . . . . . . . . . . . . . 55.3 t -80.87 121.84 35.05 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 C-N-CA 124.889 1.276 . . . . 10.0 112.245 -178.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1923 ' ' SER . . . . . . . . . . . . . 39.3 m -95.99 154.07 17.43 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 126.22 1.808 . . . . 10.0 109.279 168.188 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1924 ' ' TYR . . . . . . . . . . . . . 11.8 p90 -149.17 175.43 11.38 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 127.426 2.291 . . . . 10.0 109.999 171.677 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1925 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -152.45 85.08 4.59 Favored Pre-proline 0 CA--C 1.556 1.178 0 O-C-N 119.837 -1.789 . . . . 10.0 110.868 -170.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1926 ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -71.68 121.82 8.01 Favored 'Trans proline' 0 CA--C 1.539 0.77 0 C-N-CA 124.039 3.159 . . . . 10.0 111.723 -170.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1927 ' ' VAL . . . . . . . . . . . . . 27.5 m -78.39 -17.73 13.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 N-CA-C 114.406 1.261 . . . . 10.0 114.406 -178.257 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1928 ' ' LEU . . . . . . . . . . . . . 17.7 mt -138.95 160.33 63.27 Favored Pre-proline 0 CA--C 1.551 0.985 0 C-N-CA 127.093 2.157 . . . . 10.0 111.352 171.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1929 ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -72.01 164.16 36.52 Favored 'Trans proline' 0 CA--C 1.534 0.501 0 C-N-CA 123.893 3.062 . . . . 10.0 111.608 176.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1930 ' ' GLY . . . . . . . . . . . . . . . 159.35 179.11 33.94 Favored Glycine 0 C--N 1.346 1.093 0 N-CA-C 115.713 1.045 . . . . 10.0 115.713 173.113 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1931 ' ' ASP . . . . . . . . . . . . . 15.4 p-10 -88.48 74.34 8.56 Favored 'General case' 0 C--O 1.242 0.679 0 C-N-CA 126.679 1.992 . . . . 10.0 109.937 169.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1932 ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -67.27 153.98 42.38 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 121.593 -0.692 . . . . 10.0 111.156 172.223 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1933 ' ' SER . . . . . . . . . . . . . 23.2 t -130.58 130.68 44.35 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 125.689 1.596 . . . . 10.0 109.872 -177.104 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1934 ' ' ILE . . . . . . . . . . . . . 5.7 mm -102.55 108.97 25.27 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 C-N-CA 124.627 1.171 . . . . 10.0 110.197 -174.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1935 ' ' LEU . . . . . . . . . . . . . 3.8 mm? -96.3 99.57 11.26 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 126.03 1.732 . . . . 10.0 110.46 -178.482 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1936 ' ' VAL . . . . . . . . . . . . . 21.0 t -111.82 134.69 53.46 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.376 0 C-N-CA 124.212 1.005 . . . . 10.0 110.884 -175.115 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1937 ' ' LYS . . . . . . . . . . . . . 94.0 mttt -128.63 154.74 45.94 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 126.303 1.841 . . . . 10.0 113.974 176.092 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1938 ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -135.9 125.3 24.92 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.485 1.514 . . . . 10.0 107.624 168.113 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1939 ' ' ASN . . . . . . . . . . . . . 52.7 t30 41.41 59.14 2.47 Favored 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 127.266 2.227 . . . . 10.0 113.817 -171.094 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1940 ' ' GLU . . . . . . . . . . . . . 7.0 tp10 66.51 -3.66 0.83 Allowed 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 128.258 2.623 . . . . 10.0 116.327 177.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1941 ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -110.42 141.28 43.72 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 125.031 1.332 . . . . 10.0 111.75 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1942 ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -67.06 150.75 48.77 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-N 119.772 1.169 . . . . 10.0 113.843 -176.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1943 ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -72.62 166.08 45.72 Favored Pre-proline 0 N--CA 1.477 0.908 0 C-N-CA 125.57 1.548 . . . . 10.0 113.55 -175.792 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1944 ' ' PRO . . . . . . . . . . . . . 44.5 Cg_exo -58.63 109.46 0.52 Allowed 'Trans proline' 0 CA--C 1.549 1.24 0 C-N-CA 125.206 3.938 . . . . 10.0 113.052 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1945 ' ' GLY . . . . . . . . . . . . . . . 86.56 2.14 85.09 Favored Glycine 0 CA--C 1.544 1.874 0 N-CA-C 115.814 1.086 . . . . 10.0 115.814 -178.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1946 ' ' SER . . . . . . . . . . . . . 2.8 m -67.04 153.54 94.34 Favored Pre-proline 0 N--CA 1.478 0.958 0 CA-C-N 119.636 1.718 . . . . 10.0 112.82 174.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1947 ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -75.17 161.51 94.59 Favored 'Cis proline' 0 C--N 1.362 1.247 0 N-CA-C 113.721 0.624 . . . . 10.0 113.721 -10.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1948 ' ' PHE . . . . . . . . . . . . . 78.9 m-85 -100.01 169.1 9.42 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 125.626 1.57 . . . . 10.0 111.87 172.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1949 ' ' THR . . . . . . . . . . . . . 29.9 m -141.41 111.02 6.46 Favored 'General case' 0 N--CA 1.488 1.455 0 CA-C-N 119.83 1.196 . . . . 10.0 112.406 -173.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1950 ' ' ALA . . . . . . . . . . . . . . . -106.92 129.81 54.68 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.325 1.45 . . . . 10.0 111.781 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1951 ' ' ARG . . . . . . . . . . . . . 29.1 ptt180 -98.49 22.46 9.78 Favored 'General case' 0 N--CA 1.493 1.706 0 N-CA-C 116.504 2.039 . . . . 10.0 116.504 -168.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1952 ' ' VAL . . . . . . . . . . . . . 17.3 t -8.43 104.07 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 131.458 3.903 . . . . 10.0 114.767 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1953 ' ' THR . . . . . . . . . . . . . 25.6 m -82.74 132.28 35.18 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.276 1.431 . . . . 10.0 111.971 -178.031 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1954 ' ' GLY . . . . . . . . . . . . . . . -88.71 160.21 29.92 Favored Glycine 0 N--CA 1.467 0.756 0 C-N-CA 124.491 1.043 . . . . 10.0 112.55 177.17 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1955 ' ' ASP . . . . . . . . . . . . . 32.5 t70 -144.27 -46.3 0.26 Allowed 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 124.302 1.041 . . . . 10.0 113.517 179.107 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1956 ' ' ASP . . . . . . . . . . . . . 34.4 t70 . . . . . 0 C--O 1.257 1.496 0 C-N-CA 125.208 1.403 . . . . 10.0 114.19 175.081 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A 1868 ' ' VAL . . . . . . . . . . . . . 8.6 p . . . . . 0 N--CA 1.474 0.734 0 N-CA-C 111.628 0.232 . . . . 10.0 111.628 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A 1869 ' ' THR . . . . . . . . . . . . . 82.8 p -134.59 175.23 9.72 Favored 'General case' 0 N--CA 1.488 1.47 0 C-N-CA 124.594 1.158 . . . . 10.0 110.088 173.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1870 ' ' ALA . . . . . . . . . . . . . . . -137.52 120.52 16.58 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.334 1.054 . . . . 10.0 109.353 169.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1871 ' ' TYR . . . . . . . . . . . . . 53.4 p90 -147.11 160.11 42.81 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 125.022 1.329 . . . . 10.0 112.672 -177.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1872 ' ' GLY . . . . . . . . . . . . . . . 137.28 176.79 14.6 Favored Glycine 0 CA--C 1.538 1.481 0 C-N-CA 124.596 1.093 . . . . 10.0 114.08 -178.18 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1873 ' ' PRO . . . . . . . . . . . . . 76.8 Cg_endo -68.13 -30.6 31.3 Favored 'Trans proline' 0 N--CA 1.451 -1.005 0 C-N-CA 123.235 2.624 . . . . 10.0 113.408 179.105 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1874 ' ' GLY . . . . . . . . . . . . . . . -65.45 -9.49 43.9 Favored Glycine 0 CA--C 1.54 1.631 0 N-CA-C 115.929 1.131 . . . . 10.0 115.929 -177.145 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1875 ' ' LEU . . . . . . . . . . . . . 43.4 mt -94.09 -8.28 40.11 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-N 119.56 1.68 . . . . 10.0 113.947 171.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1876 ' ' THR . . . . . . . . . . . . . 35.7 m -120.04 -37.53 3.07 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 125.491 1.516 . . . . 10.0 111.636 -174.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1877 ' ' HIS . . . . . . . . . . . . . 57.3 m80 -128.77 173.44 10.34 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 127.979 2.512 . . . . 10.0 111.036 174.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1878 ' ' GLY . . . . . . . . . . . . . . . -152.56 168.65 31.63 Favored Glycine 0 N--CA 1.472 1.055 0 C-N-CA 126.308 1.908 . . . . 10.0 112.32 174.34 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1879 ' ' VAL . . . . . . . . . . . . . 3.4 t -131.48 115.55 28.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 CA-C-N 118.515 1.158 . . . . 10.0 110.634 178.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1880 ' ' VAL . . . . . . . . . . . . . 76.5 t -63.09 126.92 22.41 Favored 'Isoleucine or valine' 0 C--O 1.236 0.367 0 C-N-CA 124.79 1.236 . . . . 10.0 110.817 -177.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1881 ' ' ASN . . . . . . . . . . . . . 75.1 m-20 55.45 22.57 5.14 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 128.002 2.521 . . . . 10.0 114.871 -176.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1882 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.62 128.28 21.74 Favored Pre-proline 0 N--CA 1.486 1.333 0 C-N-CA 125.164 1.385 . . . . 10.0 110.665 169.021 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1883 ' ' PRO . . . . . . . . . . . . . 35.7 Cg_exo -56.46 118.89 5.78 Favored 'Trans proline' 0 C--N 1.357 1.008 0 C-N-CA 123.241 2.627 . . . . 10.0 111.072 -172.172 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1884 ' ' ALA . . . . . . . . . . . . . . . -102.44 156.99 17.23 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.541 1.536 . . . . 10.0 111.286 177.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1885 ' ' THR . . . . . . . . . . . . . 71.3 p -147.95 162.07 40.05 Favored 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 114.513 1.301 . . . . 10.0 114.513 -169.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1886 ' ' PHE . . . . . . . . . . . . . 53.2 p90 -152.37 157.07 40.77 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 127.262 2.225 . . . . 10.0 110.809 167.372 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1887 ' ' THR . . . . . . . . . . . . . 47.1 m -92.94 138.02 31.85 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.705 1.602 . . . . 10.0 110.753 -177.036 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1888 ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -135.65 61.36 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 C-N-CA 128.933 2.893 . . . . 10.0 108.805 -177.531 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1889 ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -62.74 88.99 0.03 OUTLIER 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 130.012 3.325 . . . . 10.0 111.678 -176.141 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 5.6 p -70.56 54.16 0.15 Allowed 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 130.665 3.586 . . . . 10.0 112.584 170.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1891 ' ' LYS . . . . . . . . . . . . . 1.8 ptmt -48.51 -57.79 5.63 Favored 'General case' 0 N--CA 1.485 1.308 0 N-CA-C 116.951 2.204 . . . . 10.0 116.951 -178.473 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 33.7 t70 -129.47 11.21 5.79 Favored 'General case' 0 CA--C 1.562 1.433 0 C-N-CA 126.336 1.854 . . . . 10.0 111.63 175.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1893 ' ' ALA . . . . . . . . . . . . . . . -58.08 -49.74 75.89 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 128.349 2.659 . . . . 10.0 114.593 -170.216 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.393 0 C-N-CA 125.125 1.345 . . . . 10.0 111.847 -171.945 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A 1898 ' ' LEU . . . . . . . . . . . . . 2.5 tm? . . . . . 0 CA--C 1.54 0.559 0 CA-C-O 121.112 0.482 . . . . 10.0 111.196 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A 1899 ' ' SER . . . . . . . . . . . . . 19.5 t -131.26 144.02 50.99 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 126.543 1.937 . . . . 10.0 110.576 -178.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1900 ' ' LEU . . . . . . . . . . . . . 82.0 mt -129.64 155.32 46.05 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 125.565 1.546 . . . . 10.0 113.286 -172.208 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1901 ' ' ALA . . . . . . . . . . . . . . . -144.23 111.6 5.97 Favored 'General case' 0 N--CA 1.444 -0.761 0 C-N-CA 125.98 1.712 . . . . 10.0 108.608 166.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1902 ' ' ILE . . . . . . . . . . . . . 1.9 mp -97.17 137.03 25.95 Favored 'Isoleucine or valine' 0 C--O 1.243 0.721 0 O-C-N 121.073 -1.017 . . . . 10.0 109.277 173.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1903 ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 -126.61 173.66 9.28 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 126.53 1.932 . . . . 10.0 111.115 176.293 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1904 ' ' GLY . . . . . . . . . . . . . . . 156.88 -164.95 32.96 Favored Glycine 0 N--CA 1.479 1.52 0 C-N-CA 123.818 0.723 . . . . 10.0 112.02 -176.233 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1905 ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -71.05 -18.21 31.16 Favored 'Trans proline' 0 CA--C 1.545 1.058 0 C-N-CA 122.704 2.27 . . . . 10.0 112.081 169.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1906 ' ' SER . . . . . . . . . . . . . 17.6 t -147.53 -174.9 4.66 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 128.279 2.632 . . . . 10.0 109.128 -168.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1907 ' ' LYS . . . . . . . . . . . . . 98.7 mttt -123.3 165.42 17.0 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 124.973 1.309 . . . . 10.0 113.718 -168.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1908 ' ' ALA . . . . . . . . . . . . . . . -139.62 137.57 35.41 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.157 1.383 . . . . 10.0 113.094 178.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1909 ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -63.25 153.91 33.17 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 123.617 0.767 . . . . 10.0 110.605 167.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1910 ' ' ILE . . . . . . . . . . . . . 25.3 mm -125.07 126.84 71.75 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.732 0 C-N-CA 125.256 1.422 . . . . 10.0 110.481 -177.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1911 ' ' SER . . . . . . . . . . . . . 56.4 m -135.43 157.23 47.41 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 127.621 2.368 . . . . 10.0 110.898 172.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1912 ' ' CYS . . . . . . . . . . . . . 26.3 p -157.05 166.51 33.12 Favored 'General case' 0 C--N 1.349 0.55 0 C-N-CA 125.374 1.469 . . . . 10.0 112.669 179.006 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1913 ' ' THR . . . . . . . . . . . . . 85.0 m -103.64 94.32 5.39 Favored 'General case' 0 N--CA 1.476 0.843 0 O-C-N 120.66 -1.275 . . . . 10.0 109.372 171.001 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1914 ' ' ASP . . . . . . . . . . . . . 30.8 t70 -59.11 -29.1 67.12 Favored 'General case' 0 C--O 1.246 0.871 0 C-N-CA 125.646 1.579 . . . . 10.0 113.641 -174.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1915 ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -65.68 108.78 2.19 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 125.613 1.565 . . . . 10.0 110.509 171.027 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1916 ' ' GLN . . . . . . . . . . . . . 10.7 tm0? -68.1 70.8 0.16 Allowed 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 126.443 1.897 . . . . 10.0 112.09 174.179 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1917 ' ' ASP . . . . . . . . . . . . . 33.5 t70 -86.28 5.31 35.08 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 127.483 2.313 . . . . 10.0 112.705 176.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1918 ' ' GLY . . . . . . . . . . . . . . . 133.09 -18.57 4.46 Favored Glycine 0 CA--C 1.533 1.182 0 C-N-CA 127.596 2.522 . . . . 10.0 113.642 -176.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1919 ' ' THR . . . . . . . . . . . . . 2.4 t -156.51 152.43 27.34 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.172 1.389 . . . . 10.0 111.436 175.337 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1920 ' ' CYS . . . . . . . . . . . . . 7.3 t -81.11 0.4 36.33 Favored 'General case' 0 CA--C 1.558 1.27 0 C-N-CA 125.358 1.463 . . . . 10.0 114.024 174.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1921 ' ' SER . . . . . . . . . . . . . 5.7 t 28.06 75.04 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 131.149 3.779 . . . . 10.0 115.188 175.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1922 ' ' VAL . . . . . . . . . . . . . 24.8 t -71.52 133.95 30.87 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.205 0 C-N-CA 125.026 1.33 . . . . 10.0 111.496 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1923 ' ' SER . . . . . . . . . . . . . 67.8 m -126.01 139.3 53.53 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 127.031 2.132 . . . . 10.0 109.938 168.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1924 ' ' TYR . . . . . . . . . . . . . 24.5 p90 -140.32 162.24 35.77 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 124.469 1.108 . . . . 10.0 111.034 176.257 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1925 ' ' LEU . . . . . . . . . . . . . 2.0 tm? -143.57 94.4 6.1 Favored Pre-proline 0 CA--C 1.542 0.635 0 CA-C-O 118.39 -0.814 . . . . 10.0 109.966 -172.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1926 ' ' PRO . . . . . . . . . . . . . 50.7 Cg_endo -75.21 155.72 42.01 Favored 'Trans proline' 0 CA--C 1.54 0.801 0 C-N-CA 123.54 2.827 . . . . 10.0 110.702 175.101 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1927 ' ' VAL . . . . . . . . . . . . . 29.2 m -111.7 -16.06 9.53 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 N-CA-C 115.869 1.803 . . . . 10.0 115.869 -175.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1928 ' ' LEU . . . . . . . . . . . . . 18.9 mt -143.35 159.1 56.37 Favored Pre-proline 0 CA--C 1.543 0.674 0 C-N-CA 126.34 1.856 . . . . 10.0 112.296 170.312 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1929 ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -74.52 164.03 34.79 Favored 'Trans proline' 0 CA--C 1.536 0.579 0 C-N-CA 123.672 2.915 . . . . 10.0 112.128 -177.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1930 ' ' GLY . . . . . . . . . . . . . . . 153.31 -179.85 29.36 Favored Glycine 0 CA--C 1.54 1.598 0 N-CA-C 117.098 1.599 . . . . 10.0 117.098 177.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1931 ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -85.23 88.58 7.5 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.395 1.478 . . . . 10.0 109.288 169.106 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1932 ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -82.49 161.65 22.31 Favored 'General case' 0 C--O 1.222 -0.378 0 O-C-N 121.463 -0.773 . . . . 10.0 110.51 173.131 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1933 ' ' SER . . . . . . . . . . . . . 70.4 m -124.31 146.91 48.51 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 125.313 1.445 . . . . 10.0 110.794 174.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1934 ' ' ILE . . . . . . . . . . . . . 3.8 mm -119.11 109.77 27.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 C-N-CA 125.602 1.561 . . . . 10.0 109.389 -178.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1935 ' ' LEU . . . . . . . . . . . . . 2.0 mm? -98.19 110.02 22.67 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 126.148 1.779 . . . . 10.0 108.081 170.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1936 ' ' VAL . . . . . . . . . . . . . 22.7 t -108.16 133.59 52.61 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 C-N-CA 126.013 1.725 . . . . 10.0 110.49 177.46 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1937 ' ' LYS . . . . . . . . . . . . . 99.0 mttt -132.11 154.57 49.34 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 125.048 1.339 . . . . 10.0 111.426 170.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1938 ' ' TYR . . . . . . . . . . . . . 45.3 t80 -125.08 -27.23 3.57 Favored 'General case' 0 N--CA 1.486 1.327 0 N-CA-C 117.252 2.316 . . . . 10.0 117.252 174.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1939 ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -143.19 50.97 1.39 Allowed 'General case' 0 CA--C 1.558 1.261 0 C-N-CA 126.161 1.785 . . . . 10.0 111.309 -173.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1940 ' ' GLU . . . . . . . . . . . . . 5.8 tp10 58.64 10.56 1.46 Allowed 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 127.084 2.154 . . . . 10.0 113.462 -168.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1941 ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -137.72 147.12 44.5 Favored 'General case' 0 C--O 1.239 0.532 0 C-N-CA 127.611 2.364 . . . . 10.0 110.379 -170.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1942 ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -69.87 147.38 50.38 Favored 'General case' 0 C--O 1.241 0.652 0 N-CA-C 114.229 1.196 . . . . 10.0 114.229 -173.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1943 ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -69.19 164.83 44.82 Favored Pre-proline 0 C--O 1.242 0.701 0 C-N-CA 126.296 1.838 . . . . 10.0 113.276 175.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1944 ' ' PRO . . . . . . . . . . . . . 49.4 Cg_exo -59.94 115.32 2.54 Favored 'Trans proline' 0 CA--C 1.544 0.993 0 C-N-CA 124.792 3.662 . . . . 10.0 111.583 -176.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1945 ' ' GLY . . . . . . . . . . . . . . . 88.82 -6.01 84.06 Favored Glycine 0 N--CA 1.474 1.221 0 C-N-CA 126.087 1.803 . . . . 10.0 116.529 177.147 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1946 ' ' SER . . . . . . . . . . . . . 15.6 m -63.43 156.87 68.21 Favored Pre-proline 0 CA--C 1.551 0.989 0 CA-C-N 119.652 1.726 . . . . 10.0 114.854 172.076 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1947 ' ' PRO . . . . . . . . . . . . . 80.7 Cg_endo -76.0 172.26 63.99 Favored 'Cis proline' 0 CA--C 1.552 1.402 0 N-CA-C 114.343 0.863 . . . . 10.0 114.343 -7.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1948 ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -125.1 166.14 16.94 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 127.015 2.126 . . . . 10.0 111.347 178.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1949 ' ' THR . . . . . . . . . . . . . 28.5 m -134.48 101.84 5.11 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 125.354 1.461 . . . . 10.0 109.91 -179.378 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1950 ' ' ALA . . . . . . . . . . . . . . . -90.06 127.72 36.13 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.441 1.496 . . . . 10.0 111.656 -176.339 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1951 ' ' ARG . . . . . . . . . . . . . 40.2 ttm-85 -93.47 87.4 5.55 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 125.243 1.417 . . . . 10.0 113.054 173.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1952 ' ' VAL . . . . . . . . . . . . . 2.4 t -63.98 115.32 2.6 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 C-N-CA 129.617 3.167 . . . . 10.0 112.115 171.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1953 ' ' THR . . . . . . . . . . . . . 6.2 t -102.26 146.5 27.91 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 124.869 1.268 . . . . 10.0 112.709 -179.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1954 ' ' GLY . . . . . . . . . . . . . . . -69.07 168.8 44.11 Favored Glycine 0 CA--C 1.534 1.247 0 N-CA-C 114.678 0.631 . . . . 10.0 114.678 -175.174 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1955 ' ' ASP . . . . . . . . . . . . . 38.8 t70 -154.83 -46.98 0.09 Allowed 'General case' 0 CA--C 1.555 1.139 0 C-N-CA 125.316 1.446 . . . . 10.0 112.11 174.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1956 ' ' ASP . . . . . . . . . . . . . 34.0 t70 . . . . . 0 N--CA 1.492 1.651 0 C-N-CA 125.503 1.521 . . . . 10.0 113.185 -179.095 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A 1868 ' ' VAL . . . . . . . . . . . . . 14.7 p . . . . . 0 CA--C 1.543 0.679 0 CA-C-O 121.542 0.687 . . . . 10.0 112.043 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A 1869 ' ' THR . . . . . . . . . . . . . 26.9 p -144.88 159.38 43.0 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 126.631 1.972 . . . . 10.0 112.889 -173.174 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1870 ' ' ALA . . . . . . . . . . . . . . . -120.15 143.43 48.21 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 128.756 2.822 . . . . 10.0 112.96 173.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1871 ' ' TYR . . . . . . . . . . . . . 15.7 p90 -156.79 163.91 38.69 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.458 1.503 . . . . 10.0 113.257 175.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1872 ' ' GLY . . . . . . . . . . . . . . . 124.59 166.71 12.49 Favored Glycine 0 CA--C 1.538 1.477 0 C-N-CA 126.262 1.887 . . . . 10.0 113.782 176.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1873 ' ' PRO . . . . . . . . . . . . . 25.4 Cg_exo -59.53 -37.82 86.58 Favored 'Trans proline' 0 CA--C 1.54 0.812 0 C-N-CA 123.768 2.979 . . . . 10.0 113.898 179.16 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1874 ' ' GLY . . . . . . . . . . . . . . . -57.66 -24.38 52.87 Favored Glycine 0 CA--C 1.531 1.048 0 C-N-CA 126.553 2.025 . . . . 10.0 116.066 -173.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1875 ' ' LEU . . . . . . . . . . . . . 24.6 mt -77.66 -12.49 59.97 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.131 1.372 . . . . 10.0 113.853 176.061 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1876 ' ' THR . . . . . . . . . . . . . 89.6 m -124.92 -39.28 2.27 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 126.018 1.727 . . . . 10.0 112.013 -171.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1877 ' ' HIS . . . . . . . . . . . . . 52.0 m-70 -132.53 172.49 12.43 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.787 1.635 . . . . 10.0 112.374 174.581 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1878 ' ' GLY . . . . . . . . . . . . . . . -155.11 176.1 32.88 Favored Glycine 0 CA--C 1.544 1.873 0 C-N-CA 124.009 0.814 . . . . 10.0 113.25 178.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1879 ' ' VAL . . . . . . . . . . . . . 17.7 t -132.96 112.06 17.71 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 C-N-CA 125.369 1.468 . . . . 10.0 109.603 175.321 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1880 ' ' VAL . . . . . . . . . . . . . 58.7 t -58.71 137.93 20.44 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.617 0 C-N-CA 123.108 0.563 . . . . 10.0 111.105 177.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1881 ' ' ASN . . . . . . . . . . . . . 4.7 m-80 61.31 7.79 1.85 Allowed 'General case' 0 CA--C 1.554 1.125 0 C-N-CA 126.728 2.011 . . . . 10.0 116.125 -176.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1882 ' ' LYS . . . . . . . . . . . . . 43.6 tptt -121.22 144.08 38.86 Favored Pre-proline 0 N--CA 1.478 0.95 0 CA-C-N 119.72 1.145 . . . . 10.0 110.846 171.227 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1883 ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -61.71 116.38 3.4 Favored 'Trans proline' 0 CA--C 1.542 0.898 0 C-N-CA 123.316 2.678 . . . . 10.0 112.975 -171.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1884 ' ' ALA . . . . . . . . . . . . . . . -86.36 148.14 25.72 Favored 'General case' 0 CA--C 1.559 1.311 0 C-N-CA 123.966 0.906 . . . . 10.0 111.737 171.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1885 ' ' THR . . . . . . . . . . . . . 72.1 p -147.01 166.2 27.56 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.835 0.854 . . . . 10.0 112.104 178.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1886 ' ' PHE . . . . . . . . . . . . . 10.4 p90 -148.36 172.51 14.29 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 126.572 1.949 . . . . 10.0 110.289 168.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1887 ' ' THR . . . . . . . . . . . . . 47.2 m -126.79 136.76 52.83 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-O 123.122 1.439 . . . . 10.0 110.468 172.038 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1888 ' ' VAL . . . . . . . . . . . . . 2.0 t -146.42 123.95 3.99 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.094 0 C-N-CA 129.11 2.964 . . . . 10.0 105.189 -167.063 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1889 ' ' ASN . . . . . . . . . . . . . 15.1 t-20 -130.39 119.48 22.78 Favored 'General case' 0 C--O 1.245 0.854 0 O-C-N 123.926 0.766 . . . . 10.0 110.603 -168.013 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 24.4 p -84.77 60.38 6.12 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 126.318 1.847 . . . . 10.0 114.141 -169.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1891 ' ' LYS . . . . . . . . . . . . . 56.3 mttm -63.65 126.67 28.32 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 125.184 1.394 . . . . 10.0 111.361 176.319 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 21.8 t70 59.32 11.4 2.16 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 126.222 1.809 . . . . 10.0 115.816 179.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1893 ' ' ALA . . . . . . . . . . . . . . . -69.79 -12.95 62.02 Favored 'General case' 0 CA--C 1.554 1.132 0 C-N-CA 125.173 1.389 . . . . 10.0 114.23 -179.043 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.278 0 C-N-CA 127.24 2.352 . . . . 10.0 113.889 179.99 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A 1898 ' ' LEU . . . . . . . . . . . . . 8.1 tt . . . . . 0 C--O 1.237 0.401 0 CA-C-O 120.896 0.379 . . . . 10.0 111.528 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A 1899 ' ' SER . . . . . . . . . . . . . 8.2 t -127.96 165.81 19.54 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.929 1.692 . . . . 10.0 110.26 169.138 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1900 ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -154.99 173.46 16.54 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 113.975 1.102 . . . . 10.0 113.975 172.338 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1901 ' ' ALA . . . . . . . . . . . . . . . -145.66 169.32 18.7 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.312 1.445 . . . . 10.0 111.482 168.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1902 ' ' ILE . . . . . . . . . . . . . 2.0 mp -125.52 129.38 72.84 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 126.511 1.924 . . . . 10.0 108.574 170.239 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1903 ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -127.97 177.09 7.11 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 126.489 1.916 . . . . 10.0 110.669 176.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1904 ' ' GLY . . . . . . . . . . . . . . . 154.61 -129.63 2.64 Favored Glycine 0 CA--C 1.53 0.983 0 C-N-CA 125.994 1.759 . . . . 10.0 111.257 174.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1905 ' ' PRO . . . . . . . . . . . . . 26.3 Cg_endo -76.27 -12.57 19.07 Favored 'Trans proline' 0 CA--C 1.544 1.02 0 C-N-CA 123.623 2.882 . . . . 10.0 112.993 170.138 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1906 ' ' SER . . . . . . . . . . . . . 16.1 t -156.81 176.79 12.27 Favored 'General case' 0 C--O 1.242 0.669 0 C-N-CA 128.107 2.563 . . . . 10.0 110.034 -166.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1907 ' ' LYS . . . . . . . . . . . . . 58.8 mttp -130.68 107.81 9.44 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 126.312 1.845 . . . . 10.0 110.208 177.114 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1908 ' ' ALA . . . . . . . . . . . . . . . -64.43 155.24 33.23 Favored 'General case' 0 CA--C 1.554 1.127 0 C-N-CA 124.355 1.062 . . . . 10.0 112.031 173.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1909 ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -77.84 97.98 5.43 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 124.142 0.977 . . . . 10.0 110.808 174.066 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1910 ' ' ILE . . . . . . . . . . . . . 22.2 mt -76.16 130.46 36.2 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.023 0 C-N-CA 124.939 1.296 . . . . 10.0 110.98 -178.147 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1911 ' ' SER . . . . . . . . . . . . . 26.5 m -131.35 155.12 47.79 Favored 'General case' 0 N--CA 1.466 0.375 0 C-N-CA 127.81 2.444 . . . . 10.0 111.522 173.58 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1912 ' ' CYS . . . . . . . . . . . . . 27.9 p -152.41 171.81 17.47 Favored 'General case' 0 CA--C 1.555 1.158 0 C-N-CA 124.581 1.153 . . . . 10.0 111.78 173.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1913 ' ' THR . . . . . . . . . . . . . 52.8 m -134.97 134.02 40.1 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 125.016 1.326 . . . . 10.0 109.544 177.014 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1914 ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -72.63 40.04 0.08 Allowed 'General case' 0 CA--C 1.558 1.275 0 C-N-CA 129.082 2.953 . . . . 10.0 114.489 -178.203 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1915 ' ' ASN . . . . . . . . . . . . . 58.4 t30 -61.71 117.37 5.72 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 125.641 1.576 . . . . 10.0 111.922 -177.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1916 ' ' GLN . . . . . . . . . . . . . 69.3 mm-40 -68.56 4.39 1.42 Allowed 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 125.469 1.507 . . . . 10.0 114.363 178.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1917 ' ' ASP . . . . . . . . . . . . . 15.9 t70 -75.18 -6.1 47.9 Favored 'General case' 0 C--O 1.245 0.834 0 CA-C-N 119.833 1.197 . . . . 10.0 112.452 168.18 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1918 ' ' GLY . . . . . . . . . . . . . . . 96.22 -2.02 63.08 Favored Glycine 0 CA--C 1.54 1.648 0 C-N-CA 125.583 1.563 . . . . 10.0 114.552 179.188 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1919 ' ' THR . . . . . . . . . . . . . 35.9 p -79.31 128.78 33.75 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 121.246 -1.149 . . . . 10.0 112.16 179.023 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1920 ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -94.5 75.9 3.83 Favored 'General case' 0 C--O 1.237 0.417 0 N-CA-C 107.091 -1.448 . . . . 10.0 107.091 168.674 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1921 ' ' SER . . . . . . . . . . . . . 40.4 m -69.73 69.11 0.28 Allowed 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 126.611 1.965 . . . . 10.0 112.99 -169.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1922 ' ' VAL . . . . . . . . . . . . . 53.7 t -70.02 123.39 23.73 Favored 'Isoleucine or valine' 0 C--O 1.245 0.85 0 C-N-CA 126.21 1.804 . . . . 10.0 110.918 177.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1923 ' ' SER . . . . . . . . . . . . . 80.4 p -123.87 148.92 46.38 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 125.275 1.43 . . . . 10.0 110.699 167.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1924 ' ' TYR . . . . . . . . . . . . . 12.0 p90 -157.56 172.16 19.06 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.714 1.206 . . . . 10.0 110.839 -176.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1925 ' ' LEU . . . . . . . . . . . . . 1.3 mt -140.52 92.92 8.94 Favored Pre-proline 0 CA--C 1.538 0.514 0 C-N-CA 124.117 0.967 . . . . 10.0 110.218 -174.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1926 ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -67.56 118.08 5.33 Favored 'Trans proline' 0 CA--C 1.533 0.435 0 C-N-CA 122.304 2.003 . . . . 10.0 112.371 173.015 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1927 ' ' VAL . . . . . . . . . . . . . 27.0 m -92.35 -6.21 10.66 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 O-C-N 120.638 -1.289 . . . . 10.0 113.982 -175.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1928 ' ' LEU . . . . . . . . . . . . . 2.7 tt -140.98 131.25 13.25 Favored Pre-proline 0 CA--C 1.543 0.678 0 C-N-CA 125.704 1.602 . . . . 10.0 112.49 -175.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1929 ' ' PRO . . . . . . . . . . . . . 19.1 Cg_exo -56.42 124.01 15.23 Favored 'Trans proline' 0 CA--C 1.543 0.947 0 C-N-CA 123.567 2.845 . . . . 10.0 113.182 177.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1930 ' ' GLY . . . . . . . . . . . . . . . -166.19 175.6 41.66 Favored Glycine 0 N--CA 1.479 1.503 0 N-CA-C 117.0 1.56 . . . . 10.0 117.0 -169.349 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1931 ' ' ASP . . . . . . . . . . . . . 81.2 m-20 -108.92 76.49 1.01 Allowed 'General case' 0 C--O 1.245 0.861 0 C-N-CA 126.844 2.058 . . . . 10.0 108.613 175.403 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1932 ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -74.21 151.15 40.02 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 120.9 -1.125 . . . . 10.0 111.467 -171.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1933 ' ' SER . . . . . . . . . . . . . 67.5 m -103.56 122.71 45.53 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 125.555 1.542 . . . . 10.0 110.506 171.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1934 ' ' ILE . . . . . . . . . . . . . 16.6 mm -85.83 109.98 19.17 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.67 0 N-CA-C 108.603 -0.888 . . . . 10.0 108.603 167.379 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1935 ' ' LEU . . . . . . . . . . . . . 2.6 mm? -89.45 84.04 6.39 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.8 1.24 . . . . 10.0 109.365 179.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1936 ' ' VAL . . . . . . . . . . . . . 22.0 t -80.81 98.35 3.71 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.228 0 O-C-N 120.543 -1.348 . . . . 10.0 110.98 178.189 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1937 ' ' LYS . . . . . . . . . . . . . 29.7 mtpt -99.84 84.25 2.87 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 128.182 2.593 . . . . 10.0 112.296 -175.186 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1938 ' ' TYR . . . . . . . . . . . . . 59.4 t80 -69.61 102.88 1.95 Allowed 'General case' 0 C--O 1.241 0.64 0 C-N-CA 123.497 0.719 . . . . 10.0 110.486 171.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1939 ' ' ASN . . . . . . . . . . . . . 14.7 t-20 50.32 62.49 2.65 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 125.561 1.544 . . . . 10.0 113.536 -169.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1940 ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 62.45 11.21 4.48 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 127.348 2.259 . . . . 10.0 116.167 171.365 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1941 ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -136.83 146.29 45.46 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.459 1.104 . . . . 10.0 110.614 169.439 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1942 ' ' HIS . . . . . . . . . . . . . 60.5 m-70 -65.83 143.03 57.73 Favored 'General case' 0 C--O 1.247 0.968 0 O-C-N 120.567 -1.333 . . . . 10.0 114.566 -169.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1943 ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -67.34 165.47 28.46 Favored Pre-proline 0 CA--C 1.544 0.722 0 C-N-CA 126.662 1.985 . . . . 10.0 112.671 174.739 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1944 ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -54.41 111.85 0.83 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 C-N-CA 125.136 3.891 . . . . 10.0 111.614 -176.175 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1945 ' ' GLY . . . . . . . . . . . . . . . 85.59 -2.63 87.89 Favored Glycine 0 CA--C 1.552 2.382 0 C-N-CA 125.986 1.755 . . . . 10.0 117.01 176.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1946 ' ' SER . . . . . . . . . . . . . 2.0 m -67.36 158.37 82.29 Favored Pre-proline 0 N--CA 1.483 1.208 0 CA-C-N 119.525 1.663 . . . . 10.0 112.602 172.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1947 ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -75.96 169.33 74.77 Favored 'Cis proline' 0 CA--C 1.547 1.161 0 N-CA-C 115.525 1.317 . . . . 10.0 115.525 -2.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1948 ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -107.09 117.17 33.35 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.797 1.639 . . . . 10.0 111.507 177.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1949 ' ' THR . . . . . . . . . . . . . 29.3 m -75.53 95.44 3.31 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 126.484 1.914 . . . . 10.0 111.22 177.005 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1950 ' ' ALA . . . . . . . . . . . . . . . -88.78 103.02 15.58 Favored 'General case' 0 C--O 1.243 0.743 0 C-N-CA 127.332 2.253 . . . . 10.0 113.846 178.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1951 ' ' ARG . . . . . . . . . . . . . 17.2 ttm180 -82.23 80.99 8.29 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 125.061 1.344 . . . . 10.0 112.702 -179.347 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1952 ' ' VAL . . . . . . . . . . . . . 3.0 t -59.22 100.13 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.548 0.901 0 C-N-CA 127.78 2.432 . . . . 10.0 112.731 169.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1953 ' ' THR . . . . . . . . . . . . . 7.2 t -73.75 151.48 40.64 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-O 121.229 0.537 . . . . 10.0 111.586 169.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1954 ' ' GLY . . . . . . . . . . . . . . . -117.21 161.21 13.22 Favored Glycine 0 CA--C 1.538 1.509 0 C-N-CA 125.337 1.446 . . . . 10.0 114.353 -175.013 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1955 ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -99.44 -5.74 28.88 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 126.348 1.859 . . . . 10.0 114.997 172.001 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1956 ' ' ASP . . . . . . . . . . . . . 28.4 t70 . . . . . 0 N--CA 1.484 1.25 0 C-N-CA 128.136 2.574 . . . . 10.0 112.75 -179.004 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A 1868 ' ' VAL . . . . . . . . . . . . . 14.1 p . . . . . 0 CA--C 1.546 0.795 0 N-CA-C 113.008 0.744 . . . . 10.0 113.008 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A 1869 ' ' THR . . . . . . . . . . . . . 49.7 p -145.83 164.22 32.6 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 126.41 1.884 . . . . 10.0 111.408 -179.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1870 ' ' ALA . . . . . . . . . . . . . . . -135.43 135.4 40.54 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.637 1.575 . . . . 10.0 110.515 173.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1871 ' ' TYR . . . . . . . . . . . . . 36.0 p90 -161.3 166.9 26.86 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.234 1.414 . . . . 10.0 112.111 -178.247 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1872 ' ' GLY . . . . . . . . . . . . . . . 133.08 170.4 12.44 Favored Glycine 0 CA--C 1.544 1.866 0 C-N-CA 126.025 1.774 . . . . 10.0 114.163 171.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1873 ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -73.31 -19.32 22.44 Favored 'Trans proline' 0 CA--C 1.546 1.101 0 C-N-CA 124.003 3.136 . . . . 10.0 112.993 -174.394 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1874 ' ' GLY . . . . . . . . . . . . . . . -58.96 -34.6 79.42 Favored Glycine 0 N--CA 1.476 1.31 0 O-C-N 120.781 -1.199 . . . . 10.0 113.622 172.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1875 ' ' LEU . . . . . . . . . . . . . 21.4 mt -70.85 -4.93 26.79 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 124.481 1.112 . . . . 10.0 113.754 174.313 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1876 ' ' THR . . . . . . . . . . . . . 46.7 m -114.61 -41.82 3.36 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 126.854 2.062 . . . . 10.0 113.253 176.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1877 ' ' HIS . . . . . . . . . . . . . 35.7 m80 -133.33 143.04 48.75 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.828 1.251 . . . . 10.0 113.087 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1878 ' ' GLY . . . . . . . . . . . . . . . -123.26 168.44 15.46 Favored Glycine 0 CA--C 1.547 2.093 0 C-N-CA 125.013 1.292 . . . . 10.0 113.38 177.002 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1879 ' ' VAL . . . . . . . . . . . . . 21.6 t -137.04 110.19 8.12 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 C-N-CA 125.23 1.412 . . . . 10.0 109.934 175.057 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1880 ' ' VAL . . . . . . . . . . . . . 58.3 t -55.38 127.96 14.95 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 C-N-CA 124.434 1.094 . . . . 10.0 110.967 -177.509 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1881 ' ' ASN . . . . . . . . . . . . . 81.2 m-20 64.27 15.11 9.19 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 127.558 2.343 . . . . 10.0 115.941 -177.257 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1882 ' ' LYS . . . . . 0.405 ' HA ' ' HD3' ' A' 1883 ' ' PRO . 47.5 tptt -125.14 134.45 25.76 Favored Pre-proline 0 C--N 1.355 0.814 0 CA-C-N 120.531 1.514 . . . . 10.0 111.274 170.202 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1883 ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' 1882 ' ' LYS . 31.6 Cg_exo -56.94 110.52 0.6 Allowed 'Trans proline' 0 C--N 1.358 1.056 0 C-N-CA 123.453 2.769 . . . . 10.0 113.281 -169.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1884 ' ' ALA . . . . . . . . . . . . . . . -81.16 153.36 27.29 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-O 122.104 0.954 . . . . 10.0 110.739 172.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1885 ' ' THR . . . . . . . . . . . . . 58.2 p -147.53 153.87 40.02 Favored 'General case' 0 N--CA 1.483 1.22 0 O-C-N 120.145 -1.597 . . . . 10.0 113.322 -176.25 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1886 ' ' PHE . . . . . . . . . . . . . 42.0 p90 -148.3 169.44 20.12 Favored 'General case' 0 C--O 1.239 0.548 0 C-N-CA 124.784 1.234 . . . . 10.0 112.401 167.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1887 ' ' THR . . . . . . . . . . . . . 93.8 m -103.12 131.4 50.16 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.977 1.311 . . . . 10.0 111.018 -174.106 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1888 ' ' VAL . . . . . . . . . . . . . 2.8 m -129.77 147.3 33.27 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.334 0 C-N-CA 125.594 1.558 . . . . 10.0 108.868 168.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1889 ' ' ASN . . . . . . . . . . . . . 3.4 t30 -129.96 76.82 1.75 Allowed 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.497 1.519 . . . . 10.0 111.521 -166.244 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 14.6 p -81.57 95.76 7.25 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 128.448 2.699 . . . . 10.0 111.643 -175.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1891 ' ' LYS . . . . . . . . . . . . . 60.5 pttt -57.8 -28.26 63.85 Favored 'General case' 0 N--CA 1.482 1.175 0 N-CA-C 113.167 0.802 . . . . 10.0 113.167 176.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 26.9 t70 -142.46 -66.55 0.39 Allowed 'General case' 0 CA--C 1.557 1.216 0 C-N-CA 125.045 1.338 . . . . 10.0 112.372 170.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1893 ' ' ALA . . . . . . . . . . . . . . . 55.66 -55.16 0.02 OUTLIER 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 128.721 2.808 . . . . 10.0 116.527 -174.097 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 2.035 0 C-N-CA 125.399 1.476 . . . . 10.0 113.703 177.495 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A 1898 ' ' LEU . . . . . . . . . . . . . 3.3 tt . . . . . 0 CA--C 1.544 0.714 0 N-CA-C 111.626 0.232 . . . . 10.0 111.626 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A 1899 ' ' SER . . . . . . . . . . . . . 19.8 t -132.25 150.84 52.07 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 126.192 1.797 . . . . 10.0 111.954 176.346 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1900 ' ' LEU . . . . . . . . . . . . . 72.7 mt -127.44 156.79 41.54 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 114.844 1.424 . . . . 10.0 114.844 -174.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1901 ' ' ALA . . . . . . . . . . . . . . . -152.84 159.67 43.05 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 125.417 1.487 . . . . 10.0 108.871 165.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1902 ' ' ILE . . . . . . . . . . . . . 1.1 mp -127.55 144.58 37.01 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.639 0 C-N-CA 126.148 1.779 . . . . 10.0 109.134 177.375 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1903 ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -123.8 161.18 25.77 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 125.491 1.517 . . . . 10.0 111.915 168.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1904 ' ' GLY . . . . . . . . . . . . . . . 153.12 -164.25 30.84 Favored Glycine 0 CA--C 1.54 1.618 0 C-N-CA 124.836 1.208 . . . . 10.0 112.865 -169.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1905 ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -71.48 -16.41 30.74 Favored 'Trans proline' 0 C--N 1.363 1.311 0 C-N-CA 122.594 2.196 . . . . 10.0 111.911 171.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1906 ' ' SER . . . . . . . . . . . . . 11.3 t -154.26 153.91 32.52 Favored 'General case' 0 C--O 1.243 0.751 0 C-N-CA 128.063 2.545 . . . . 10.0 110.976 -166.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1907 ' ' LYS . . . . . . . . . . . . . 99.4 mttt -99.92 134.97 42.04 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.984 0.914 . . . . 10.0 110.867 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1908 ' ' ALA . . . . . . . . . . . . . . . -71.9 165.16 24.72 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.777 0.831 . . . . 10.0 112.802 172.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1909 ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -106.43 104.11 13.73 Favored 'General case' 0 CA--C 1.553 1.092 0 C-N-CA 125.438 1.495 . . . . 10.0 109.354 171.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1910 ' ' ILE . . . . . . . . . . . . . 52.4 mt -95.54 142.75 13.2 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.151 0 C-N-CA 125.322 1.449 . . . . 10.0 113.145 -167.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1911 ' ' SER . . . . . . . . . . . . . 52.1 m -143.33 171.13 14.54 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 129.453 3.101 . . . . 10.0 111.117 176.353 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1912 ' ' CYS . . . . . . . . . . . . . 25.5 p -150.7 163.53 38.33 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 125.258 1.423 . . . . 10.0 113.468 179.074 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1913 ' ' THR . . . . . . . . . . . . . 79.0 m -144.73 120.51 10.55 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.186 0.994 . . . . 10.0 110.628 -179.256 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1914 ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -72.39 94.43 1.63 Allowed 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 123.513 0.725 . . . . 10.0 110.188 168.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1915 ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -82.9 162.71 21.48 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-O 122.661 1.219 . . . . 10.0 112.219 -178.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1916 ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -61.75 -24.7 66.99 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 127.136 2.175 . . . . 10.0 114.328 -178.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1917 ' ' ASP . . . . . . . . . . . . . 26.9 t70 -82.24 -3.8 55.83 Favored 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 125.352 1.461 . . . . 10.0 112.56 176.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1918 ' ' GLY . . . . . . . . . . . . . . . 88.39 1.89 80.55 Favored Glycine 0 CA--C 1.538 1.498 0 C-N-CA 124.823 1.202 . . . . 10.0 114.095 179.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1919 ' ' THR . . . . . . . . . . . . . 18.2 p -70.2 158.26 36.14 Favored 'General case' 0 C--O 1.242 0.661 0 C-N-CA 126.014 1.725 . . . . 10.0 111.874 171.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1920 ' ' CYS . . . . . . . . . . . . . 1.7 t -102.62 9.12 39.53 Favored 'General case' 0 CA--C 1.559 1.316 0 C-N-CA 124.475 1.11 . . . . 10.0 112.883 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1921 ' ' SER . . . . . . . . . . . . . 50.1 m 12.86 79.18 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.101 1 C-N-CA 132.161 4.185 . . . . 10.0 114.928 -179.478 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1922 ' ' VAL . . . . . . . . . . . . . 78.7 t -63.81 129.02 27.06 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 C-N-CA 123.541 0.736 . . . . 10.0 111.05 173.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1923 ' ' SER . . . . . . . . . . . . . 49.0 m -125.49 141.8 51.85 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 125.884 1.673 . . . . 10.0 110.176 169.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1924 ' ' TYR . . . . . . . . . . . . . 17.2 p90 -149.33 165.22 32.63 Favored 'General case' 0 C--O 1.235 0.322 0 O-C-N 121.634 -0.667 . . . . 10.0 111.985 -178.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1925 ' ' LEU . . . . . . . . . . . . . 4.2 mt -131.29 107.91 14.81 Favored Pre-proline 0 CA--C 1.547 0.843 0 O-C-N 121.511 -0.743 . . . . 10.0 110.807 -178.171 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1926 ' ' PRO . . . . . . . . . . . . . 80.2 Cg_endo -75.59 145.54 29.61 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 121.817 1.678 . . . . 10.0 109.594 168.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1927 ' ' VAL . . . . . . . . . . . . . 30.0 m -124.75 -6.13 6.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.925 0 C-N-CA 125.646 1.578 . . . . 10.0 114.586 -170.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1928 ' ' LEU . . . . . . . . . . . . . 5.2 tt -150.66 132.59 7.91 Favored Pre-proline 0 CA--C 1.554 1.111 0 C-N-CA 126.305 1.842 . . . . 10.0 110.472 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1929 ' ' PRO . . . . . . . . . . . . . 19.3 Cg_exo -55.03 133.81 60.2 Favored 'Trans proline' 0 C--N 1.353 0.796 0 C-N-CA 124.124 3.216 . . . . 10.0 113.558 -177.06 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1930 ' ' GLY . . . . . . . . . . . . . . . 177.43 178.73 47.28 Favored Glycine 0 CA--C 1.538 1.515 0 N-CA-C 116.75 1.46 . . . . 10.0 116.75 -178.246 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1931 ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -93.04 92.68 7.94 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 126.712 2.005 . . . . 10.0 110.134 174.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1932 ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -87.89 101.56 13.85 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.364 1.065 . . . . 10.0 110.281 -171.429 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1933 ' ' SER . . . . . . . . . . . . . 70.5 m -70.05 135.37 49.21 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 118.279 -0.867 . . . . 10.0 110.251 169.161 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1934 ' ' ILE . . . . . . . . . . . . . 7.5 mm -108.71 122.35 63.16 Favored 'Isoleucine or valine' 0 C--O 1.24 0.557 0 C-N-CA 125.475 1.51 . . . . 10.0 110.358 178.034 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1935 ' ' LEU . . . . . . . . . . . . . 2.7 mm? -113.09 79.54 1.25 Allowed 'General case' 0 C--O 1.236 0.384 0 C-N-CA 125.749 1.62 . . . . 10.0 109.001 -174.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1936 ' ' VAL . . . . . . . . . . . . . 20.6 t -81.48 125.17 39.55 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.268 0 O-C-N 121.064 -1.023 . . . . 10.0 109.016 175.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1937 ' ' LYS . . . . . . . . . . . . . 81.0 mttt -120.07 162.34 19.45 Favored 'General case' 0 C--O 1.241 0.639 0 C-N-CA 125.314 1.445 . . . . 10.0 112.017 170.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1938 ' ' TYR . . . . . . . . . . . . . 47.3 t80 -135.74 110.05 8.42 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 125.881 1.673 . . . . 10.0 110.695 170.24 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1939 ' ' ASN . . . . . . . . . . . . . 6.8 t30 65.59 -46.89 0.38 Allowed 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 129.132 2.973 . . . . 10.0 114.853 -176.16 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1940 ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -151.99 -29.93 0.16 Allowed 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 115.031 1.493 . . . . 10.0 115.031 -178.263 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1941 ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -123.58 160.27 27.41 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 125.547 1.539 . . . . 10.0 111.053 -168.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1942 ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -66.18 144.21 56.79 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-O 122.353 1.073 . . . . 10.0 111.453 179.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1943 ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -71.6 165.83 45.35 Favored Pre-proline 0 CA--C 1.55 0.977 0 C-N-CA 125.681 1.592 . . . . 10.0 112.332 -177.627 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1944 ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -55.62 110.43 0.55 Allowed 'Trans proline' 0 CA--C 1.538 0.708 0 C-N-CA 124.91 3.74 . . . . 10.0 111.82 -177.084 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1945 ' ' GLY . . . . . . . . . . . . . . . 91.49 -9.23 77.71 Favored Glycine 0 CA--C 1.534 1.221 0 C-N-CA 125.997 1.761 . . . . 10.0 115.695 -179.298 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1946 ' ' SER . . . . . . . . . . . . . 25.0 m -73.31 159.03 85.89 Favored Pre-proline 0 N--CA 1.482 1.148 0 CA-C-N 119.148 1.474 . . . . 10.0 112.653 173.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1947 ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -72.33 167.67 76.67 Favored 'Cis proline' 0 CA--C 1.552 1.391 0 CA-C-N 120.093 1.069 . . . . 10.0 113.198 -6.071 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1948 ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -121.55 165.92 14.97 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 126.971 2.108 . . . . 10.0 110.593 176.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1949 ' ' THR . . . . . . . . . . . . . 21.5 m -139.24 101.31 4.23 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 126.18 1.792 . . . . 10.0 111.243 176.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1950 ' ' ALA . . . . . . . . . . . . . . . -81.3 160.94 24.06 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.426 1.09 . . . . 10.0 112.669 172.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1951 ' ' ARG . . . . . . . . . . . . . 55.0 ttt180 -118.23 94.86 4.65 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 126.314 1.846 . . . . 10.0 111.118 171.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1952 ' ' VAL . . . . . . . . . . . . . 2.3 t -72.14 90.99 0.45 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.688 0 C-N-CA 126.345 1.858 . . . . 10.0 110.598 170.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1953 ' ' THR . . . . . . . . . . . . . 14.6 t -70.34 150.3 46.46 Favored 'General case' 0 N--CA 1.484 1.237 0 CA-C-O 120.852 0.358 . . . . 10.0 110.066 169.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1954 ' ' GLY . . . . . . . . . . . . . . . -123.48 141.36 13.61 Favored Glycine 0 CA--C 1.522 0.528 0 C-N-CA 124.999 1.285 . . . . 10.0 113.053 -170.199 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1955 ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -109.28 -4.73 16.24 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 126.588 1.955 . . . . 10.0 113.662 173.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1956 ' ' ASP . . . . . . . . . . . . . 38.6 t70 . . . . . 0 N--CA 1.478 0.929 0 C-N-CA 127.779 2.432 . . . . 10.0 113.278 176.836 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A 1868 ' ' VAL . . . . . . . . . . . . . 10.2 p . . . . . 0 CA--C 1.539 0.523 0 CA-C-O 122.473 1.13 . . . . 10.0 112.745 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A 1869 ' ' THR . . . . . . . . . . . . . 40.1 p -140.41 169.86 16.88 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 127.65 2.38 . . . . 10.0 109.84 176.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1870 ' ' ALA . . . . . . . . . . . . . . . -135.44 135.87 40.89 Favored 'General case' 0 CA--C 1.559 1.29 0 C-N-CA 124.55 1.14 . . . . 10.0 110.399 175.623 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1871 ' ' TYR . . . . . . . . . . . . . 50.8 p90 -155.99 167.74 29.45 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.753 1.621 . . . . 10.0 113.385 179.444 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1872 ' ' GLY . . . . . . . . . . . . . . . 131.36 165.36 11.42 Favored Glycine 0 C--N 1.349 1.3 0 C-N-CA 125.796 1.665 . . . . 10.0 114.402 176.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1873 ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -69.85 -27.32 26.18 Favored 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 123.087 2.525 . . . . 10.0 113.875 -176.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1874 ' ' GLY . . . . . . . . . . . . . . . -68.6 -6.38 49.49 Favored Glycine 0 CA--C 1.539 1.563 0 CA-C-O 118.506 -1.163 . . . . 10.0 115.839 178.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1875 ' ' LEU . . . . . . . . . . . . . 34.1 mt -90.09 -5.24 56.75 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 119.042 1.421 . . . . 10.0 112.812 169.309 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1876 ' ' THR . . . . . . . . . . . . . 23.8 m -129.38 -42.35 1.34 Allowed 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 124.626 1.17 . . . . 10.0 112.306 -168.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1877 ' ' HIS . . . . . . . . . . . . . 69.7 t60 -133.26 166.11 23.23 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 126.656 1.983 . . . . 10.0 110.959 177.04 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1878 ' ' GLY . . . . . . . . . . . . . . . -150.04 174.05 29.58 Favored Glycine 0 N--CA 1.471 1.022 0 C-N-CA 124.25 0.929 . . . . 10.0 113.341 -177.101 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1879 ' ' VAL . . . . . . . . . . . . . 14.2 p -148.26 147.04 17.38 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 C-N-CA 127.438 2.295 . . . . 10.0 107.595 175.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1880 ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -111.34 151.5 13.44 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 CA-C-O 122.611 1.196 . . . . 10.0 114.122 -167.338 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1881 ' ' ASN . . . . . . . . . . . . . 55.1 m-80 57.99 11.65 1.53 Allowed 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 127.903 2.481 . . . . 10.0 115.181 -168.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1882 ' ' LYS . . . . . . . . . . . . . 8.0 pttt -137.39 162.11 56.97 Favored Pre-proline 0 CA--C 1.55 0.967 0 C-N-CA 126.212 1.805 . . . . 10.0 109.175 168.368 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1883 ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -69.99 153.81 67.47 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.131 1.887 . . . . 10.0 113.906 -172.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1884 ' ' ALA . . . . . . . . . . . . . . . -135.96 151.88 50.39 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 126.577 1.951 . . . . 10.0 110.44 168.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1885 ' ' THR . . . . . . . . . . . . . 27.9 p -149.6 163.02 39.02 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 121.198 -0.939 . . . . 10.0 113.17 -169.171 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1886 ' ' PHE . . . . . . . . . . . . . 48.6 p90 -146.82 176.49 9.84 Favored 'General case' 0 C--O 1.241 0.656 0 C-N-CA 124.692 1.197 . . . . 10.0 111.446 169.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1887 ' ' THR . . . . . . . . . . . . . 43.1 m -119.05 135.57 54.57 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 125.603 1.561 . . . . 10.0 111.155 -173.192 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1888 ' ' VAL . . . . . . . . . . . . . 1.3 m -139.45 153.71 24.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 126.205 1.802 . . . . 10.0 108.544 170.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1889 ' ' ASN . . . . . . . . . . . . . 44.4 t30 -141.35 90.03 2.27 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 114.732 -1.122 . . . . 10.0 112.957 -168.471 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 9.3 p -80.15 2.87 22.48 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.609 1.564 . . . . 10.0 114.968 -175.244 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1891 ' ' LYS . . . . . . . . . . . . . 24.0 mtpt -60.84 135.3 57.74 Favored 'General case' 0 N--CA 1.473 0.719 0 O-C-N 121.03 -1.044 . . . . 10.0 111.742 177.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 20.2 m-20 55.17 15.55 1.31 Allowed 'General case' 0 CA--C 1.559 1.296 0 C-N-CA 128.985 2.914 . . . . 10.0 114.507 179.074 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1893 ' ' ALA . . . . . . . . . . . . . . . -67.58 -23.51 65.4 Favored 'General case' 0 C--N 1.352 0.693 0 N-CA-C 115.208 1.559 . . . . 10.0 115.208 -178.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.055 0 CA-C-O 123.286 1.492 . . . . 10.0 112.187 -177.014 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A 1898 ' ' LEU . . . . . . . . . . . . . 7.0 tt . . . . . 0 C--O 1.24 0.589 0 CA-C-O 120.91 0.386 . . . . 10.0 111.416 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A 1899 ' ' SER . . . . . . . . . . . . . 35.6 t -135.83 133.59 37.97 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 125.024 1.33 . . . . 10.0 110.223 171.428 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1900 ' ' LEU . . . . . . . . . . . . . 3.2 pp -141.83 167.15 22.83 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 124.895 1.278 . . . . 10.0 114.034 170.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1901 ' ' ALA . . . . . . . . . . . . . . . -148.42 164.02 35.36 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.308 1.443 . . . . 10.0 111.754 170.036 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1902 ' ' ILE . . . . . . . . . . . . . 1.4 mp -114.99 144.95 21.4 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 C-N-CA 124.997 1.319 . . . . 10.0 109.241 168.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1903 ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -129.12 160.07 34.01 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 126.221 1.809 . . . . 10.0 110.929 173.24 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1904 ' ' GLY . . . . . . . . . . . . . . . 163.57 -173.86 39.72 Favored Glycine 0 N--CA 1.474 1.171 0 C-N-CA 124.092 0.853 . . . . 10.0 112.959 -173.491 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1905 ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -72.71 -27.23 15.27 Favored 'Trans proline' 0 N--CA 1.483 0.898 0 C-N-CA 123.06 2.507 . . . . 10.0 112.927 178.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1906 ' ' SER . . . . . . . . . . . . . 7.8 t -145.39 47.03 1.3 Allowed 'General case' 0 N--CA 1.481 1.077 0 CA-C-O 124.163 1.935 . . . . 10.0 111.799 -165.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1907 ' ' LYS . . . . . . . . . . . . . 88.5 tttt -28.84 110.7 0.05 Allowed 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 130.551 3.54 . . . . 10.0 113.886 -174.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1908 ' ' ALA . . . . . . . . . . . . . . . -65.94 153.12 42.94 Favored 'General case' 0 C--O 1.243 0.714 0 C-N-CA 125.826 1.65 . . . . 10.0 112.545 177.507 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1909 ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -76.01 140.64 42.07 Favored 'General case' 0 CA--C 1.552 1.047 0 O-C-N 121.75 -0.594 . . . . 10.0 112.056 172.11 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1910 ' ' ILE . . . . . . . . . . . . . 32.9 mm -85.09 132.96 30.46 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.681 0 C-N-CA 125.233 1.413 . . . . 10.0 111.068 178.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1911 ' ' SER . . . . . . . . . . . . . 8.7 t -144.53 173.44 11.8 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 126.696 1.998 . . . . 10.0 110.515 169.481 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1912 ' ' CYS . . . . . . . . . . . . . 30.1 p -150.44 175.09 12.19 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 120.004 1.275 . . . . 10.0 112.836 173.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1913 ' ' THR . . . . . . . . . . . . . 15.2 t -60.24 150.08 31.25 Favored 'General case' 0 C--O 1.247 0.972 0 O-C-N 121.76 -0.588 . . . . 10.0 111.188 171.047 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1914 ' ' ASP . . . . . . . . . . . . . 33.8 t70 -66.92 -60.03 3.0 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.355 0.662 . . . . 10.0 110.865 171.216 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1915 ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -165.03 164.8 20.44 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 127.214 2.206 . . . . 10.0 110.788 167.2 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1916 ' ' GLN . . . . . . . . . . . . . 57.7 tp60 -150.36 -56.11 0.17 Allowed 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.378 1.471 . . . . 10.0 109.589 171.49 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1917 ' ' ASP . . . . . . . . . . . . . 35.7 t70 -146.86 -20.52 0.41 Allowed 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 114.3 1.222 . . . . 10.0 114.3 -178.21 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1918 ' ' GLY . . . . . . . . . . . . . . . 136.43 8.45 1.52 Allowed Glycine 0 CA--C 1.543 1.784 0 C-N-CA 125.727 1.632 . . . . 10.0 114.544 -172.04 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1919 ' ' THR . . . . . . . . . . . . . 20.0 p -66.86 168.94 8.85 Favored 'General case' 0 C--O 1.243 0.726 0 C-N-CA 126.802 2.041 . . . . 10.0 113.109 168.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1920 ' ' CYS . . . . . . . . . . . . . 4.1 t -121.72 15.92 11.05 Favored 'General case' 0 CA--C 1.556 1.209 0 C-N-CA 125.594 1.558 . . . . 10.0 111.852 173.624 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1921 ' ' SER . . . . . . . . . . . . . 63.0 m -37.46 103.25 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 128.438 2.695 . . . . 10.0 114.912 -167.409 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1922 ' ' VAL . . . . . . . . . . . . . 53.4 t -80.93 141.02 15.78 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 C-N-CA 126.016 1.726 . . . . 10.0 111.624 -173.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1923 ' ' SER . . . . . . . . . . . . . 55.4 m -127.26 140.78 51.99 Favored 'General case' 0 C--O 1.241 0.607 0 C-N-CA 127.487 2.315 . . . . 10.0 111.704 178.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1924 ' ' TYR . . . . . . . . . . . . . 24.4 p90 -140.38 168.57 19.5 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 125.342 1.457 . . . . 10.0 111.196 177.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1925 ' ' LEU . . . . . . . . . . . . . 1.1 tt -150.88 85.39 5.17 Favored Pre-proline 0 N--CA 1.481 1.096 0 O-C-N 120.791 -1.193 . . . . 10.0 109.681 -173.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1926 ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -74.48 158.2 44.35 Favored 'Trans proline' 0 N--CA 1.454 -0.821 0 C-N-CA 122.472 2.114 . . . . 10.0 111.37 -173.287 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1927 ' ' VAL . . . . . . . . . . . . . 35.5 m -124.72 -11.37 5.96 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 N-CA-C 114.325 1.231 . . . . 10.0 114.325 -173.402 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1928 ' ' LEU . . . . . . . . . . . . . 4.1 tt -142.38 130.48 11.57 Favored Pre-proline 0 CA--C 1.558 1.283 0 C-N-CA 125.549 1.54 . . . . 10.0 110.233 169.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1929 ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo -54.34 162.22 4.64 Favored 'Trans proline' 0 CA--C 1.536 0.612 0 C-N-CA 124.228 3.285 . . . . 10.0 116.097 -178.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1930 ' ' GLY . . . . . . . . . . . . . . . 161.98 -177.04 38.36 Favored Glycine 0 C--N 1.346 1.12 0 O-C-N 120.796 -1.19 . . . . 10.0 115.194 -171.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1931 ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -100.65 96.01 7.06 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.139 1.376 . . . . 10.0 109.271 174.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1932 ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -89.63 99.1 12.17 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 126.659 1.984 . . . . 10.0 112.036 -172.133 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1933 ' ' SER . . . . . . . . . . . . . 67.0 m -68.62 144.08 54.61 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.006 0.522 . . . . 10.0 110.984 175.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1934 ' ' ILE . . . . . . . . . . . . . 2.4 mm -121.9 116.05 48.16 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.854 0 C-N-CA 126.838 2.055 . . . . 10.0 109.391 175.43 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1935 ' ' LEU . . . . . . . . . . . . . 2.7 mm? -109.78 79.33 1.2 Allowed 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 125.369 1.468 . . . . 10.0 111.392 -169.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1936 ' ' VAL . . . . . . . . . . . . . 4.6 t -92.71 125.13 45.33 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.294 0 C-N-CA 123.925 0.89 . . . . 10.0 111.324 -174.091 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1937 ' ' LYS . . . . . . . . . . . . . 51.5 mttp -126.31 155.82 41.39 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 125.995 1.718 . . . . 10.0 114.014 174.065 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1938 ' ' TYR . . . . . . . . . . . . . 18.8 t80 -144.35 127.93 17.07 Favored 'General case' 0 C--O 1.239 0.539 0 C-N-CA 125.22 1.408 . . . . 10.0 108.18 169.022 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1939 ' ' ASN . . . . . . . . . . . . . 48.0 t30 48.59 63.96 1.88 Allowed 'General case' 0 CA--C 1.555 1.138 0 C-N-CA 126.051 1.741 . . . . 10.0 113.102 -171.593 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1940 ' ' GLU . . . . . . . . . . . . 0.324 10.9 pt-20 52.72 9.53 0.12 Allowed 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 130.432 3.493 . . . . 10.0 117.767 179.654 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1941 ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -127.95 151.34 49.23 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 126.732 2.013 . . . . 10.0 109.98 -178.342 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1942 ' ' HIS . . . . . . . . . . . . . 73.3 m-70 -64.61 149.55 48.67 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-N 120.983 1.719 . . . . 10.0 113.123 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1943 ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -68.82 165.9 32.61 Favored Pre-proline 0 CA--C 1.542 0.663 0 C-N-CA 125.966 1.706 . . . . 10.0 112.499 174.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1944 ' ' PRO . . . . . . . . . . . . . 57.5 Cg_exo -54.15 101.0 0.07 OUTLIER 'Trans proline' 0 CA--C 1.55 1.298 1 C-N-CA 126.079 4.519 . . . . 10.0 113.007 -177.097 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1945 ' ' GLY . . . . . . . . . . . . . . . 95.66 -6.05 67.36 Favored Glycine 0 CA--C 1.535 1.308 0 C-N-CA 125.991 1.758 . . . . 10.0 116.086 179.074 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1946 ' ' SER . . . . . . . . . . . . . 48.7 m -75.34 159.77 81.36 Favored Pre-proline 0 CA--C 1.553 1.064 0 C-N-CA 124.669 1.187 . . . . 10.0 113.09 175.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1947 ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -70.63 164.87 80.62 Favored 'Cis proline' 0 N--CA 1.492 1.4 0 CA-C-N 119.978 1.028 . . . . 10.0 112.475 -3.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1948 ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -119.5 165.63 14.15 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 126.186 1.794 . . . . 10.0 111.601 176.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1949 ' ' THR . . . . . . . . . . . . . 52.3 m -145.16 107.91 4.47 Favored 'General case' 0 N--CA 1.483 1.207 0 O-C-N 120.75 -1.219 . . . . 10.0 109.662 171.609 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1950 ' ' ALA . . . . . . . . . . . . . . . -78.04 160.78 27.91 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 123.829 0.852 . . . . 10.0 112.095 171.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1951 ' ' ARG . . . . . . . . . . . . . 53.4 ttt85 -127.89 95.99 4.37 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 113.649 0.981 . . . . 10.0 113.649 173.268 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1952 ' ' VAL . . . . . . . . . . . . . 26.0 t -57.57 134.89 22.01 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 129.048 2.939 . . . . 10.0 112.581 171.485 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1953 ' ' THR . . . . . . . . . . . . . 6.7 t -109.04 158.94 17.26 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.832 1.253 . . . . 10.0 112.02 171.247 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1954 ' ' GLY . . . . . . . . . . . . . . . -88.0 166.7 35.62 Favored Glycine 0 CA--C 1.542 1.77 0 N-CA-C 116.851 1.5 . . . . 10.0 116.851 -169.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1955 ' ' ASP . . . . . . . . . . . . . 25.7 t70 -75.24 -38.92 60.38 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.891 1.276 . . . . 10.0 111.72 172.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1956 ' ' ASP . . . . . . . . . . . . . 35.0 t70 . . . . . 0 C--O 1.249 1.053 0 C-N-CA 125.843 1.657 . . . . 10.0 112.63 175.04 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A 1868 ' ' VAL . . . . . . . . . . . . . 6.3 p . . . . . 0 N--CA 1.482 1.158 0 N-CA-C 109.696 -0.483 . . . . 10.0 109.696 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A 1869 ' ' THR . . . . . . . . . . . . . 64.9 p -142.59 159.26 42.59 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.651 0.781 . . . . 10.0 109.954 179.558 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1870 ' ' ALA . . . . . . . . . . . . . . . -120.76 138.17 54.14 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 124.068 0.947 . . . . 10.0 110.763 176.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1871 ' ' TYR . . . . . . . . . . . . . 49.6 p90 -154.43 153.18 31.12 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.884 1.274 . . . . 10.0 112.314 -175.624 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1872 ' ' GLY . . . . . . . . . . . . . . . 139.6 167.23 10.91 Favored Glycine 0 N--CA 1.478 1.476 0 C-N-CA 126.283 1.896 . . . . 10.0 112.57 -179.04 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1873 ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -66.15 -25.97 50.25 Favored 'Trans proline' 0 N--CA 1.478 0.57 0 C-N-CA 122.966 2.444 . . . . 10.0 111.622 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1874 ' ' GLY . . . . . . . . . . . . . . . -64.44 -7.36 26.21 Favored Glycine 0 CA--C 1.532 1.154 0 N-CA-C 116.582 1.393 . . . . 10.0 116.582 178.26 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1875 ' ' LEU . . . . . . . . . . . . . 72.1 mt -92.91 -11.55 33.16 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 119.082 1.441 . . . . 10.0 113.491 173.604 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1876 ' ' THR . . . . . . . . . . . . . 75.1 p -126.98 -28.81 2.86 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 114.529 1.307 . . . . 10.0 114.529 -176.357 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1877 ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -138.58 174.25 10.73 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 126.601 1.96 . . . . 10.0 110.679 178.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1878 ' ' GLY . . . . . . . . . . . . . . . -160.99 176.43 37.58 Favored Glycine 0 CA--C 1.54 1.649 0 O-C-N 121.161 -0.962 . . . . 10.0 113.535 176.05 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1879 ' ' VAL . . . . . . . . . . . . . 7.2 p -138.24 144.3 30.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 124.853 1.261 . . . . 10.0 110.994 174.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1880 ' ' VAL . . . . . . . . . . . . . 82.7 t -92.59 143.14 12.01 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 C-N-CA 127.005 2.122 . . . . 10.0 112.028 -169.1 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1881 ' ' ASN . . . . . . . . . . . . . 72.8 m-20 57.49 10.81 1.05 Allowed 'General case' 0 CA--C 1.554 1.112 0 C-N-CA 128.909 2.884 . . . . 10.0 116.662 179.192 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1882 ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -137.11 141.58 34.98 Favored Pre-proline 0 N--CA 1.478 0.936 0 O-C-N 120.121 -1.612 . . . . 10.0 108.785 167.61 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1883 ' ' PRO . . . . . . . . . . . . . 64.5 Cg_exo -52.77 140.98 55.97 Favored 'Trans proline' 0 C--O 1.245 0.85 0 C-N-CA 124.358 3.372 . . . . 10.0 115.002 -173.398 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1884 ' ' ALA . . . . . . . . . . . . . . . -121.66 157.59 30.53 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 126.724 2.01 . . . . 10.0 110.875 173.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1885 ' ' THR . . . . . . . . . . . . . 57.6 p -148.43 161.91 40.65 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 115.947 1.832 . . . . 10.0 115.947 -170.119 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1886 ' ' PHE . . . . . . . . . . . . . 54.7 p90 -157.16 165.22 36.6 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 127.273 2.229 . . . . 10.0 112.158 166.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1887 ' ' THR . . . . . . . . . . . . . 22.5 m -106.71 151.2 25.43 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 126.222 1.809 . . . . 10.0 111.469 -175.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1888 ' ' VAL . . . . . . . . . . . . . 2.2 m -146.92 49.65 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 C-N-CA 126.877 2.071 . . . . 10.0 110.924 -167.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1889 ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -50.77 120.16 4.52 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 126.836 2.055 . . . . 10.0 114.375 -172.704 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 62.2 p -100.56 13.16 35.59 Favored 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 127.965 2.506 . . . . 10.0 113.829 -172.497 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1891 ' ' LYS . . . . . . . . . . . . . 99.4 mttt -62.68 120.57 11.46 Favored 'General case' 0 C--O 1.239 0.525 0 C-N-CA 125.522 1.529 . . . . 10.0 110.462 -176.176 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 19.6 t70 53.5 26.08 5.27 Favored 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 128.359 2.664 . . . . 10.0 114.329 -176.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1893 ' ' ALA . . . . . . . . . . . . . . . -62.45 -44.7 95.77 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 126.274 1.83 . . . . 10.0 115.259 -175.158 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 1.76 0 C-N-CA 123.402 0.525 . . . . 10.0 113.894 -169.978 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A 1898 ' ' LEU . . . . . . . . . . . . . 6.5 tt . . . . . 0 CA--C 1.547 0.863 0 CA-C-O 121.239 0.542 . . . . 10.0 110.613 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A 1899 ' ' SER . . . . . . . . . . . . . 69.3 m -135.76 128.55 31.06 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 126.356 1.862 . . . . 10.0 110.796 178.65 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1900 ' ' LEU . . . . . . . . . . . . . 3.4 pp -145.35 167.37 23.06 Favored 'General case' 0 C--O 1.237 0.446 0 N-CA-C 113.973 1.101 . . . . 10.0 113.973 172.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1901 ' ' ALA . . . . . . . . . . . . . . . -147.88 161.72 40.73 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 114.809 -1.087 . . . . 10.0 110.369 168.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1902 ' ' ILE . . . . . . . . . . . . . 2.1 mp -109.37 124.44 66.06 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 N-CA-C 107.252 -1.388 . . . . 10.0 107.252 168.426 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1903 ' ' GLU . . . . . . . . . . . . . 39.3 mm-40 -104.88 165.25 11.2 Favored 'General case' 0 C--O 1.218 -0.585 0 C-N-CA 127.076 2.151 . . . . 10.0 110.259 168.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1904 ' ' GLY . . . . . . . . . . . . . . . 171.71 -172.18 44.49 Favored Glycine 0 CA--C 1.533 1.191 0 C-N-CA 123.565 0.602 . . . . 10.0 112.705 -179.274 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1905 ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -72.19 -23.24 21.39 Favored 'Trans proline' 0 C--N 1.358 1.036 0 C-N-CA 123.245 2.63 . . . . 10.0 113.081 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1906 ' ' SER . . . . . . . . . . . . . 11.7 t -142.04 13.51 2.05 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 126.125 1.77 . . . . 10.0 114.755 -166.07 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1907 ' ' LYS . . . . . . . . . . . . . 55.4 tptt 45.47 98.91 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.562 0 C-N-CA 128.97 2.908 . . . . 10.0 116.248 168.544 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1908 ' ' ALA . . . . . . . . . . . . . . . -65.44 153.3 41.72 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.955 0.902 . . . . 10.0 112.881 173.514 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1909 ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -88.6 118.65 28.41 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 124.542 1.137 . . . . 10.0 111.515 175.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1910 ' ' ILE . . . . . . . . . . . . . 22.2 mm -83.64 131.89 32.77 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.3 0 C-N-CA 125.308 1.443 . . . . 10.0 111.242 -173.106 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1911 ' ' SER . . . . . . . . . . . . . 57.7 m -140.8 162.53 35.22 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 126.375 1.87 . . . . 10.0 109.416 170.059 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1912 ' ' CYS . . . . . . . . . . . . . 28.9 p -151.71 168.44 25.03 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.373 1.069 . . . . 10.0 112.234 176.484 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1913 ' ' THR . . . . . . . . . . . . . 9.5 m -106.51 149.33 27.22 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.958 1.303 . . . . 10.0 111.859 -177.175 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1914 ' ' ASP . . . . . . . . . . . . . 36.6 p-10 -109.6 7.79 24.71 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 126.017 1.727 . . . . 10.0 115.612 -168.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1915 ' ' ASN . . . . . . . . . . . . . 31.9 m120 -63.82 119.99 11.05 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.84 1.256 . . . . 10.0 112.176 172.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1916 ' ' GLN . . . . . . . . . . . . . 55.3 mt-30 -74.13 56.91 0.63 Allowed 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 126.612 1.965 . . . . 10.0 112.924 179.129 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1917 ' ' ASP . . . . . . . . . . . . . 29.6 t70 -111.63 4.65 18.79 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 126.265 1.826 . . . . 10.0 114.287 -175.501 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1918 ' ' GLY . . . . . . . . . . . . . . . 94.2 34.1 6.59 Favored Glycine 0 CA--C 1.542 1.722 0 C-N-CA 124.623 1.106 . . . . 10.0 115.062 179.348 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1919 ' ' THR . . . . . . . . . . . . . 15.3 t -151.56 171.93 16.82 Favored 'General case' 0 N--CA 1.483 1.212 0 CA-C-O 122.02 0.914 . . . . 10.0 112.85 172.298 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1920 ' ' CYS . . . . . . . . . . . . . 3.4 t -122.31 29.37 7.01 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 128.038 2.535 . . . . 10.0 111.985 -179.121 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1921 ' ' SER . . . . . . . . . . . . . 68.3 m -33.02 119.99 0.34 Allowed 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 129.759 3.224 . . . . 10.0 114.313 -166.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1922 ' ' VAL . . . . . . . . . . . . . 52.6 t -105.21 132.06 52.95 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 C-N-CA 126.011 1.725 . . . . 10.0 110.804 -169.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1923 ' ' SER . . . . . . . . . . . . . 52.1 m -122.24 121.7 37.41 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 127.072 2.149 . . . . 10.0 110.085 173.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1924 ' ' TYR . . . . . . . . . . . . . 25.2 p90 -121.78 164.9 16.68 Favored 'General case' 0 C--O 1.232 0.172 0 C-N-CA 124.34 1.056 . . . . 10.0 111.314 177.277 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1925 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -146.04 89.77 5.96 Favored Pre-proline 0 CA--C 1.546 0.802 0 O-C-N 121.098 -1.001 . . . . 10.0 111.525 -174.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1926 ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -76.87 131.13 11.94 Favored 'Trans proline' 0 CA--C 1.538 0.681 0 C-N-CA 123.652 2.901 . . . . 10.0 111.503 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1927 ' ' VAL . . . . . . . . . . . . . 34.5 m -85.97 -18.86 8.66 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 N-CA-C 114.209 1.189 . . . . 10.0 114.209 -178.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1928 ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -138.58 161.42 58.8 Favored Pre-proline 0 N--CA 1.474 0.763 0 C-N-CA 125.801 1.64 . . . . 10.0 111.978 170.406 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1929 ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -70.26 163.01 40.22 Favored 'Trans proline' 0 CA--C 1.537 0.663 0 C-N-CA 124.705 3.603 . . . . 10.0 112.443 177.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1930 ' ' GLY . . . . . . . . . . . . . . . 160.09 179.67 35.04 Favored Glycine 0 N--CA 1.47 0.914 0 CA-C-O 122.009 0.783 . . . . 10.0 114.76 177.269 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1931 ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -92.53 86.72 5.7 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 124.85 1.26 . . . . 10.0 110.244 170.262 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1932 ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -78.95 154.6 29.48 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 124.425 1.09 . . . . 10.0 109.994 178.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1933 ' ' SER . . . . . . . . . . . . . 27.1 t -129.11 122.28 29.57 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 124.937 1.295 . . . . 10.0 110.178 -173.253 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1934 ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -94.03 113.7 29.21 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.501 0 C-N-CA 126.6 1.96 . . . . 10.0 108.822 -178.686 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1935 ' ' LEU . . . . . . . . . . . . . 2.8 mm? -99.1 89.88 4.41 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 125.455 1.502 . . . . 10.0 110.664 177.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1936 ' ' VAL . . . . . . . . . . . . . 4.1 t -90.63 133.26 32.97 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.439 0 O-C-N 119.771 -1.83 . . . . 10.0 110.813 179.561 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1937 ' ' LYS . . . . . . . . . . . . . 63.0 mttm -130.02 151.71 50.27 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 127.888 2.475 . . . . 10.0 111.646 171.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1938 ' ' TYR . . . . . . . . . . . . . 36.8 t80 -139.88 109.39 6.23 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.502 1.521 . . . . 10.0 109.269 169.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1939 ' ' ASN . . . . . . . . . . . . . 8.5 t-20 52.49 73.99 0.31 Allowed 'General case' 0 CA--C 1.556 1.183 0 C-N-CA 125.365 1.466 . . . . 10.0 112.648 -169.255 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1940 ' ' GLU . . . . . . . . . . . . . 3.7 tp10 73.29 -26.27 0.19 Allowed 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 128.8 2.84 . . . . 10.0 115.096 172.167 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1941 ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -116.88 151.14 37.22 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 125.302 1.441 . . . . 10.0 111.793 -170.59 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1942 ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -67.27 153.7 43.06 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-O 122.7 1.238 . . . . 10.0 112.771 -172.117 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1943 ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -71.96 165.81 46.53 Favored Pre-proline 0 CA--C 1.543 0.678 0 C-N-CA 125.749 1.62 . . . . 10.0 112.259 175.005 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1944 ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -58.57 111.49 0.89 Allowed 'Trans proline' 0 CA--C 1.548 1.217 0 C-N-CA 124.833 3.688 . . . . 10.0 112.534 -175.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1945 ' ' GLY . . . . . . . . . . . . . . . 85.75 -5.72 82.86 Favored Glycine 0 CA--C 1.533 1.204 0 C-N-CA 124.832 1.206 . . . . 10.0 116.076 179.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1946 ' ' SER . . . . . . . . . . . . . 46.6 m -68.77 158.72 85.05 Favored Pre-proline 0 N--CA 1.478 0.969 0 CA-C-N 119.098 1.449 . . . . 10.0 113.211 176.415 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1947 ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -75.68 170.42 71.87 Favored 'Cis proline' 0 CA--C 1.54 0.795 0 CA-C-N 119.465 0.845 . . . . 10.0 113.954 -2.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1948 ' ' PHE . . . . . . . . . . . . . 33.8 m-85 -119.0 164.22 15.8 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 124.471 1.108 . . . . 10.0 111.179 177.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1949 ' ' THR . . . . . . . . . . . . . 62.9 m -134.56 107.09 7.33 Favored 'General case' 0 N--CA 1.488 1.441 0 C-N-CA 125.751 1.62 . . . . 10.0 110.263 -176.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1950 ' ' ALA . . . . . . . . . . . . . . . -99.81 117.75 34.79 Favored 'General case' 0 C--O 1.24 0.583 0 C-N-CA 127.301 2.24 . . . . 10.0 113.307 -178.432 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1951 ' ' ARG . . . . . . . . . . . . . 31.2 ttm180 -85.79 87.6 7.43 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-O 123.073 1.416 . . . . 10.0 114.1 175.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1952 ' ' VAL . . . . . . . . . . . . . 25.7 t -57.79 111.15 0.44 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.586 0 C-N-CA 129.042 2.937 . . . . 10.0 111.375 168.34 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1953 ' ' THR . . . . . . . . . . . . . 91.4 m -96.87 138.61 34.16 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 125.944 1.698 . . . . 10.0 111.136 -179.32 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1954 ' ' GLY . . . . . . . . . . . . . . . -78.88 172.36 55.26 Favored Glycine 0 CA--C 1.543 1.797 0 C-N-CA 125.219 1.39 . . . . 10.0 115.531 -169.437 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1955 ' ' ASP . . . . . . . . . . . . . 33.8 t70 -135.95 -40.51 0.68 Allowed 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 125.494 1.518 . . . . 10.0 114.561 -171.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1956 ' ' ASP . . . . . . . . . . . . . 22.2 t70 . . . . . 0 N--CA 1.477 0.891 0 C-N-CA 126.968 2.107 . . . . 10.0 112.595 179.147 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A 1868 ' ' VAL . . . . . . . . . . . . . 14.7 p . . . . . 0 N--CA 1.481 1.083 0 N-CA-C 114.094 1.146 . . . . 10.0 114.094 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A 1869 ' ' THR . . . . . . . . . . . . . 40.7 p -141.33 167.64 21.7 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 127.345 2.258 . . . . 10.0 109.975 169.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1870 ' ' ALA . . . . . . . . . . . . . . . -125.97 137.52 53.69 Favored 'General case' 0 C--O 1.24 0.563 0 C-N-CA 126.191 1.796 . . . . 10.0 110.7 169.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1871 ' ' TYR . . . . . . . . . . . . . 28.8 p90 -155.19 151.56 28.32 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.076 1.35 . . . . 10.0 112.084 -176.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1872 ' ' GLY . . . . . . . . . . . . . . . 143.42 175.33 16.43 Favored Glycine 0 CA--C 1.528 0.879 0 O-C-N 121.278 -0.889 . . . . 10.0 114.316 179.247 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1873 ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -67.0 -33.62 31.7 Favored 'Trans proline' 0 C--N 1.355 0.887 0 C-N-CA 123.245 2.63 . . . . 10.0 112.441 -179.168 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1874 ' ' GLY . . . . . . . . . . . . . . . -74.06 5.98 23.17 Favored Glycine 0 N--CA 1.476 1.318 0 C-N-CA 126.698 2.094 . . . . 10.0 115.125 -177.114 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1875 ' ' LEU . . . . . . . . . . . . . 51.1 mt -105.76 -11.86 16.11 Favored 'General case' 0 CA--C 1.549 0.913 0 CA-C-N 119.319 1.559 . . . . 10.0 113.119 169.207 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1876 ' ' THR . . . . . . . . . . . . . 36.6 p -122.65 -33.13 3.46 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 126.208 1.803 . . . . 10.0 111.627 -174.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1877 ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -132.18 174.06 10.6 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 128.6 2.76 . . . . 10.0 110.985 173.446 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1878 ' ' GLY . . . . . . . . . . . . . . . -151.86 -178.77 26.91 Favored Glycine 0 CA--C 1.53 0.978 0 C-N-CA 125.455 1.502 . . . . 10.0 112.147 172.449 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1879 ' ' VAL . . . . . . . . . . . . . 12.9 p -147.64 144.41 19.4 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 C-N-CA 125.931 1.692 . . . . 10.0 107.81 173.045 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1880 ' ' VAL . . . . . . . . . . . . 0.259 0.3 OUTLIER -100.27 142.11 16.07 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 N-CA-C 113.621 0.971 . . . . 10.0 113.621 -168.074 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A 1881 ' ' ASN . . . . . . . . . . . . 0.264 67.2 m-80 61.19 11.84 3.76 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 126.584 1.954 . . . . 10.0 115.716 -174.286 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1882 ' ' LYS . . . . . . . . . . . . . 5.8 tptp -126.66 132.35 24.28 Favored Pre-proline 0 N--CA 1.485 1.303 0 C-N-CA 127.842 2.457 . . . . 10.0 108.067 168.497 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1883 ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -57.57 131.95 47.47 Favored 'Trans proline' 0 C--N 1.352 0.711 0 C-N-CA 122.729 2.286 . . . . 10.0 110.466 -176.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1884 ' ' ALA . . . . . . . . . . . . . . . -106.65 154.15 21.35 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 126.734 2.014 . . . . 10.0 109.686 177.169 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1885 ' ' THR . . . . . . . . . . . . . 66.9 p -149.77 163.1 38.89 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 113.599 0.963 . . . . 10.0 113.599 -171.365 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1886 ' ' PHE . . . . . . . . . . . . . 54.7 p90 -151.07 165.32 34.17 Favored 'General case' 0 C--O 1.239 0.552 0 C-N-CA 126.065 1.746 . . . . 10.0 111.061 168.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1887 ' ' THR . . . . . . . . . . . . . 89.5 m -98.42 142.04 30.54 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.732 1.213 . . . . 10.0 110.425 -179.135 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1888 ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -128.08 148.88 32.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 C-N-CA 126.904 2.082 . . . . 10.0 108.273 168.592 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1889 ' ' ASN . . . . . . . . . . . . . 51.3 t30 -132.87 77.0 1.72 Allowed 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 125.522 1.529 . . . . 10.0 112.623 -167.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 28.6 p -81.2 4.78 19.07 Favored 'General case' 0 N--CA 1.491 1.602 0 N-CA-C 115.712 1.745 . . . . 10.0 115.712 -171.663 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1891 ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -46.9 -44.58 19.87 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 117.647 2.462 . . . . 10.0 117.647 -166.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 25.0 t0 -130.58 29.09 4.85 Favored 'General case' 0 CA--C 1.55 0.977 0 CA-C-O 122.568 1.175 . . . . 10.0 112.781 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1893 ' ' ALA . . . . . . . . . . . . . . . -74.38 -41.32 61.17 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 126.519 1.928 . . . . 10.0 114.858 -170.501 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.113 0 C-N-CA 125.435 1.493 . . . . 10.0 112.541 -170.424 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A 1898 ' ' LEU . . . . . . . . . . . . . 5.7 tt . . . . . 0 C--O 1.243 0.76 0 CA-C-O 119.834 -0.127 . . . . 10.0 111.226 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A 1899 ' ' SER . . . . . . . . . . . . . 32.7 t -142.21 140.53 32.36 Favored 'General case' 0 C--O 1.24 0.562 0 C-N-CA 123.655 0.782 . . . . 10.0 111.061 169.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1900 ' ' LEU . . . . . . . . . . . . . 25.0 mt -113.7 154.32 27.49 Favored 'General case' 0 C--O 1.243 0.729 0 CA-C-O 122.794 1.283 . . . . 10.0 114.363 -178.355 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1901 ' ' ALA . . . . . . . . . . . . . . . -143.87 162.3 36.45 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 125.534 1.534 . . . . 10.0 109.102 165.404 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1902 ' ' ILE . . . . . . . . . . . . . 1.4 tt -145.32 154.91 13.62 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 C-N-CA 124.855 1.262 . . . . 10.0 109.685 -179.618 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1903 ' ' GLU . . . . . . . . . . . . . 83.0 mt-10 -126.22 -177.3 3.92 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.34 1.456 . . . . 10.0 109.401 174.257 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1904 ' ' GLY . . . . . . . . . . . . . . . 132.25 -175.27 19.94 Favored Glycine 0 CA--C 1.547 2.062 0 C-N-CA 124.199 0.904 . . . . 10.0 112.449 -177.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1905 ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -70.21 -26.48 25.43 Favored 'Trans proline' 0 CA--C 1.537 0.636 0 C-N-CA 122.001 1.801 . . . . 10.0 114.759 177.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1906 ' ' SER . . . . . . . . . . . . . 6.8 t -153.12 60.43 0.78 Allowed 'General case' 0 CA--C 1.549 0.938 0 CA-C-O 123.573 1.654 . . . . 10.0 111.901 -164.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1907 ' ' LYS . . . . . . . . . . . . . 63.4 mtpt -32.75 121.87 0.35 Allowed 'General case' 0 N--CA 1.494 1.731 0 C-N-CA 130.148 3.379 . . . . 10.0 113.121 -174.355 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1908 ' ' ALA . . . . . . . . . . . . . . . -74.02 168.05 20.29 Favored 'General case' 0 C--N 1.348 0.522 0 N-CA-C 113.63 0.974 . . . . 10.0 113.63 -178.421 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1909 ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -106.6 113.25 26.65 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.023 0.929 . . . . 10.0 110.799 171.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1910 ' ' ILE . . . . . . . . . . . . . 1.7 mp -70.97 150.69 9.37 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.187 0 C-N-CA 127.097 2.159 . . . . 10.0 113.023 -174.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1911 ' ' SER . . . . . . . . . . . . . 7.6 t -146.05 173.71 11.94 Favored 'General case' 0 CA--C 1.564 1.509 0 C-N-CA 128.184 2.594 . . . . 10.0 110.377 167.503 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1912 ' ' CYS . . . . . . . . . . . . . 29.4 p -150.79 163.2 39.19 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 120.2 -1.562 . . . . 10.0 114.06 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1913 ' ' THR . . . . . . . . . . . . . 97.4 m -140.03 120.87 14.47 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.887 1.275 . . . . 10.0 109.101 -177.486 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1914 ' ' ASP . . . . . . . . . . . . . 3.4 p30 -69.12 -10.35 57.24 Favored 'General case' 0 N--CA 1.484 1.257 0 N-CA-C 115.478 1.659 . . . . 10.0 115.478 179.442 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1915 ' ' ASN . . . . . . . . . . . . . 39.0 t30 58.59 1.98 0.2 Allowed 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 128.854 2.862 . . . . 10.0 116.574 174.456 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1916 ' ' GLN . . . . . . . . . . . . . 58.6 mt-30 59.31 3.81 0.42 Allowed 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 126.787 2.035 . . . . 10.0 115.907 -168.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1917 ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -115.76 1.37 13.44 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-N 120.205 1.366 . . . . 10.0 114.178 178.772 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1918 ' ' GLY . . . . . . . . . . . . . . . 97.83 -3.92 60.99 Favored Glycine 0 CA--C 1.53 1.017 0 C-N-CA 125.19 1.376 . . . . 10.0 115.566 175.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1919 ' ' THR . . . . . . . . . . . . . 71.6 p -71.95 173.18 8.71 Favored 'General case' 0 N--CA 1.481 1.09 0 CA-C-N 119.262 1.531 . . . . 10.0 111.663 169.317 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1920 ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -123.76 17.36 9.47 Favored 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 114.696 1.369 . . . . 10.0 114.696 -176.285 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1921 ' ' SER . . . . . . . . . . . . . 44.2 m -12.81 99.95 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 130.539 3.535 . . . . 10.0 115.65 -176.318 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1922 ' ' VAL . . . . . . . . . . . . . 55.1 t -83.05 140.77 15.82 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 C-N-CA 125.912 1.685 . . . . 10.0 110.977 -173.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1923 ' ' SER . . . . . . . . . . . . . 33.1 m -126.24 152.65 45.81 Favored 'General case' 0 C--O 1.225 -0.197 0 C-N-CA 125.825 1.65 . . . . 10.0 111.599 172.514 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1924 ' ' TYR . . . . . . . . . . . . . 26.5 p90 -151.69 169.56 21.87 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 126.133 1.773 . . . . 10.0 111.42 171.042 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1925 ' ' LEU . . . . . . . . . . . . . 1.5 tm? -143.82 95.79 5.69 Favored Pre-proline 0 N--CA 1.474 0.769 0 C-N-CA 124.285 1.034 . . . . 10.0 111.59 -176.461 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1926 ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -80.64 149.85 18.7 Favored 'Trans proline' 0 CA--C 1.544 0.991 0 C-N-CA 122.932 2.421 . . . . 10.0 110.814 174.444 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1927 ' ' VAL . . . . . . . . . . . . . 34.4 m -118.48 -6.07 11.36 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 N-CA-C 114.96 1.467 . . . . 10.0 114.96 -175.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1928 ' ' LEU . . . . . . . . . . . . . 4.5 tt -143.66 128.16 9.47 Favored Pre-proline 0 CA--C 1.555 1.155 0 C-N-CA 125.268 1.427 . . . . 10.0 110.866 173.264 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1929 ' ' PRO . . . . . . . . . . . . . 89.2 Cg_exo -50.51 146.88 18.38 Favored 'Trans proline' 0 CA--C 1.55 1.287 0 C-N-CA 123.599 2.866 . . . . 10.0 115.764 -179.53 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1930 ' ' GLY . . . . . . . . . . . . . . . 172.0 -179.9 43.36 Favored Glycine 0 CA--C 1.528 0.906 0 CA-C-O 122.743 1.191 . . . . 10.0 115.143 -170.174 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1931 ' ' ASP . . . . . . . . . . . . . 16.2 p-10 -107.31 84.86 2.03 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 127.211 2.204 . . . . 10.0 110.659 -178.071 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1932 ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -85.78 100.31 11.95 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.409 1.083 . . . . 10.0 113.004 -169.324 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1933 ' ' SER . . . . . . . . . . . . . 20.6 t -66.48 129.77 40.94 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 120.909 -1.119 . . . . 10.0 110.539 176.077 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1934 ' ' ILE . . . . . . . . . . . . . 8.2 mm -101.95 129.95 52.45 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 125.022 1.329 . . . . 10.0 109.854 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1935 ' ' LEU . . . . . . . . . . . . . 3.0 mm? -118.98 91.4 3.55 Favored 'General case' 0 C--O 1.237 0.442 0 C-N-CA 126.21 1.804 . . . . 10.0 110.692 177.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1936 ' ' VAL . . . . . . . . . . . . . 47.4 t -91.83 109.94 21.99 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 C-N-CA 124.103 0.961 . . . . 10.0 109.251 175.134 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1937 ' ' LYS . . . . . . . . . . . . . 96.7 mttt -97.04 142.5 28.91 Favored 'General case' 0 N--CA 1.482 1.152 0 CA-C-N 119.307 0.958 . . . . 10.0 111.042 167.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1938 ' ' TYR . . . . . . . . . . . . . 17.9 t80 -138.14 107.79 6.23 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 125.218 1.407 . . . . 10.0 110.525 167.416 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1939 ' ' ASN . . . . . . . . . . . . . 1.5 t30 59.62 74.71 0.43 Allowed 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 126.641 1.976 . . . . 10.0 112.308 -178.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1940 ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 70.01 -3.95 1.63 Allowed 'General case' 0 N--CA 1.484 1.235 0 N-CA-C 117.722 2.49 . . . . 10.0 117.722 169.248 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1941 ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -138.41 160.78 38.66 Favored 'General case' 0 C--O 1.243 0.733 0 C-N-CA 125.459 1.504 . . . . 10.0 110.776 175.468 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1942 ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -68.61 152.89 44.74 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-O 121.968 0.889 . . . . 10.0 111.737 170.422 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1943 ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -67.08 163.9 40.69 Favored Pre-proline 0 CA--C 1.547 0.841 0 C-N-CA 126.247 1.819 . . . . 10.0 112.789 -176.534 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1944 ' ' PRO . . . . . . . . . . . . . 41.0 Cg_exo -60.93 -13.17 25.67 Favored 'Trans proline' 0 C--N 1.348 0.529 1 C-N-CA 125.794 4.33 . . . . 10.0 117.748 -168.517 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1945 ' ' GLY . . . . . . . . . . . . . . . -124.59 -6.22 6.75 Favored Glycine 0 CA--C 1.54 1.634 0 C-N-CA 126.466 1.984 . . . . 10.0 115.452 178.407 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1946 ' ' SER . . . . . . . . . . . . . 3.3 m -70.56 156.26 92.2 Favored Pre-proline 0 CA--C 1.547 0.844 0 CA-C-N 118.93 1.365 . . . . 10.0 111.71 174.309 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1947 ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -74.43 162.74 91.89 Favored 'Cis proline' 0 CA--C 1.545 1.031 0 CA-C-O 122.016 0.757 . . . . 10.0 112.54 -8.442 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1948 ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -119.77 168.09 11.43 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 125.879 1.672 . . . . 10.0 111.399 172.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1949 ' ' THR . . . . . . . . . . . . . 25.6 m -134.26 101.48 5.03 Favored 'General case' 0 N--CA 1.485 1.323 0 CA-C-N 119.817 1.19 . . . . 10.0 111.088 175.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1950 ' ' ALA . . . . . . . . . . . . . . . -81.3 104.6 11.87 Favored 'General case' 0 C--O 1.234 0.276 0 C-N-CA 124.974 1.31 . . . . 10.0 112.629 176.407 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1951 ' ' ARG . . . . . . . . . . . . . 58.2 ttp85 -78.26 89.97 4.33 Favored 'General case' 0 C--O 1.24 0.583 0 N-CA-C 113.307 0.854 . . . . 10.0 113.307 173.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1952 ' ' VAL . . . . . . . . . . . . . 44.6 t -59.01 114.79 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 C-N-CA 128.49 2.716 . . . . 10.0 111.833 169.115 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1953 ' ' THR . . . . . . . . . . . . . 4.2 t -96.69 167.9 10.84 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 125.143 1.377 . . . . 10.0 111.667 172.08 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1954 ' ' GLY . . . . . . . . . . . . . . . -69.91 175.66 34.44 Favored Glycine 0 CA--C 1.54 1.595 0 CA-C-O 123.995 1.886 . . . . 10.0 116.193 -176.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1955 ' ' ASP . . . . . . . . . . . . . 33.5 t70 -75.75 -18.26 59.61 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 125.406 1.483 . . . . 10.0 112.791 173.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1956 ' ' ASP . . . . . . . . . . . . . 33.7 t70 . . . . . 0 N--CA 1.488 1.436 0 C-N-CA 126.91 2.084 . . . . 10.0 113.924 -178.2 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A 1868 ' ' VAL . . . . . . . . . . . . . 7.1 p . . . . . 0 N--CA 1.474 0.74 0 CA-C-O 119.256 -0.402 . . . . 10.0 110.67 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A 1869 ' ' THR . . . . . . . . . . . . . 22.9 p -130.41 164.51 24.59 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 124.771 1.228 . . . . 10.0 113.976 -177.108 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1870 ' ' ALA . . . . . . . . . . . . . . . -138.46 126.8 23.04 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.698 1.599 . . . . 10.0 110.921 178.143 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1871 ' ' TYR . . . . . . . . . . . . . 55.4 p90 -147.61 164.83 32.25 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.644 1.178 . . . . 10.0 112.752 179.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1872 ' ' GLY . . . . . . . . . . . . . . . 132.91 173.04 13.17 Favored Glycine 0 N--CA 1.479 1.526 0 O-C-N 121.468 -0.77 . . . . 10.0 113.433 176.222 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1873 ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -65.67 -33.75 43.73 Favored 'Trans proline' 0 CA--C 1.54 0.803 0 C-N-CA 123.468 2.779 . . . . 10.0 112.535 -177.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1874 ' ' GLY . . . . . . . . . . . . . . . -67.98 -0.85 16.09 Favored Glycine 0 N--CA 1.48 1.612 0 C-N-CA 124.746 1.165 . . . . 10.0 115.972 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1875 ' ' LEU . . . . . . . . . . . . . 34.0 mt -103.16 -2.58 27.09 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.229 1.412 . . . . 10.0 114.059 171.44 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1876 ' ' THR . . . . . . . . . . . . . 13.2 t -135.02 -30.78 1.04 Allowed 'General case' 0 N--CA 1.482 1.142 0 N-CA-C 114.76 1.393 . . . . 10.0 114.76 -175.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1877 ' ' HIS . . . . . . . . . . . . . 13.0 t60 -134.9 -173.95 3.46 Favored 'General case' 0 CA--C 1.555 1.171 0 C-N-CA 125.569 1.548 . . . . 10.0 111.66 176.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1878 ' ' GLY . . . . . . . . . . . . . . . -172.83 173.93 45.65 Favored Glycine 0 CA--C 1.54 1.617 0 CA-C-N 118.984 0.811 . . . . 10.0 113.72 171.587 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1879 ' ' VAL . . . . . . . . . . . . . 33.5 t -133.89 109.69 13.24 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 C-N-CA 125.845 1.658 . . . . 10.0 109.909 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1880 ' ' VAL . . . . . . . . . . . . . 1.1 t -66.03 141.06 18.55 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 CA-C-O 122.431 1.11 . . . . 10.0 113.664 177.559 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1881 ' ' ASN . . . . . . . . . . . . . 34.4 m-20 70.41 0.32 3.17 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 127.687 2.395 . . . . 10.0 115.092 -175.279 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1882 ' ' LYS . . . . . . . . . . . . . 44.0 tptt -124.01 140.35 34.5 Favored Pre-proline 0 N--CA 1.485 1.284 0 C-N-CA 124.39 1.076 . . . . 10.0 110.814 173.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1883 ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -58.35 140.5 94.68 Favored 'Trans proline' 0 C--O 1.241 0.644 0 C-N-CA 122.851 2.367 . . . . 10.0 112.132 -179.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1884 ' ' ALA . . . . . . . . . . . . . . . -124.31 157.32 35.23 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 125.671 1.588 . . . . 10.0 111.249 174.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1885 ' ' THR . . . . . . . . . . . . . 29.1 p -146.08 159.54 43.14 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 113.648 0.981 . . . . 10.0 113.648 -171.072 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1886 ' ' PHE . . . . . . . . . . . . . 45.5 p90 -148.54 167.5 25.23 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 125.798 1.639 . . . . 10.0 111.984 168.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1887 ' ' THR . . . . . . . . . . . . . 64.4 m -118.1 113.23 21.29 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 124.608 1.163 . . . . 10.0 110.458 -170.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1888 ' ' VAL . . . . . . . . . . . . . 2.5 m -96.57 148.41 5.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.327 -0.851 . . . . 10.0 109.191 166.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1889 ' ' ASN . . . . . . . . . . . . . 32.5 t30 -136.93 95.69 3.16 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 127.197 2.199 . . . . 10.0 111.859 -164.035 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 25.4 p -93.58 23.88 4.37 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 129.316 3.046 . . . . 10.0 117.493 -167.071 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1891 ' ' LYS . . . . . . . . . . . . . 28.4 mtpp -46.83 -37.38 8.62 Favored 'General case' 0 N--CA 1.486 1.374 0 N-CA-C 117.088 2.255 . . . . 10.0 117.088 -168.658 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -122.69 14.45 10.13 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 125.737 1.615 . . . . 10.0 113.407 -179.671 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1893 ' ' ALA . . . . . . . . . . . . . . . -60.58 -28.54 68.57 Favored 'General case' 0 CA--C 1.551 0.99 0 N-CA-C 115.842 1.793 . . . . 10.0 115.842 -171.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.166 0 C-N-CA 126.484 1.993 . . . . 10.0 115.698 171.206 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A 1898 ' ' LEU . . . . . 0.446 ' HA ' ' H ' ' A' 1939 ' ' ASN . 0.0 OUTLIER . . . . . 0 CA--C 1.542 0.656 0 N-CA-C 113.378 0.881 . . . . 10.0 113.378 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1899 ' ' SER . . . . . . . . . . . . . 8.7 t -133.94 153.51 51.72 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.138 0.975 . . . . 10.0 112.315 -177.519 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1900 ' ' LEU . . . . . . . . . . . . . 7.6 mt -137.91 127.24 24.67 Favored 'General case' 0 C--O 1.241 0.626 0 C-N-CA 128.079 2.551 . . . . 10.0 110.514 -174.384 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1901 ' ' ALA . . . . . . . . . . . . . . . -143.49 162.47 35.74 Favored 'General case' 0 C--O 1.24 0.604 0 C-N-CA 124.526 1.13 . . . . 10.0 111.139 168.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1902 ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -132.83 129.33 58.01 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.889 0 C-N-CA 126.029 1.732 . . . . 10.0 108.349 179.191 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1903 ' ' GLU . . . . . . . . . . . . . 44.7 mm-40 -108.33 171.94 7.12 Favored 'General case' 0 C--N 1.319 -0.757 0 C-N-CA 128.049 2.54 . . . . 10.0 110.185 169.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1904 ' ' GLY . . . . . . . . . . . . . . . 144.27 -165.11 27.51 Favored Glycine 0 CA--C 1.542 1.738 0 C-N-CA 125.994 1.759 . . . . 10.0 112.624 -174.173 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1905 ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -70.24 -19.2 34.13 Favored 'Trans proline' 0 C--N 1.354 0.832 0 C-N-CA 122.419 2.08 . . . . 10.0 114.091 171.646 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1906 ' ' SER . . . . . . . . . . . . . 10.1 t -151.88 -176.04 5.48 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 128.181 2.592 . . . . 10.0 110.41 -167.401 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1907 ' ' LYS . . . . . . . . . . . . . 22.8 tptt -121.45 169.27 10.81 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 125.808 1.643 . . . . 10.0 112.651 -171.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1908 ' ' ALA . . . . . . . . . . . . . . . -146.09 166.15 26.99 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 125.68 1.592 . . . . 10.0 112.32 174.394 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1909 ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -64.61 158.14 25.17 Favored 'General case' 0 CA--C 1.557 1.216 0 C-N-CA 126.172 1.789 . . . . 10.0 113.246 174.511 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1910 ' ' ILE . . . . . . . . . . . . . 23.8 mm -129.26 104.51 11.11 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 C-N-CA 126.249 1.819 . . . . 10.0 110.23 177.469 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1911 ' ' SER . . . . . . . . . . . . . 49.4 m -135.91 89.11 2.45 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.486 1.115 . . . . 10.0 112.301 178.533 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1912 ' ' CYS . . . . . . . . . . . . . 28.6 p -79.2 156.21 28.28 Favored 'General case' 0 CA--C 1.546 0.811 0 O-C-N 121.877 -0.514 . . . . 10.0 110.524 168.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1913 ' ' THR . . . . . . . . . . . . . 13.1 m -141.31 100.34 3.77 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.46 1.104 . . . . 10.0 109.984 -179.077 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1914 ' ' ASP . . . . . . . . . . . . . 19.4 t70 -63.07 121.78 14.45 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.61 1.164 . . . . 10.0 111.829 169.223 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1915 ' ' ASN . . . . . . . . . . . . . 44.7 m-80 -128.82 163.35 25.4 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 124.42 1.088 . . . . 10.0 113.311 -171.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1916 ' ' GLN . . . . . . . . . . . . . 11.6 tp-100 -62.7 -23.83 67.34 Favored 'General case' 0 CA--C 1.556 1.173 0 C-N-CA 128.096 2.558 . . . . 10.0 113.245 -176.281 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1917 ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -86.95 -0.8 57.18 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 126.29 1.836 . . . . 10.0 113.568 -175.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1918 ' ' GLY . . . . . . . . . . . . . . . 87.49 39.2 7.31 Favored Glycine 0 CA--C 1.534 1.248 0 C-N-CA 125.245 1.403 . . . . 10.0 113.262 -178.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1919 ' ' THR . . . . . . . . . . . . . 37.2 p -129.92 159.52 36.39 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 126.32 1.848 . . . . 10.0 112.234 -177.273 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1920 ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -124.07 8.94 8.64 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 125.744 1.618 . . . . 10.0 114.2 178.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1921 ' ' SER . . . . . . . . . . . . . 73.9 m 13.58 100.07 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 130.805 3.642 . . . . 10.0 115.783 169.174 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1922 ' ' VAL . . . . . . . . . . . . . 85.1 t -100.52 120.29 49.8 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 124.765 1.226 . . . . 10.0 111.261 -175.004 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1923 ' ' SER . . . . . . . . . . . . . 51.8 m -103.45 145.9 29.31 Favored 'General case' 0 C--O 1.241 0.639 0 C-N-CA 127.191 2.197 . . . . 10.0 111.036 170.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1924 ' ' TYR . . . . . . . . . . . . . 13.8 p90 -146.75 173.36 12.45 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 126.254 1.822 . . . . 10.0 110.045 175.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1925 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -150.77 91.29 4.07 Favored Pre-proline 0 CA--C 1.544 0.724 0 O-C-N 120.39 -1.444 . . . . 10.0 110.319 -174.651 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1926 ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -76.08 154.49 37.55 Favored 'Trans proline' 0 CA--C 1.548 1.222 0 C-N-CA 123.344 2.696 . . . . 10.0 112.547 -176.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1927 ' ' VAL . . . . . . . . . . . . . 22.3 m -126.45 -13.63 4.11 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.196 0 N-CA-C 116.298 1.962 . . . . 10.0 116.298 -169.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1928 ' ' LEU . . . . . . . . . . . . . 5.8 tt -142.93 121.37 7.31 Favored Pre-proline 0 N--CA 1.475 0.789 0 C-N-CA 124.534 1.133 . . . . 10.0 110.465 175.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1929 ' ' PRO . . . . . . . . . . . . . 78.4 Cg_exo -55.95 141.47 86.08 Favored 'Trans proline' 0 CA--C 1.544 0.987 0 C-N-CA 124.067 3.178 . . . . 10.0 113.139 -170.641 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1930 ' ' GLY . . . . . . . . . . . . . . . 174.92 177.45 44.03 Favored Glycine 0 CA--C 1.532 1.103 0 N-CA-C 116.313 1.285 . . . . 10.0 116.313 -172.001 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1931 ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -90.35 82.74 5.92 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 126.176 1.79 . . . . 10.0 111.005 170.314 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1932 ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -73.84 148.44 42.39 Favored 'General case' 0 CA--C 1.548 0.879 0 O-C-N 120.701 -1.249 . . . . 10.0 110.319 178.537 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1933 ' ' SER . . . . . . . . . . . . . 59.5 m -124.82 108.25 11.75 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.376 1.47 . . . . 10.0 109.809 -179.672 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1934 ' ' ILE . . . . . . . . . . . . . 3.7 mm -76.85 133.7 30.35 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.332 0 N-CA-C 108.75 -0.833 . . . . 10.0 108.75 176.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1935 ' ' LEU . . . . . . . . . . . . . 4.3 mm? -112.6 110.84 21.24 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 127.917 2.487 . . . . 10.0 108.569 172.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1936 ' ' VAL . . . . . . . . . . . . . 73.7 t -118.73 106.91 20.41 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 C-N-CA 124.977 1.311 . . . . 10.0 110.063 173.285 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1937 ' ' LYS . . . . . . . . . . . . . 60.2 mttm -93.95 116.77 29.25 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.944 1.298 . . . . 10.0 108.256 168.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1938 ' ' TYR . . . . . . . . . . . . . 2.3 t80 -83.71 101.82 11.82 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 118.979 -1.088 . . . . 10.0 109.181 170.111 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1939 ' ' ASN . . . . . 0.446 ' H ' ' HA ' ' A' 1898 ' ' LEU . 17.6 t-20 61.4 -43.58 0.13 Allowed 'General case' 0 CA--C 1.548 0.875 1 C-N-CA 131.965 4.106 . . . . 10.0 115.265 -170.901 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A 1940 ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -150.16 -31.05 0.2 Allowed 'General case' 0 CA--C 1.55 0.974 0 O-C-N 120.624 -1.297 . . . . 10.0 114.224 -179.413 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1941 ' ' GLN . . . . . . . . . . . . . 60.5 mm-40 -118.03 145.53 44.71 Favored 'General case' 0 C--N 1.339 0.134 0 C-N-CA 124.45 1.1 . . . . 10.0 110.176 -170.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1942 ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -74.39 145.03 44.08 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-O 122.106 0.955 . . . . 10.0 113.296 -170.639 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1943 ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.02 160.86 52.83 Favored Pre-proline 0 C--N 1.316 -0.887 0 C-N-CA 124.398 1.079 . . . . 10.0 113.093 -174.003 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1944 ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -58.84 106.49 0.29 Allowed 'Trans proline' 0 CA--C 1.541 0.868 0 C-N-CA 124.891 3.727 . . . . 10.0 110.479 178.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1945 ' ' GLY . . . . . . . . . . . . . . . 96.42 -4.44 64.36 Favored Glycine 0 N--CA 1.473 1.132 0 C-N-CA 124.931 1.253 . . . . 10.0 115.068 179.443 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1946 ' ' SER . . . . . . . . . . . . . 3.1 m -64.4 149.29 95.13 Favored Pre-proline 0 CA--C 1.558 1.261 0 CA-C-N 119.867 1.833 . . . . 10.0 112.214 168.491 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1947 ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -75.27 162.9 91.77 Favored 'Cis proline' 0 CA--C 1.542 0.897 0 CA-C-N 119.667 0.917 . . . . 10.0 113.115 -5.552 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1948 ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -117.54 105.92 12.59 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.665 1.586 . . . . 10.0 112.287 -171.013 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1949 ' ' THR . . . . . . . . . . . . . 21.0 m -71.75 86.26 0.94 Allowed 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.597 1.559 . . . . 10.0 111.899 178.344 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1950 ' ' ALA . . . . . . . . . . . . . . . -84.19 99.8 10.76 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 126.92 2.088 . . . . 10.0 111.496 175.105 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1951 ' ' ARG . . . . . . . . . . . . . 48.0 ttm-85 -86.28 82.86 7.86 Favored 'General case' 0 N--CA 1.482 1.164 0 O-C-N 120.992 -1.068 . . . . 10.0 112.53 -176.494 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1952 ' ' VAL . . . . . . . . . . . . . 6.3 t -55.17 129.15 16.2 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 C-N-CA 128.629 2.771 . . . . 10.0 112.725 171.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1953 ' ' THR . . . . . . . . . . . . . 6.2 t -111.73 160.77 16.98 Favored 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 124.455 1.102 . . . . 10.0 111.62 175.17 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1954 ' ' GLY . . . . . . . . . . . . . . . -98.36 82.43 0.63 Allowed Glycine 0 N--CA 1.473 1.13 0 C-N-CA 126.286 1.898 . . . . 10.0 112.311 -179.04 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1955 ' ' ASP . . . . . . . . . . . . . 30.0 t70 -63.63 -25.66 68.32 Favored 'General case' 0 CA--C 1.553 1.059 0 N-CA-C 115.05 1.5 . . . . 10.0 115.05 -179.542 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1956 ' ' ASP . . . . . . . . . . . . . 30.7 t70 . . . . . 0 C--O 1.252 1.224 0 C-N-CA 127.525 2.33 . . . . 10.0 112.462 179.086 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A 1868 ' ' VAL . . . . . . . . . . . . . 9.1 p . . . . . 0 N--CA 1.488 1.453 0 CA-C-O 122.489 1.138 . . . . 10.0 110.837 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A 1869 ' ' THR . . . . . . . . . . . . . 3.6 m -156.13 151.25 26.47 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 128.974 2.91 . . . . 10.0 106.854 179.191 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1870 ' ' ALA . . . . . . . . . . . . . . . -81.05 135.19 35.79 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 119.478 1.035 . . . . 10.0 111.696 168.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1871 ' ' TYR . . . . . . . . . . . . . 47.9 p90 -147.26 155.18 41.83 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 125.438 1.495 . . . . 10.0 112.246 175.291 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1872 ' ' GLY . . . . . . . . . . . . . . . 135.85 170.26 12.01 Favored Glycine 0 C--N 1.344 1.003 0 C-N-CA 125.535 1.541 . . . . 10.0 113.162 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1873 ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -69.4 -30.04 24.6 Favored 'Trans proline' 0 CA--C 1.545 1.031 0 C-N-CA 123.199 2.599 . . . . 10.0 113.761 -177.504 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1874 ' ' GLY . . . . . . . . . . . . . . . -66.94 -4.66 28.6 Favored Glycine 0 CA--C 1.539 1.575 0 N-CA-C 115.59 0.996 . . . . 10.0 115.59 177.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1875 ' ' LEU . . . . . . . . . . . . . 26.3 mt -93.01 -25.1 18.11 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 118.999 1.399 . . . . 10.0 113.633 171.524 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1876 ' ' THR . . . . . . . . . . . . . 69.5 p -96.82 -38.03 10.02 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 123.929 0.892 . . . . 10.0 111.847 -177.052 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1877 ' ' HIS . . . . . . . . . . . . . 37.1 p-80 -143.96 -179.13 6.29 Favored 'General case' 0 C--O 1.235 0.342 0 C-N-CA 126.017 1.727 . . . . 10.0 112.176 -179.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1878 ' ' GLY . . . . . . . . . . . . . . . -153.55 172.2 32.36 Favored Glycine 0 N--CA 1.47 0.946 0 C-N-CA 125.326 1.441 . . . . 10.0 113.488 177.084 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1879 ' ' VAL . . . . . . . . . . . . . 12.4 p -139.94 143.23 30.51 Favored 'Isoleucine or valine' 0 C--O 1.244 0.778 0 C-N-CA 125.763 1.625 . . . . 10.0 109.958 170.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1880 ' ' VAL . . . . . . . . . . . . . 61.8 t -94.34 142.37 13.52 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 C-N-CA 125.272 1.429 . . . . 10.0 112.811 -169.239 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1881 ' ' ASN . . . . . . . . . . . . . 81.3 m-20 58.52 20.68 7.78 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 127.32 2.248 . . . . 10.0 113.618 -174.3 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1882 ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -142.36 142.03 22.67 Favored Pre-proline 0 CA--C 1.543 0.696 0 C-N-CA 126.148 1.779 . . . . 10.0 110.07 171.711 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1883 ' ' PRO . . . . . . . . . . . . . 66.4 Cg_exo -56.14 146.26 71.67 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 124.233 3.288 . . . . 10.0 115.275 -171.384 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1884 ' ' ALA . . . . . . . . . . . . . . . -128.57 139.07 52.48 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 124.723 1.209 . . . . 10.0 109.811 174.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1885 ' ' THR . . . . . . . . . . . . . 23.4 p -145.74 164.3 32.27 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.882 -1.136 . . . . 10.0 112.851 -173.398 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1886 ' ' PHE . . . . . . . . . . . . . 54.5 p90 -154.37 173.78 15.74 Favored 'General case' 0 C--O 1.246 0.874 0 C-N-CA 126.085 1.754 . . . . 10.0 110.916 171.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1887 ' ' THR . . . . . . . . . . . . . 29.0 m -118.12 141.8 48.1 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 127.266 2.226 . . . . 10.0 110.203 -172.713 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1888 ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -147.11 71.32 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 128.298 2.639 . . . . 10.0 107.644 -173.288 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1889 ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -67.65 77.23 0.19 Allowed 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 127.575 2.35 . . . . 10.0 113.803 -171.275 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 3.8 p -74.97 11.42 1.1 Allowed 'General case' 0 N--CA 1.475 0.793 1 C-N-CA 131.855 4.062 . . . . 10.0 116.332 -178.16 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1891 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.73 -28.31 0.23 Allowed 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 117.509 2.411 . . . . 10.0 117.509 -174.488 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 21.9 t70 -108.79 -6.41 15.87 Favored 'General case' 0 CA--C 1.556 1.205 0 C-N-CA 126.991 2.116 . . . . 10.0 115.226 -179.331 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1893 ' ' ALA . . . . . . . . . . . . . . . -66.31 -45.47 80.25 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.676 1.19 . . . . 10.0 112.083 -174.098 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 1.677 0 C-N-CA 125.438 1.494 . . . . 10.0 114.409 179.333 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A 1898 ' ' LEU . . . . . . . . . . . . . 5.1 tt . . . . . 0 CA--C 1.546 0.822 0 N-CA-C 107.998 -1.112 . . . . 10.0 107.998 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A 1899 ' ' SER . . . . . . . . . . . . . 49.8 m -131.1 45.57 2.79 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 114.649 1.352 . . . . 10.0 114.649 -167.557 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1900 ' ' LEU . . . . . . . . . . . . . 3.3 pp -60.25 162.95 5.42 Favored 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 115.724 1.749 . . . . 10.0 115.724 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1901 ' ' ALA . . . . . . . . . . . . . . . -143.55 172.28 13.0 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 126.246 1.818 . . . . 10.0 112.665 170.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1902 ' ' ILE . . . . . . . . . . . . . 2.0 mp -125.91 137.31 58.12 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 C-N-CA 126.185 1.794 . . . . 10.0 109.71 172.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1903 ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -121.86 171.72 8.7 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 127.928 2.491 . . . . 10.0 112.09 169.032 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1904 ' ' GLY . . . . . . . . . . . . . . . 165.7 -173.52 41.36 Favored Glycine 0 N--CA 1.492 2.422 0 C-N-CA 124.278 0.942 . . . . 10.0 112.687 -177.362 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1905 ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -68.63 -21.26 39.64 Favored 'Trans proline' 0 CA--C 1.542 0.889 0 C-N-CA 122.899 2.4 . . . . 10.0 111.557 173.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1906 ' ' SER . . . . . . . . . . . . . 19.0 t -144.46 -15.66 0.56 Allowed 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 126.423 1.889 . . . . 10.0 113.163 -168.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1907 ' ' LYS . . . . . . . . . . . . . 20.7 ptmt 42.91 -166.74 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 130.44 3.496 . . . . 10.0 115.613 178.495 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1908 ' ' ALA . . . . . . . . . . . . . . . -151.28 165.69 33.24 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.662 1.185 . . . . 10.0 113.084 -176.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1909 ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -84.53 137.4 33.35 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 125.514 1.526 . . . . 10.0 111.898 174.539 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1910 ' ' ILE . . . . . . . . . . . . . 42.0 mm -82.95 135.67 24.35 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 C-N-CA 125.651 1.581 . . . . 10.0 109.926 -178.363 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1911 ' ' SER . . . . . . . . . . . . . 9.7 t -147.4 91.18 1.94 Allowed 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.505 1.122 . . . . 10.0 112.415 170.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1912 ' ' CYS . . . . . . . . . . . . . 17.0 p -65.3 144.36 57.18 Favored 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 125.248 1.419 . . . . 10.0 112.636 173.281 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1913 ' ' THR . . . . . . . . . . . . . 11.1 m -133.04 102.18 5.51 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.646 1.178 . . . . 10.0 110.774 -178.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1914 ' ' ASP . . . . . . . . . . . . . 18.6 t70 -65.84 103.83 0.98 Allowed 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.675 1.19 . . . . 10.0 111.264 172.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1915 ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -102.62 156.27 17.73 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.392 1.477 . . . . 10.0 111.636 178.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1916 ' ' GLN . . . . . . . . . . . . . 4.7 pp0? -65.63 -17.9 64.93 Favored 'General case' 0 CA--C 1.552 1.025 0 N-CA-C 116.478 2.029 . . . . 10.0 116.478 -171.559 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1917 ' ' ASP . . . . . . . . . . . . . 17.9 t70 -81.41 -4.18 55.02 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.033 0.933 . . . . 10.0 112.927 173.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1918 ' ' GLY . . . . . . . . . . . . . . . 86.08 53.55 2.96 Favored Glycine 0 CA--C 1.535 1.343 0 C-N-CA 125.022 1.296 . . . . 10.0 112.947 179.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1919 ' ' THR . . . . . . . . . . . . . 3.5 t -131.54 146.8 52.4 Favored 'General case' 0 N--CA 1.476 0.873 0 O-C-N 121.851 -0.794 . . . . 10.0 112.058 171.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1920 ' ' CYS . . . . . . . . . . . . . 4.1 t -86.06 0.7 52.78 Favored 'General case' 0 CA--C 1.556 1.191 0 C-N-CA 126.731 2.012 . . . . 10.0 112.622 179.707 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1921 ' ' SER . . . . . . . . . . . . . 43.2 m -3.33 93.55 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 131.048 3.739 . . . . 10.0 117.331 -176.424 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1922 ' ' VAL . . . . . . . . . . . . . 44.4 t -77.33 133.26 31.08 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.634 0 CA-C-O 121.741 0.781 . . . . 10.0 111.715 178.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1923 ' ' SER . . . . . . . . . . . . . 50.2 m -120.27 128.93 53.77 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 127.401 2.28 . . . . 10.0 110.769 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1924 ' ' TYR . . . . . . . . . . . . . 18.9 p90 -139.04 177.51 7.84 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.438 1.495 . . . . 10.0 111.667 179.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1925 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -152.12 87.43 4.29 Favored Pre-proline 0 CA--C 1.557 1.246 0 O-C-N 121.393 -0.817 . . . . 10.0 109.607 -170.157 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1926 ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -68.59 128.4 17.07 Favored 'Trans proline' 0 C--N 1.352 0.713 0 C-N-CA 122.91 2.407 . . . . 10.0 111.02 -174.503 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1927 ' ' VAL . . . . . . . . . . . . . 34.8 m -87.9 -15.75 9.27 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.18 0 C-N-CA 126.315 1.846 . . . . 10.0 112.628 -177.213 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1928 ' ' LEU . . . . . . . . . . . . . 14.0 mt -140.91 163.12 44.68 Favored Pre-proline 0 CA--C 1.545 0.754 0 C-N-CA 125.184 1.394 . . . . 10.0 111.126 172.182 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1929 ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -74.51 167.6 26.75 Favored 'Trans proline' 0 C--N 1.353 0.794 0 C-N-CA 123.157 2.572 . . . . 10.0 112.665 173.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1930 ' ' GLY . . . . . . . . . . . . . . . 157.56 -178.14 34.03 Favored Glycine 0 C--N 1.338 0.646 0 CA-C-O 122.696 1.164 . . . . 10.0 115.217 177.372 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1931 ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -96.25 78.78 3.11 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.664 1.585 . . . . 10.0 109.632 173.016 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1932 ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -73.56 156.14 38.42 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.835 0.854 . . . . 10.0 109.707 -177.687 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1933 ' ' SER . . . . . . . . . . . . . 58.5 m -127.52 115.37 18.74 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.48 1.112 . . . . 10.0 110.593 -179.066 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1934 ' ' ILE . . . . . . . . . . . . . 3.5 mm -85.49 99.31 7.3 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.821 0 O-C-N 121.124 -0.985 . . . . 10.0 109.104 173.595 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1935 ' ' LEU . . . . . . . . . . . . . 3.0 mm? -74.5 75.83 1.95 Allowed 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 125.768 1.627 . . . . 10.0 110.287 175.707 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1936 ' ' VAL . . . . . . . . . . . . . 41.0 t -79.21 108.42 12.76 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 O-C-N 120.209 -1.557 . . . . 10.0 111.192 -178.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1937 ' ' LYS . . . . . . . . . . . . . 65.1 mttm -101.26 137.07 40.09 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 125.206 1.402 . . . . 10.0 112.359 170.339 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1938 ' ' TYR . . . . . . . . . . . . . 71.9 t80 -131.36 116.81 18.04 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 125.658 1.583 . . . . 10.0 108.945 166.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1939 ' ' ASN . . . . . . . . . . . . . 13.4 t-20 51.95 72.54 0.38 Allowed 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 127.6 2.36 . . . . 10.0 112.748 -168.291 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1940 ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 63.68 -19.86 0.06 Allowed 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 128.556 2.742 . . . . 10.0 118.3 175.518 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1941 ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -120.32 154.72 34.62 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 126.211 1.804 . . . . 10.0 110.174 -175.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1942 ' ' HIS . . . . . . . . . . . . . 93.5 m-70 -69.62 147.29 50.87 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 113.517 0.932 . . . . 10.0 113.517 -175.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1943 ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.2 163.47 31.1 Favored Pre-proline 0 N--CA 1.475 0.81 0 C-N-CA 126.788 2.035 . . . . 10.0 111.175 179.507 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1944 ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -56.71 107.8 0.3 Allowed 'Trans proline' 0 N--CA 1.451 -1.012 0 C-N-CA 125.105 3.87 . . . . 10.0 113.025 -176.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1945 ' ' GLY . . . . . . . . . . . . . . . 89.64 0.43 78.95 Favored Glycine 0 CA--C 1.543 1.79 0 N-CA-C 117.007 1.563 . . . . 10.0 117.007 179.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1946 ' ' SER . . . . . . . . . . . . . 1.9 m -72.46 162.76 72.3 Favored Pre-proline 0 CA--C 1.548 0.866 0 CA-C-N 119.253 1.527 . . . . 10.0 114.016 177.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1947 ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -72.48 163.8 87.35 Favored 'Cis proline' 0 C--N 1.357 0.996 0 N-CA-C 114.375 0.875 . . . . 10.0 114.375 -3.259 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1948 ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -97.21 114.36 26.07 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.522 1.129 . . . . 10.0 109.529 176.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1949 ' ' THR . . . . . . . . . . . . . 49.8 m -79.39 101.74 8.3 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 124.093 0.957 . . . . 10.0 111.269 175.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1950 ' ' ALA . . . . . . . . . . . . . . . -93.66 107.76 19.59 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 128.073 2.549 . . . . 10.0 111.833 -175.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1951 ' ' ARG . . . . . . . . . . . . . 18.7 ttt85 -78.49 85.25 4.58 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 113.746 1.017 . . . . 10.0 113.746 -179.611 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1952 ' ' VAL . . . . . . . . . . . . . 2.5 t -66.42 104.05 0.57 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.879 0 C-N-CA 128.042 2.537 . . . . 10.0 111.836 173.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1953 ' ' THR . . . . . . . . . . . . . 26.2 m -81.17 132.99 35.38 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 124.896 1.278 . . . . 10.0 111.553 177.103 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1954 ' ' GLY . . . . . . . . . . . . . . . -107.16 157.44 15.55 Favored Glycine 0 CA--C 1.535 1.34 0 C-N-CA 124.96 1.266 . . . . 10.0 116.148 -170.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1955 ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -83.49 -20.48 33.88 Favored 'General case' 0 CA--C 1.563 1.455 0 N-CA-C 114.831 1.419 . . . . 10.0 114.831 172.122 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1956 ' ' ASP . . . . . . . . . . . . . 37.3 t70 . . . . . 0 C--O 1.256 1.43 0 C-N-CA 126.378 1.871 . . . . 10.0 113.826 178.78 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A 1868 ' ' VAL . . . . . . . . . . . . . 3.5 p . . . . . 0 N--CA 1.478 0.963 0 N-CA-C 108.169 -1.049 . . . . 10.0 108.169 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A 1869 ' ' THR . . . . . . . . . . . . . 77.9 p -148.44 172.51 14.33 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 125.213 1.405 . . . . 10.0 113.225 -166.073 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1870 ' ' ALA . . . . . . . . . . . . . . . -130.97 141.78 50.29 Favored 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 127.408 2.283 . . . . 10.0 110.671 173.103 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1871 ' ' TYR . . . . . . . . . . . . . 49.4 p90 -152.73 158.79 42.83 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.592 1.157 . . . . 10.0 113.161 176.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1872 ' ' GLY . . . . . . . . . . . . . . . 136.57 169.9 11.83 Favored Glycine 0 CA--C 1.536 1.388 0 C-N-CA 126.234 1.873 . . . . 10.0 114.158 171.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1873 ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -72.13 -26.38 18.11 Favored 'Trans proline' 0 C--N 1.352 0.754 0 C-N-CA 124.058 3.172 . . . . 10.0 113.564 -174.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1874 ' ' GLY . . . . . . . . . . . . . . . -66.79 -6.17 35.36 Favored Glycine 0 CA--C 1.534 1.259 0 CA-C-O 118.709 -1.051 . . . . 10.0 114.313 173.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1875 ' ' LEU . . . . . . . . . . . . . 41.0 mt -90.59 -9.62 46.41 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-N 119.059 1.429 . . . . 10.0 113.744 172.398 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1876 ' ' THR . . . . . . . . . . . . . 45.1 p -109.74 -31.54 7.41 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 114.26 1.207 . . . . 10.0 114.26 179.202 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1877 ' ' HIS . . . . . . . . . . . . . 41.7 p-80 -146.99 173.63 12.26 Favored 'General case' 0 N--CA 1.475 0.789 0 O-C-N 120.335 -1.478 . . . . 10.0 112.612 179.351 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1878 ' ' GLY . . . . . . . . . . . . . . . -151.79 170.73 31.25 Favored Glycine 0 CA--C 1.545 1.915 0 C-N-CA 124.541 1.067 . . . . 10.0 114.536 177.131 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1879 ' ' VAL . . . . . . . . . . . . . 25.8 t -134.04 107.65 10.21 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 C-N-CA 124.716 1.206 . . . . 10.0 110.717 179.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1880 ' ' VAL . . . . . . . . . . . . . 91.2 t -50.99 123.35 2.64 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.052 0 C-N-CA 124.533 1.133 . . . . 10.0 110.755 -178.273 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1881 ' ' ASN . . . . . . . . . . . . . 82.0 m-20 72.75 9.6 5.56 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 128.947 2.899 . . . . 10.0 115.77 -178.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1882 ' ' LYS . . . . . . . . . . . . . 10.1 tppt? -116.05 135.0 22.69 Favored Pre-proline 0 CA--C 1.552 1.048 0 C-N-CA 124.565 1.146 . . . . 10.0 110.346 170.346 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1883 ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -54.95 126.63 23.21 Favored 'Trans proline' 0 N--CA 1.463 -0.292 0 C-N-CA 123.922 3.082 . . . . 10.0 113.267 -177.542 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1884 ' ' ALA . . . . . . . . . . . . . . . -106.12 146.72 29.83 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.674 1.19 . . . . 10.0 110.951 174.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1885 ' ' THR . . . . . . . . . . . . . 34.0 p -145.76 159.12 43.63 Favored 'General case' 0 N--CA 1.48 1.065 0 N-CA-C 113.413 0.894 . . . . 10.0 113.413 -173.129 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1886 ' ' PHE . . . . . . . . . . . . . 52.7 p90 -155.68 175.4 13.97 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 125.795 1.638 . . . . 10.0 112.067 168.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1887 ' ' THR . . . . . . . . . . . . . 89.1 m -117.38 140.88 49.0 Favored 'General case' 0 N--CA 1.472 0.631 0 O-C-N 120.634 -1.291 . . . . 10.0 110.198 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1888 ' ' VAL . . . . . . . . . . . . . 2.6 m -118.64 156.26 20.59 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 C-N-CA 125.125 1.37 . . . . 10.0 108.585 166.34 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1889 ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -143.34 108.97 5.11 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 125.408 1.483 . . . . 10.0 110.244 -173.598 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 77.0 p -87.17 -13.81 42.95 Favored 'General case' 0 N--CA 1.483 1.191 0 N-CA-C 116.182 1.919 . . . . 10.0 116.182 -178.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1891 ' ' LYS . . . . . . . . . . . . . 90.0 mttt 46.87 -90.49 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 128.063 2.545 . . . . 10.0 113.306 -170.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 29.4 t70 -88.17 -68.12 0.78 Allowed 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.949 0.9 . . . . 10.0 111.892 173.147 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1893 ' ' ALA . . . . . . . . . . . . . . . 53.91 -32.12 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 131.637 3.975 . . . . 10.0 119.059 -175.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.319 0 CA-C-N 120.797 1.635 . . . . 10.0 112.432 -174.029 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A 1898 ' ' LEU . . . . . . . . . . . . . 2.6 tm? . . . . . 0 CA--C 1.54 0.564 0 N-CA-C 108.97 -0.752 . . . . 10.0 108.97 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A 1899 ' ' SER . . . . . . . . . . . . . 23.3 t -135.02 148.95 50.08 Favored 'General case' 0 C--O 1.221 -0.445 0 C-N-CA 126.295 1.838 . . . . 10.0 110.45 -179.141 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1900 ' ' LEU . . . . . . . . . . . . . 4.0 pp -150.96 166.41 30.73 Favored 'General case' 0 C--O 1.243 0.76 0 N-CA-C 114.708 1.373 . . . . 10.0 114.708 -178.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1901 ' ' ALA . . . . . . . . . . . . . . . -145.13 170.11 16.85 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.546 1.138 . . . . 10.0 111.264 169.276 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1902 ' ' ILE . . . . . . . . . . . . . 1.2 mp -115.53 119.98 63.4 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 C-N-CA 125.242 1.417 . . . . 10.0 108.734 172.503 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1903 ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -105.55 175.21 5.57 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 126.404 1.882 . . . . 10.0 110.575 171.111 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1904 ' ' GLY . . . . . . . . . . . . . . . 148.9 -156.27 26.75 Favored Glycine 0 N--CA 1.476 1.362 0 C-N-CA 124.932 1.253 . . . . 10.0 112.326 -173.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1905 ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -72.95 -15.99 26.0 Favored 'Trans proline' 0 C--N 1.352 0.759 0 CA-C-N 120.081 1.941 . . . . 10.0 112.49 167.443 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1906 ' ' SER . . . . . . . . . . . . . 12.0 t -151.16 167.18 28.56 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 128.669 2.788 . . . . 10.0 110.476 -168.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1907 ' ' LYS . . . . . . . . . . . . . 30.1 mtpp -131.67 173.84 10.73 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 126.686 1.994 . . . . 10.0 111.883 -176.052 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1908 ' ' ALA . . . . . . . . . . . . . . . -139.51 165.04 28.3 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.093 1.357 . . . . 10.0 112.881 -177.411 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1909 ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -70.29 132.02 45.06 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 124.926 1.29 . . . . 10.0 110.057 168.428 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1910 ' ' ILE . . . . . . . . . . . . . 45.0 mm -111.92 120.18 61.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 O-C-N 121.532 -0.73 . . . . 10.0 109.797 -174.408 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1911 ' ' SER . . . . . . . . . . . . . 69.7 m -127.51 149.96 49.9 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 125.938 1.695 . . . . 10.0 110.467 174.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1912 ' ' CYS . . . . . . . . . . . . . 31.8 p -141.42 158.32 44.02 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 126.308 1.843 . . . . 10.0 111.075 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1913 ' ' THR . . . . . . . . . . . . . 34.4 m -143.31 103.67 4.15 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.393 1.077 . . . . 10.0 110.248 -174.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1914 ' ' ASP . . . . . . . . . . . . . 23.0 t70 -73.46 99.83 3.09 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 125.832 1.653 . . . . 10.0 112.604 174.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1915 ' ' ASN . . . . . . . . . . . . . 44.0 m-20 -81.32 -178.16 6.8 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 126.213 1.805 . . . . 10.0 113.933 -178.25 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1916 ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -56.35 -38.19 71.05 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 126.505 1.922 . . . . 10.0 113.641 -179.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1917 ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -94.37 3.67 54.88 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.631 1.173 . . . . 10.0 113.498 -172.545 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1918 ' ' GLY . . . . . . . . . . . . . . . 86.47 2.7 84.84 Favored Glycine 0 CA--C 1.538 1.502 0 C-N-CA 124.596 1.093 . . . . 10.0 114.706 -175.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1919 ' ' THR . . . . . . . . . . . . . 15.5 p -66.57 141.89 57.69 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 120.942 -1.328 . . . . 10.0 109.988 167.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1920 ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -114.26 9.93 17.11 Favored 'General case' 0 CA--C 1.552 1.031 0 N-CA-C 114.575 1.324 . . . . 10.0 114.575 -170.479 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1921 ' ' SER . . . . . . . . . . . . . 67.0 m 17.94 95.56 0.0 OUTLIER 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 130.867 3.667 . . . . 10.0 116.851 172.006 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1922 ' ' VAL . . . . . . . . . . . . . 78.6 t -93.39 138.62 19.86 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 C-N-CA 124.496 1.118 . . . . 10.0 110.594 -175.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1923 ' ' SER . . . . . . . . . . . . . 70.1 m -131.49 135.52 47.16 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 127.157 2.183 . . . . 10.0 109.867 177.23 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1924 ' ' TYR . . . . . . . . . . . . . 17.1 p90 -145.29 176.69 9.36 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 126.495 1.918 . . . . 10.0 112.118 178.514 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1925 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -140.83 99.34 6.79 Favored Pre-proline 0 N--CA 1.477 0.915 0 C-N-CA 123.392 0.677 . . . . 10.0 110.54 -176.44 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1926 ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -66.15 145.14 77.86 Favored 'Trans proline' 0 C--N 1.354 0.844 0 C-N-CA 122.706 2.271 . . . . 10.0 111.722 172.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1927 ' ' VAL . . . . . . . . . . . . . 34.7 m -130.43 -2.27 2.45 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.094 0 C-N-CA 124.214 1.006 . . . . 10.0 113.683 -175.064 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1928 ' ' LEU . . . . . . . . . . . . . 3.2 tt -155.36 133.98 7.28 Favored Pre-proline 0 CA--C 1.552 1.044 0 C-N-CA 124.656 1.182 . . . . 10.0 110.491 178.364 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1929 ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -69.93 142.28 46.78 Favored 'Trans proline' 0 C--N 1.35 0.629 0 C-N-CA 121.936 1.757 . . . . 10.0 112.726 -173.299 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1930 ' ' GLY . . . . . . . . . . . . . . . 167.98 178.02 39.63 Favored Glycine 0 CA--C 1.535 1.337 0 N-CA-C 116.441 1.337 . . . . 10.0 116.441 -173.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1931 ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -81.24 85.01 6.44 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.613 1.965 . . . . 10.0 110.431 173.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1932 ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -72.06 98.39 2.08 Favored 'General case' 0 C--O 1.241 0.631 0 C-N-CA 124.516 1.126 . . . . 10.0 110.899 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1933 ' ' SER . . . . . . . . . . . . . 74.9 m -75.91 105.15 6.79 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.071 1.348 . . . . 10.0 111.47 176.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1934 ' ' ILE . . . . . . . . . . . . . 2.3 mm -76.3 105.97 5.72 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.692 0 C-N-CA 122.956 0.503 . . . . 10.0 109.78 173.059 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1935 ' ' LEU . . . . . . . . . . . . . 4.4 mm? -96.72 107.25 19.67 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.743 1.217 . . . . 10.0 109.907 179.108 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1936 ' ' VAL . . . . . . . . . . . . . 17.7 t -107.8 136.84 41.84 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.305 0 C-N-CA 123.294 0.637 . . . . 10.0 112.043 178.318 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1937 ' ' LYS . . . . . . . . . . . . . 97.3 mttt -126.59 149.61 49.35 Favored 'General case' 0 C--N 1.346 0.44 0 C-N-CA 126.826 2.05 . . . . 10.0 112.728 175.519 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1938 ' ' TYR . . . . . . . . . . . . . 69.1 t80 -139.69 108.2 5.87 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 126.815 2.046 . . . . 10.0 109.755 174.705 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1939 ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 52.25 72.25 0.41 Allowed 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 126.133 1.773 . . . . 10.0 113.759 -175.091 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1940 ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 63.01 3.3 1.21 Allowed 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 116.572 2.064 . . . . 10.0 116.572 171.124 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1941 ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -130.52 160.13 35.05 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 126.734 2.013 . . . . 10.0 111.814 170.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1942 ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -71.19 155.49 40.67 Favored 'General case' 0 CA--C 1.553 1.066 0 CA-C-O 122.137 0.97 . . . . 10.0 113.499 177.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1943 ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -71.63 164.72 55.63 Favored Pre-proline 0 CA--C 1.546 0.812 0 C-N-CA 125.094 1.357 . . . . 10.0 112.69 -176.075 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1944 ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -59.86 -7.92 6.87 Favored 'Trans proline' 0 CA--C 1.538 0.703 1 C-N-CA 126.0 4.467 . . . . 10.0 118.143 -170.4 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1945 ' ' GLY . . . . . . . . . . . . . . . -141.47 5.38 2.35 Favored Glycine 0 CA--C 1.537 1.436 0 C-N-CA 126.756 2.122 . . . . 10.0 115.085 -177.087 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1946 ' ' SER . . . . . . . . . . . . . 4.6 m -68.64 154.41 94.62 Favored Pre-proline 0 CA--C 1.564 1.514 0 CA-C-N 118.927 1.363 . . . . 10.0 113.42 -179.085 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1947 ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -74.17 162.08 93.09 Favored 'Cis proline' 0 CA--C 1.546 1.101 0 CA-C-N 118.676 0.563 . . . . 10.0 111.729 -15.509 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1948 ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -96.66 -16.99 20.67 Favored 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 114.534 1.309 . . . . 10.0 114.534 -179.133 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1949 ' ' THR . . . . . . . . . . . . . 13.4 m 39.09 83.17 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.592 0 C-N-CA 128.85 2.86 . . . . 10.0 115.843 171.236 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1950 ' ' ALA . . . . . . . . . . . . . . . -76.78 170.43 16.48 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 125.56 1.544 . . . . 10.0 111.843 170.114 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1951 ' ' ARG . . . . . . . . . . . . . 52.5 ttt85 -138.08 94.4 2.88 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 113.836 1.05 . . . . 10.0 113.836 171.498 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1952 ' ' VAL . . . . . . . . . . . . . 2.7 t -60.27 134.01 25.66 Favored 'Isoleucine or valine' 0 C--O 1.24 0.562 0 C-N-CA 128.223 2.609 . . . . 10.0 112.586 171.322 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1953 ' ' THR . . . . . . . . . . . . . 15.4 t -119.66 150.82 39.72 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 125.613 1.565 . . . . 10.0 111.523 175.618 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1954 ' ' GLY . . . . . . . . . . . . . . . -86.49 116.22 4.38 Favored Glycine 0 CA--C 1.538 1.491 0 C-N-CA 125.645 1.593 . . . . 10.0 115.595 -169.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1955 ' ' ASP . . . . . . . . . . . . . 35.5 t70 -74.08 -13.94 60.91 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 125.162 1.385 . . . . 10.0 114.224 173.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1956 ' ' ASP . . . . . . . . . . . . . 37.7 t70 . . . . . 0 C--O 1.253 1.26 0 C-N-CA 126.66 1.984 . . . . 10.0 113.611 177.027 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A 1868 ' ' VAL . . . . . . . . . . . . . 10.8 p . . . . . 0 CA--C 1.533 0.298 0 CA-C-O 123.017 1.389 . . . . 10.0 111.381 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A 1869 ' ' THR . . . . . . . . . . . . . 3.5 m -148.42 165.74 30.22 Favored 'General case' 0 C--N 1.319 -0.747 0 C-N-CA 128.019 2.528 . . . . 10.0 108.099 -175.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1870 ' ' ALA . . . . . . . . . . . . . . . -114.93 142.34 46.73 Favored 'General case' 0 CA--C 1.541 0.596 0 CA-C-N 118.905 0.775 . . . . 10.0 111.347 173.202 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1871 ' ' TYR . . . . . . . . . . . . . 33.1 p90 -156.84 168.7 26.66 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.554 1.542 . . . . 10.0 111.037 -178.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1872 ' ' GLY . . . . . . . . . . . . . . . 126.49 179.26 15.68 Favored Glycine 0 N--CA 1.481 1.677 0 O-C-N 120.703 -1.248 . . . . 10.0 114.007 172.368 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1873 ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -54.46 -46.0 36.72 Favored 'Trans proline' 0 CA--C 1.539 0.761 0 C-N-CA 124.334 3.356 . . . . 10.0 113.096 -177.158 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1874 ' ' GLY . . . . . . . . . . . . . . . -60.83 -19.64 56.02 Favored Glycine 0 CA--C 1.539 1.586 0 C-N-CA 125.602 1.573 . . . . 10.0 115.246 -174.669 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1875 ' ' LEU . . . . . . . . . . . . . 13.4 mt -90.4 -21.62 21.86 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 119.968 1.884 . . . . 10.0 113.286 171.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1876 ' ' THR . . . . . . . . . . . . . 86.3 m -80.8 -48.3 12.66 Favored 'General case' 0 N--CA 1.482 1.155 0 O-C-N 121.546 -0.721 . . . . 10.0 110.663 174.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1877 ' ' HIS . . . . . . . . . . . . . 5.1 p80 -148.14 164.14 34.81 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 125.436 1.494 . . . . 10.0 111.048 178.314 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1878 ' ' GLY . . . . . . . . . . . . . . . -129.06 174.62 19.12 Favored Glycine 0 CA--C 1.534 1.234 0 C-N-CA 126.414 1.959 . . . . 10.0 112.902 178.148 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1879 ' ' VAL . . . . . . . . . . . . . 8.0 p -136.31 137.89 47.6 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 124.945 1.298 . . . . 10.0 111.029 169.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1880 ' ' VAL . . . . . . . . . . . . . 54.1 t -84.47 141.03 15.22 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.315 0 C-N-CA 126.378 1.871 . . . . 10.0 112.382 -171.163 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1881 ' ' ASN . . . . . . . . . . . . . 70.6 m-80 53.38 18.6 1.36 Allowed 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 126.588 1.955 . . . . 10.0 116.075 -177.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1882 ' ' LYS . . . . . . . . . . . . . 20.1 tptm -136.31 143.21 42.66 Favored Pre-proline 0 N--CA 1.485 1.276 0 C-N-CA 125.553 1.541 . . . . 10.0 109.75 170.49 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1883 ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -56.63 134.56 65.18 Favored 'Trans proline' 0 C--O 1.243 0.747 0 C-N-CA 123.932 3.088 . . . . 10.0 112.08 -177.033 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1884 ' ' ALA . . . . . . . . . . . . . . . -120.69 161.25 21.73 Favored 'General case' 0 C--O 1.243 0.738 0 C-N-CA 125.271 1.428 . . . . 10.0 109.854 174.676 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1885 ' ' THR . . . . . . . . . . . . . 29.5 p -148.23 153.34 38.6 Favored 'General case' 0 N--CA 1.485 1.322 0 N-CA-C 114.338 1.236 . . . . 10.0 114.338 -169.083 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1886 ' ' PHE . . . . . . . . . . . . . 45.5 p90 -148.21 168.35 22.71 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.189 0.996 . . . . 10.0 111.249 168.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1887 ' ' THR . . . . . . . . . . . . . 95.5 m -104.23 141.26 36.59 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 124.604 1.162 . . . . 10.0 111.44 -173.375 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1888 ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -126.57 148.12 31.36 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 C-N-CA 125.942 1.697 . . . . 10.0 107.335 169.054 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1889 ' ' ASN . . . . . . . . . . . . . 42.4 t30 -122.79 63.11 0.98 Allowed 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 113.741 -1.572 . . . . 10.0 113.256 -165.255 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 22.1 p -68.67 1.62 3.08 Favored 'General case' 0 N--CA 1.478 0.933 0 N-CA-C 115.054 1.502 . . . . 10.0 115.054 175.333 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1891 ' ' LYS . . . . . . . . . . . . . 74.8 mttt -50.05 -51.05 45.47 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 127.542 2.337 . . . . 10.0 112.489 176.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 32.8 t70 -78.14 -28.07 48.34 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.185 1.394 . . . . 10.0 114.099 179.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1893 ' ' ALA . . . . . . . . . . . . . . . -69.09 -31.84 70.85 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.214 1.406 . . . . 10.0 112.415 172.503 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 1.776 0 C-N-CA 125.753 1.644 . . . . 10.0 114.724 173.554 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A 1898 ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.545 0.787 0 N-CA-C 113.124 0.787 . . . . 10.0 113.124 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1899 ' ' SER . . . . . . . . . . . . . 74.5 m -141.58 148.37 39.18 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.642 0.777 . . . . 10.0 109.83 175.355 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1900 ' ' LEU . . . . . . . . . . . . . 4.0 pp -153.2 172.33 17.12 Favored 'General case' 0 C--O 1.237 0.405 0 O-C-N 120.793 -1.192 . . . . 10.0 114.212 170.167 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1901 ' ' ALA . . . . . . . . . . . . . . . -143.31 164.6 29.78 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 125.402 1.481 . . . . 10.0 111.274 168.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1902 ' ' ILE . . . . . . . . . . . . . 2.2 mp -121.11 116.8 50.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 124.907 1.283 . . . . 10.0 108.939 170.343 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1903 ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -100.09 175.45 5.74 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 126.963 2.105 . . . . 10.0 110.426 170.244 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1904 ' ' GLY . . . . . . . . . . . . . . . 155.85 -165.63 32.68 Favored Glycine 0 CA--C 1.535 1.329 0 C-N-CA 124.155 0.884 . . . . 10.0 113.639 -170.066 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1905 ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -73.63 -19.99 20.83 Favored 'Trans proline' 0 CA--C 1.556 1.588 0 C-N-CA 124.131 3.221 . . . . 10.0 110.614 170.396 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1906 ' ' SER . . . . . . . . . . . . . 9.0 t -151.57 -178.68 6.83 Favored 'General case' 0 C--O 1.239 0.536 0 C-N-CA 128.124 2.57 . . . . 10.0 110.544 -166.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1907 ' ' LYS . . . . . . . . . . . . . 68.6 mttm -103.77 167.86 9.51 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 126.568 1.947 . . . . 10.0 113.099 -174.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1908 ' ' ALA . . . . . . . . . . . . . . . -143.0 159.16 42.77 Favored 'General case' 0 CA--C 1.557 1.235 0 C-N-CA 125.017 1.327 . . . . 10.0 111.687 175.311 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1909 ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -87.8 83.7 7.11 Favored 'General case' 0 N--CA 1.48 1.033 0 O-C-N 120.852 -1.155 . . . . 10.0 111.718 176.487 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1910 ' ' ILE . . . . . . . . . . . . . 15.3 mt -69.11 133.1 32.42 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.334 0 O-C-N 121.145 -0.972 . . . . 10.0 110.779 -178.297 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1911 ' ' SER . . . . . . . . . . . . . 7.4 t -146.6 170.63 16.52 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.633 1.573 . . . . 10.0 112.138 168.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1912 ' ' CYS . . . . . . . . . . . . . 27.4 p -138.17 160.24 39.93 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 125.85 1.66 . . . . 10.0 113.135 177.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1913 ' ' THR . . . . . . . . . . . . . 30.9 m -146.92 113.6 6.04 Favored 'General case' 0 N--CA 1.47 0.534 0 O-C-N 121.85 -0.531 . . . . 10.0 110.408 -171.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1914 ' ' ASP . . . . . . . . . . . . . 32.7 t70 -69.85 132.58 46.25 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.212 1.405 . . . . 10.0 109.247 167.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1915 ' ' ASN . . . . . . . . . . . . . 71.5 m-80 -130.97 167.06 19.65 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 125.069 1.347 . . . . 10.0 112.513 -176.241 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1916 ' ' GLN . . . . . . . . . . . . . 43.4 tt0 -59.74 -30.34 68.76 Favored 'General case' 0 CA--C 1.557 1.243 0 C-N-CA 125.285 1.434 . . . . 10.0 113.399 174.209 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1917 ' ' ASP . . . . . . . . . . . . . 35.0 t70 -75.34 -14.82 60.51 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.846 1.258 . . . . 10.0 111.893 178.317 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1918 ' ' GLY . . . . . . . . . . . . . . . 95.32 2.03 62.22 Favored Glycine 0 CA--C 1.547 2.036 0 C-N-CA 125.834 1.683 . . . . 10.0 115.022 174.355 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1919 ' ' THR . . . . . . . . . . . . . 81.1 p -70.12 166.03 20.75 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 125.916 1.686 . . . . 10.0 112.6 174.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1920 ' ' CYS . . . . . . . . . . . . . 1.1 t -106.26 6.82 31.02 Favored 'General case' 0 CA--C 1.558 1.263 0 C-N-CA 124.999 1.32 . . . . 10.0 112.689 170.038 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1921 ' ' SER . . . . . . . . . . . . . 7.1 t 14.57 92.86 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.233 1 C-N-CA 132.726 4.41 . . . . 10.0 115.993 175.613 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1922 ' ' VAL . . . . . . . . . . . . . 41.0 t -88.84 136.2 23.96 Favored 'Isoleucine or valine' 0 C--O 1.243 0.759 0 CA-C-O 122.467 1.127 . . . . 10.0 111.097 -176.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1923 ' ' SER . . . . . . . . . . . . . 62.8 p -116.17 154.69 29.59 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 126.635 1.974 . . . . 10.0 111.418 172.189 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1924 ' ' TYR . . . . . . . . . . . . . 14.1 p90 -148.92 169.28 20.92 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 126.915 2.086 . . . . 10.0 110.53 176.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1925 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -151.2 82.7 5.75 Favored Pre-proline 0 CA--C 1.56 1.335 0 O-C-N 120.671 -1.268 . . . . 10.0 110.216 -171.695 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1926 ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -73.12 122.99 8.5 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 123.737 2.958 . . . . 10.0 111.203 -176.276 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1927 ' ' VAL . . . . . . . . . . . . . 27.1 m -78.38 -14.65 13.88 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.146 0 O-C-N 121.026 -1.047 . . . . 10.0 113.736 -177.546 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1928 ' ' LEU . . . . . . . . . . . . . 20.0 mt -145.58 160.65 43.95 Favored Pre-proline 0 CA--C 1.539 0.54 0 C-N-CA 125.485 1.514 . . . . 10.0 112.074 177.437 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1929 ' ' PRO . . . . . . . . . . . . . 27.5 Cg_exo -58.98 154.42 44.98 Favored 'Trans proline' 0 C--N 1.354 0.824 0 C-N-CA 123.224 2.616 . . . . 10.0 113.36 172.117 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1930 ' ' GLY . . . . . . . . . . . . . . . 165.43 178.09 38.27 Favored Glycine 0 CA--C 1.534 1.276 0 N-CA-C 117.074 1.59 . . . . 10.0 117.074 176.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1931 ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -99.61 93.12 5.68 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 124.858 1.263 . . . . 10.0 108.54 171.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1932 ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -93.3 106.09 18.09 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.48 1.112 . . . . 10.0 111.677 -170.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1933 ' ' SER . . . . . . . . . . . . . 75.7 m -73.66 106.72 5.54 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.299 1.04 . . . . 10.0 111.02 179.037 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1934 ' ' ILE . . . . . . . . . . . . . 3.2 mm -79.05 119.4 28.23 Favored 'Isoleucine or valine' 0 C--O 1.244 0.81 0 N-CA-C 107.986 -1.116 . . . . 10.0 107.986 169.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1935 ' ' LEU . . . . . . . . . . . . . 4.5 mm? -107.87 90.82 3.42 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 126.36 1.864 . . . . 10.0 108.529 -178.163 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1936 ' ' VAL . . . . . . . . . . . . . 15.2 t -93.64 139.45 18.25 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.331 0 C-N-CA 124.571 1.148 . . . . 10.0 110.18 -179.321 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1937 ' ' LYS . . . . . . . . . . . . . 99.0 mttt -131.0 153.34 49.34 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 127.583 2.353 . . . . 10.0 113.087 179.52 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1938 ' ' TYR . . . . . . . . . . . . . 7.1 t80 -143.32 120.89 11.75 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 124.321 1.048 . . . . 10.0 109.36 165.173 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1939 ' ' ASN . . . . . . . . . . . . . 6.8 t30 48.26 78.81 0.08 Allowed 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 127.713 2.405 . . . . 10.0 112.976 -172.547 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1940 ' ' GLU . . . . . . . . . . . . 0.306 10.1 pt-20 52.64 8.99 0.1 Allowed 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 129.438 3.095 . . . . 10.0 118.773 173.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1941 ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -132.82 159.37 40.0 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.115 1.366 . . . . 10.0 112.373 169.587 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1942 ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -69.66 155.69 40.12 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-O 121.914 0.864 . . . . 10.0 112.812 176.326 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1943 ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -75.45 165.54 52.75 Favored Pre-proline 0 CA--C 1.545 0.758 0 CA-C-N 114.739 -1.119 . . . . 10.0 112.801 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1944 ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -63.9 -26.13 67.08 Favored 'Trans proline' 0 CA--C 1.533 0.449 0 C-N-CA 125.193 3.929 . . . . 10.0 116.167 -174.605 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1945 ' ' GLY . . . . . . . . . . . . . . . -95.95 -15.99 40.27 Favored Glycine 0 CA--C 1.542 1.733 0 C-N-CA 125.671 1.605 . . . . 10.0 114.166 179.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1946 ' ' SER . . . . . . . . . . . . . 38.6 m -72.08 152.49 92.7 Favored Pre-proline 0 C--O 1.245 0.851 0 C-N-CA 126.053 1.741 . . . . 10.0 112.921 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1947 ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -73.19 157.28 99.22 Favored 'Cis proline' 0 C--N 1.356 0.959 0 CA-C-N 119.152 0.733 . . . . 10.0 112.668 -14.408 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1948 ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -101.72 -15.01 17.12 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 115.629 1.715 . . . . 10.0 115.629 -170.548 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1949 ' ' THR . . . . . . . . . . . . . 15.5 m 27.73 80.37 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.605 0 C-N-CA 128.895 2.878 . . . . 10.0 114.935 -177.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1950 ' ' ALA . . . . . . . . . . . . . . . -72.54 162.23 29.75 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.706 1.202 . . . . 10.0 112.79 179.236 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1951 ' ' ARG . . . . . . . . . . . . . 18.2 ttt-85 -127.64 85.63 2.38 Favored 'General case' 0 N--CA 1.481 1.089 0 CA-C-O 123.328 1.537 . . . . 10.0 113.532 -174.517 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1952 ' ' VAL . . . . . . . . . . . . . 2.9 t -70.19 109.6 2.85 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 C-N-CA 127.795 2.438 . . . . 10.0 112.209 179.375 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1953 ' ' THR . . . . . . . . . . . . . 93.9 m -78.94 133.39 36.91 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.518 1.527 . . . . 10.0 111.747 174.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1954 ' ' GLY . . . . . . . . . . . . . . . -78.16 76.52 1.78 Allowed Glycine 0 CA--C 1.528 0.88 0 C-N-CA 125.335 1.445 . . . . 10.0 112.282 174.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1955 ' ' ASP . . . . . . . . . . . . . 27.7 t70 -77.48 -25.54 50.55 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 113.357 0.873 . . . . 10.0 113.357 178.143 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1956 ' ' ASP . . . . . . . . . . . . . 33.9 t70 . . . . . 0 C--O 1.261 1.705 0 C-N-CA 126.987 2.115 . . . . 10.0 114.602 177.133 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A 1868 ' ' VAL . . . . . . . . . . . . . 6.4 p . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 120.648 0.261 . . . . 10.0 110.863 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A 1869 ' ' THR . . . . . . . . . . . . . 42.4 p -144.29 172.52 12.81 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 125.326 1.451 . . . . 10.0 111.163 -178.193 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1870 ' ' ALA . . . . . . . . . . . . . . . -130.29 120.56 24.58 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.383 1.073 . . . . 10.0 109.562 170.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1871 ' ' TYR . . . . . . . . . . . . . 48.0 p90 -148.29 156.46 42.56 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 125.081 1.352 . . . . 10.0 112.423 -177.524 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1872 ' ' GLY . . . . . . . . . . . . . . . 136.38 175.46 13.82 Favored Glycine 0 CA--C 1.54 1.625 0 C-N-CA 125.547 1.546 . . . . 10.0 114.498 174.117 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1873 ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -65.4 -27.48 54.88 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 123.65 2.9 . . . . 10.0 113.22 -177.068 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1874 ' ' GLY . . . . . . . . . . . . . . . -69.22 -4.47 43.57 Favored Glycine 0 CA--C 1.549 2.169 0 N-CA-C 115.633 1.013 . . . . 10.0 115.633 177.124 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1875 ' ' LEU . . . . . . . . . . . . . 18.5 mt -103.43 -7.1 21.23 Favored 'General case' 0 CA--C 1.556 1.19 0 CA-C-N 119.742 1.771 . . . . 10.0 113.036 171.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1876 ' ' THR . . . . . . . . . . . . . 68.7 p -111.86 -41.12 4.08 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.267 1.027 . . . . 10.0 112.208 -176.487 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1877 ' ' HIS . . . . . . . . . . . . . 43.3 p-80 -143.27 -176.94 5.13 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 126.931 2.092 . . . . 10.0 112.042 178.498 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1878 ' ' GLY . . . . . . . . . . . . . . . -154.16 169.68 32.64 Favored Glycine 0 CA--C 1.537 1.468 0 C-N-CA 124.063 0.839 . . . . 10.0 113.468 170.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1879 ' ' VAL . . . . . . . . . . . . . 6.2 t -120.59 104.74 15.8 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.36 0 C-N-CA 125.692 1.597 . . . . 10.0 108.841 -178.072 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1880 ' ' VAL . . . . . . . . . . . . . 72.8 t -57.18 122.1 5.88 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 C-N-CA 123.632 0.773 . . . . 10.0 112.093 -178.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1881 ' ' ASN . . . . . . . . . . . . 0.253 64.7 m-80 67.78 11.23 8.27 Favored 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 127.826 2.45 . . . . 10.0 116.478 -177.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1882 ' ' LYS . . . . . . . . . . . . . 47.7 mtmt -128.74 151.58 77.4 Favored Pre-proline 0 CA--C 1.541 0.596 0 C-N-CA 124.576 1.151 . . . . 10.0 112.413 167.523 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1883 ' ' PRO . . . . . . . . . . . . . 39.8 Cg_exo -64.15 153.43 76.36 Favored 'Trans proline' 0 CA--C 1.544 0.977 0 C-N-CA 123.566 2.844 . . . . 10.0 111.698 -166.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1884 ' ' ALA . . . . . . . . . . . . . . . -141.75 156.75 45.58 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.458 1.103 . . . . 10.0 111.213 175.049 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1885 ' ' THR . . . . . . . . . . . . . 46.1 p -146.81 159.56 43.36 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.923 1.289 . . . . 10.0 112.521 -171.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1886 ' ' PHE . . . . . . . . . . . . . 48.5 p90 -150.23 172.3 15.56 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 125.611 1.564 . . . . 10.0 110.369 168.127 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1887 ' ' THR . . . . . . . . . . . . . 58.6 m -118.43 133.54 55.79 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 124.879 1.272 . . . . 10.0 110.865 -175.113 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1888 ' ' VAL . . . . . . . . . . . . . 1.5 m -126.3 82.3 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 CA-C-O 125.32 2.485 . . . . 10.0 108.098 171.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1889 ' ' ASN . . . . . . . . . . . . . 57.3 t30 -62.4 75.09 0.02 OUTLIER 'General case' 0 C--N 1.312 -1.037 0 C-N-CA 129.145 2.978 . . . . 10.0 113.024 177.307 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 16.8 p -76.03 35.23 0.13 Allowed 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 127.405 2.282 . . . . 10.0 113.544 174.423 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1891 ' ' LYS . . . . . . . . . . . . . 19.3 ptmt -30.13 -56.4 0.18 Allowed 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 130.438 3.495 . . . . 10.0 115.474 -170.373 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -125.82 4.02 7.39 Favored 'General case' 0 CA--C 1.555 1.155 0 C-N-CA 126.963 2.105 . . . . 10.0 113.228 172.03 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1893 ' ' ALA . . . . . . . . . . . . . . . -76.16 -4.19 40.31 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 129.051 2.941 . . . . 10.0 113.74 173.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.281 0 C-N-CA 126.348 1.928 . . . . 10.0 115.404 -171.961 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A 1898 ' ' LEU . . . . . . . . . . . . . 1.6 pp . . . . . 0 CA--C 1.536 0.415 0 N-CA-C 114.19 1.182 . . . . 10.0 114.19 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A 1899 ' ' SER . . . . . . . . . . . . . 23.7 t -147.23 149.67 33.37 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 125.593 1.557 . . . . 10.0 110.097 170.464 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1900 ' ' LEU . . . . . . . . . . . . . 4.4 pp -153.17 167.79 28.13 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.909 1.684 . . . . 10.0 111.611 171.194 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1901 ' ' ALA . . . . . . . . . . . . . . . -144.0 169.19 18.3 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.929 0.892 . . . . 10.0 112.102 169.154 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1902 ' ' ILE . . . . . . . . . . . . . 3.5 mp -121.63 135.01 63.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 C-N-CA 124.44 1.096 . . . . 10.0 108.877 173.495 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1903 ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -129.05 176.11 8.16 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 128.418 2.687 . . . . 10.0 111.374 176.094 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1904 ' ' GLY . . . . . . . . . . . . . . . 160.15 -154.5 25.54 Favored Glycine 0 CA--C 1.538 1.495 0 C-N-CA 124.001 0.81 . . . . 10.0 113.076 -178.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1905 ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -72.14 -13.34 28.5 Favored 'Trans proline' 0 CA--C 1.547 1.128 0 C-N-CA 122.17 1.913 . . . . 10.0 111.949 168.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1906 ' ' SER . . . . . . . . . . . . . 23.2 t -151.35 -174.25 4.76 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 128.733 2.813 . . . . 10.0 110.03 -168.344 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1907 ' ' LYS . . . . . . . . . . . . . 34.2 tptt -129.92 166.08 20.75 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 126.031 1.733 . . . . 10.0 111.983 -174.608 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1908 ' ' ALA . . . . . . . . . . . . . . . -135.75 159.64 41.03 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 127.156 2.182 . . . . 10.0 112.972 -177.384 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1909 ' ' GLU . . . . . . . . . . . . . 72.8 tt0 -85.0 78.55 9.89 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 124.371 1.068 . . . . 10.0 111.465 178.232 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1910 ' ' ILE . . . . . . . . . . . . . 20.0 mt -69.16 130.12 33.95 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 C-N-CA 125.156 1.382 . . . . 10.0 110.708 -178.682 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1911 ' ' SER . . . . . . . . . . . . . 11.0 t -146.63 152.36 38.76 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 123.418 0.687 . . . . 10.0 111.457 172.55 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1912 ' ' CYS . . . . . . . . . . . . . 60.0 m -125.51 154.49 42.03 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 124.034 0.934 . . . . 10.0 112.483 -171.316 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1913 ' ' THR . . . . . . . . . . . . . 62.0 m -131.3 143.5 50.58 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.106 0.962 . . . . 10.0 111.345 -176.371 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1914 ' ' ASP . . . . . . . . . . . . . 14.8 t0 -144.34 95.3 2.69 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 126.087 1.755 . . . . 10.0 111.089 178.183 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1915 ' ' ASN . . . . . . . . . . . . . 26.2 m120 -133.65 -155.14 0.65 Allowed 'General case' 0 CA--C 1.554 1.109 0 C-N-CA 126.85 2.06 . . . . 10.0 110.563 178.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1916 ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -45.37 -35.65 3.74 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 127.651 2.38 . . . . 10.0 115.5 -170.405 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1917 ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -75.88 -14.43 60.27 Favored 'General case' 0 CA--C 1.547 0.827 0 O-C-N 120.16 -1.588 . . . . 10.0 113.786 -178.587 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1918 ' ' GLY . . . . . . . . . . . . . . . 71.55 4.3 56.97 Favored Glycine 0 CA--C 1.537 1.419 0 C-N-CA 124.4 1.0 . . . . 10.0 115.596 174.546 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1919 ' ' THR . . . . . . . . . . . . . 65.0 p -71.45 175.05 5.81 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 126.231 1.812 . . . . 10.0 112.821 179.17 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1920 ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -106.26 22.51 15.62 Favored 'General case' 0 CA--C 1.549 0.922 0 O-C-N 121.463 -0.773 . . . . 10.0 111.634 171.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1921 ' ' SER . . . . . . . . . . . . . 21.6 m -40.94 133.65 2.11 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 128.24 2.616 . . . . 10.0 114.454 -168.693 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1922 ' ' VAL . . . . . . . . . . . . . 28.7 t -123.14 132.79 70.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 124.424 1.09 . . . . 10.0 110.353 -171.318 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1923 ' ' SER . . . . . . . . . . . . . 23.1 t -110.35 151.77 27.03 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 126.173 1.789 . . . . 10.0 110.529 169.534 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1924 ' ' TYR . . . . . . . . . . . . . 15.7 p90 -150.92 170.85 18.32 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 124.568 1.147 . . . . 10.0 111.367 174.559 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1925 ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -149.34 97.22 3.58 Favored Pre-proline 0 CA--C 1.538 0.51 0 C-N-CA 124.8 1.24 . . . . 10.0 108.84 -174.715 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1926 ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -72.82 150.43 49.71 Favored 'Trans proline' 0 CA--C 1.533 0.437 0 C-N-CA 123.497 2.798 . . . . 10.0 112.196 177.253 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1927 ' ' VAL . . . . . . . . . . . . . 33.3 m -116.08 -7.23 12.08 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.212 0 N-CA-C 114.889 1.44 . . . . 10.0 114.889 -178.055 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1928 ' ' LEU . . . . . . . . . . . . . 1.8 tt -148.16 143.59 17.76 Favored Pre-proline 0 N--CA 1.474 0.758 0 C-N-CA 125.278 1.431 . . . . 10.0 110.138 -178.35 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1929 ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -57.79 152.3 50.62 Favored 'Trans proline' 0 CA--C 1.541 0.845 0 C-N-CA 124.482 3.454 . . . . 10.0 113.825 177.587 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1930 ' ' GLY . . . . . . . . . . . . . . . 168.7 -178.78 41.95 Favored Glycine 0 N--CA 1.47 0.902 0 N-CA-C 116.218 1.247 . . . . 10.0 116.218 172.273 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1931 ' ' ASP . . . . . . . . . . . . . 17.9 p-10 -102.96 73.41 1.25 Allowed 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 127.097 2.159 . . . . 10.0 109.594 172.428 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1932 ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -66.32 158.07 30.07 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.084 1.354 . . . . 10.0 111.612 -175.399 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1933 ' ' SER . . . . . . . . . . . . . 31.9 t -120.01 117.15 27.27 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 126.553 1.941 . . . . 10.0 110.974 179.47 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1934 ' ' ILE . . . . . . . . . . . . . 3.5 mm -87.92 108.74 18.82 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 C-N-CA 123.638 0.775 . . . . 10.0 109.354 170.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1935 ' ' LEU . . . . . . . . . . . . . 2.8 mm? -86.99 87.89 7.57 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.357 1.463 . . . . 10.0 108.345 175.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1936 ' ' VAL . . . . . . . . . . . . . 19.1 t -90.08 139.72 17.07 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 CA-C-N 119.479 1.036 . . . . 10.0 110.72 177.211 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1937 ' ' LYS . . . . . . . . . . . . . 62.3 mttm -125.47 168.39 13.68 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 125.511 1.524 . . . . 10.0 111.821 170.545 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1938 ' ' TYR . . . . . . . . . . . . . 82.4 t80 -134.83 128.97 33.77 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.119 0.967 . . . . 10.0 109.745 163.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1939 ' ' ASN . . . . . . . . . . . . . 19.1 t-20 60.49 -59.97 0.07 Allowed 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 129.153 2.981 . . . . 10.0 114.217 -171.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1940 ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -152.32 -10.61 0.18 Allowed 'General case' 0 CA--C 1.555 1.137 0 N-CA-C 116.33 1.974 . . . . 10.0 116.33 -179.399 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1941 ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -137.02 159.37 42.08 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 125.371 1.469 . . . . 10.0 112.016 -173.162 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1942 ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -63.4 147.01 52.38 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 113.496 0.924 . . . . 10.0 113.496 -169.434 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1943 ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -67.18 161.58 62.44 Favored Pre-proline 0 CA--C 1.549 0.939 0 C-N-CA 126.201 1.8 . . . . 10.0 113.358 -177.441 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1944 ' ' PRO . . . . . . . . . . . . . 41.0 Cg_exo -59.24 -11.41 13.09 Favored 'Trans proline' 0 CA--C 1.537 0.634 0 C-N-CA 125.227 3.952 . . . . 10.0 118.016 -170.091 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1945 ' ' GLY . . . . . . . . . . . . . . . -132.2 1.66 4.97 Favored Glycine 0 CA--C 1.529 0.96 0 C-N-CA 128.34 2.876 . . . . 10.0 115.999 177.608 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1946 ' ' SER . . . . . . . . . . . . . 3.5 m -66.13 152.88 93.2 Favored Pre-proline 0 C--O 1.243 0.728 0 CA-C-N 119.779 1.79 . . . . 10.0 112.818 177.175 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1947 ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -78.69 168.34 75.29 Favored 'Cis proline' 0 CA--C 1.555 1.568 0 CA-C-N 119.355 0.805 . . . . 10.0 112.337 -5.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1948 ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -116.65 112.22 20.96 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 125.004 1.322 . . . . 10.0 111.138 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1949 ' ' THR . . . . . . . . . . . . . 57.5 m -73.97 110.14 8.02 Favored 'General case' 0 N--CA 1.49 1.575 0 C-N-CA 125.839 1.656 . . . . 10.0 111.635 173.466 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1950 ' ' ALA . . . . . . . . . . . . . . . -112.08 118.46 35.46 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.793 1.237 . . . . 10.0 112.408 179.561 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1951 ' ' ARG . . . . . . . . . . . . . 11.0 ttm180 -80.84 78.89 7.58 Favored 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 114.425 1.268 . . . . 10.0 114.425 -176.66 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1952 ' ' VAL . . . . . . . . . . . . . 46.6 t -56.7 94.97 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 C-N-CA 128.192 2.597 . . . . 10.0 110.9 168.416 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1953 ' ' THR . . . . . . . . . . . . . 61.5 m -89.18 133.02 34.58 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.253 1.021 . . . . 10.0 112.467 -168.569 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1954 ' ' GLY . . . . . . . . . . . . . . . -82.89 92.41 1.63 Allowed Glycine 0 N--CA 1.468 0.817 0 C-N-CA 126.387 1.946 . . . . 10.0 111.968 176.237 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1955 ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -68.59 -21.88 64.49 Favored 'General case' 0 N--CA 1.483 1.201 0 N-CA-C 113.845 1.054 . . . . 10.0 113.845 -176.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1956 ' ' ASP . . . . . . . . . . . . . 28.6 t70 . . . . . 0 C--O 1.254 1.306 0 C-N-CA 128.833 2.853 . . . . 10.0 111.975 173.009 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A 1868 ' ' VAL . . . . . . . . . . . . . 11.3 m . . . . . 0 N--CA 1.483 1.197 0 CA-C-O 120.293 0.092 . . . . 10.0 110.789 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A 1869 ' ' THR . . . . . . . . . . . . . 16.7 p -139.28 166.27 24.99 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.19 1.396 . . . . 10.0 112.597 -176.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1870 ' ' ALA . . . . . . . . . . . . . . . -130.1 145.17 51.67 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 126.666 1.986 . . . . 10.0 111.211 177.131 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1871 ' ' TYR . . . . . . . . . . . . . 48.6 p90 -153.95 172.68 17.05 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 125.233 1.413 . . . . 10.0 111.737 -171.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1872 ' ' GLY . . . . . . . . . . . . . . . 111.18 170.05 19.06 Favored Glycine 0 N--CA 1.48 1.587 0 C-N-CA 125.591 1.567 . . . . 10.0 115.411 176.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1873 ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -71.47 -23.73 23.25 Favored 'Trans proline' 0 C--N 1.355 0.912 0 C-N-CA 123.778 2.985 . . . . 10.0 113.985 -172.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1874 ' ' GLY . . . . . . . . . . . . . . . -70.13 -6.29 56.49 Favored Glycine 0 CA--C 1.534 1.251 0 O-C-N 120.307 -1.496 . . . . 10.0 113.728 175.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1875 ' ' LEU . . . . . . . . . . . . . 42.7 mt -81.58 -17.11 49.44 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 119.332 1.566 . . . . 10.0 112.134 169.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1876 ' ' THR . . . . . . . . . . . . . 82.1 p -126.18 -19.09 4.81 Favored 'General case' 0 N--CA 1.485 1.308 0 N-CA-C 114.896 1.443 . . . . 10.0 114.896 -176.371 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1877 ' ' HIS . . . . . . . . . . . . . 43.8 t60 -130.88 175.36 9.12 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 125.663 1.585 . . . . 10.0 110.881 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1878 ' ' GLY . . . . . . . . . . . . . . . -167.32 169.13 40.88 Favored Glycine 0 CA--C 1.542 1.763 0 O-C-N 120.293 -1.504 . . . . 10.0 113.992 -179.185 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1879 ' ' VAL . . . . . . . . . . . . . 11.0 p -137.35 154.93 31.01 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.157 0 C-N-CA 127.247 2.219 . . . . 10.0 109.313 171.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1880 ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -121.49 149.87 24.64 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.215 0 N-CA-C 114.259 1.207 . . . . 10.0 114.259 -169.231 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1881 ' ' ASN . . . . . . . . . . . . . 52.2 m-80 61.27 0.25 0.41 Allowed 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 127.747 2.419 . . . . 10.0 114.258 -168.594 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1882 ' ' LYS . . . . . . . . . . . . . 48.5 mtmt -128.72 157.72 74.42 Favored Pre-proline 0 CA--C 1.543 0.684 0 C-N-CA 126.366 1.866 . . . . 10.0 109.935 167.351 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1883 ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -67.14 140.15 52.99 Favored 'Trans proline' 0 N--CA 1.447 -1.223 0 C-N-CA 124.624 3.549 . . . . 10.0 113.43 -168.155 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1884 ' ' ALA . . . . . . . . . . . . . . . -106.6 150.72 25.9 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-O 122.583 1.183 . . . . 10.0 110.27 168.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1885 ' ' THR . . . . . . . . . . . . . 49.1 p -147.92 161.09 42.02 Favored 'General case' 0 N--CA 1.474 0.766 0 O-C-N 120.813 -1.179 . . . . 10.0 112.119 -175.339 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1886 ' ' PHE . . . . . . . . . . . . . 51.1 p90 -150.78 177.53 10.0 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 127.284 2.234 . . . . 10.0 110.451 169.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1887 ' ' THR . . . . . . . . . . . . . 24.2 m -126.17 154.9 42.56 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 123.493 0.717 . . . . 10.0 111.067 -176.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1888 ' ' VAL . . . . . 0.698 ' CG2' ' H ' ' A' 1920 ' ' CYS . 15.8 m -133.43 -179.04 3.01 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 C-N-CA 126.164 1.786 . . . . 10.0 109.365 177.256 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1889 ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -137.02 63.94 1.55 Allowed 'General case' 0 C--O 1.244 0.8 0 CA-C-O 123.493 1.616 . . . . 10.0 110.641 168.337 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 17.6 p -80.24 66.84 5.88 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 128.315 2.646 . . . . 10.0 111.11 -176.521 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1891 ' ' LYS . . . . . . . . . . . . . 25.6 pttm -64.19 -26.88 68.72 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 116.985 2.216 . . . . 10.0 116.985 -169.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 29.8 t70 -137.62 9.12 2.87 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 126.184 1.794 . . . . 10.0 113.253 -178.142 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1893 ' ' ALA . . . . . . . . . . . . . . . -60.06 -22.64 62.96 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 117.773 2.509 . . . . 10.0 117.773 -169.453 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 1.828 0 C-N-CA 125.437 1.494 . . . . 10.0 113.968 179.899 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A 1898 ' ' LEU . . . . . . . . . . . . . 3.1 tm? . . . . . 0 N--CA 1.478 0.957 0 CA-C-O 119.841 -0.124 . . . . 10.0 111.062 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A 1899 ' ' SER . . . . . . . . . . . . . 23.0 t -151.19 146.41 26.08 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 125.448 1.499 . . . . 10.0 110.023 168.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1900 ' ' LEU . . . . . . . . . . . . . 3.9 pp -151.69 164.5 36.8 Favored 'General case' 0 C--O 1.239 0.529 0 C-N-CA 124.467 1.107 . . . . 10.0 113.924 174.241 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1901 ' ' ALA . . . . . . . . . . . . . . . -151.47 171.12 18.04 Favored 'General case' 0 CA--C 1.554 1.107 0 C-N-CA 124.786 1.234 . . . . 10.0 111.11 169.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1902 ' ' ILE . . . . . . . . . . . . . 1.8 mp -114.57 136.47 51.09 Favored 'Isoleucine or valine' 0 C--O 1.238 0.466 0 C-N-CA 125.619 1.568 . . . . 10.0 108.85 170.369 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1903 ' ' GLU . . . . . . . . . . . . . 87.9 mt-10 -113.08 165.99 11.84 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 127.005 2.122 . . . . 10.0 111.42 169.612 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1904 ' ' GLY . . . . . . . . . . . . . . . 166.24 -165.38 38.18 Favored Glycine 0 CA--C 1.535 1.287 0 O-C-N 121.766 -0.584 . . . . 10.0 112.759 -178.38 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1905 ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -73.43 -22.65 18.3 Favored 'Trans proline' 0 CA--C 1.538 0.694 0 C-N-CA 121.909 1.74 . . . . 10.0 113.581 178.327 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1906 ' ' SER . . . . . . . . . . . . . 10.1 t -142.13 10.41 1.93 Allowed 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 126.181 1.792 . . . . 10.0 113.657 -168.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1907 ' ' LYS . . . . . . . . . . . . . 37.9 ttmt 37.35 91.19 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 129.949 3.3 . . . . 10.0 115.856 171.131 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1908 ' ' ALA . . . . . . . . . . . . . . . -54.54 147.27 14.46 Favored 'General case' 0 CA--C 1.553 1.084 0 N-CA-C 114.382 1.253 . . . . 10.0 114.382 -175.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1909 ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -83.12 113.99 21.01 Favored 'General case' 0 CA--C 1.536 0.434 0 O-C-N 120.716 -1.24 . . . . 10.0 112.903 -178.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1910 ' ' ILE . . . . . . . . . . . . . 30.1 mm -76.28 135.36 27.02 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.49 0 C-N-CA 125.306 1.442 . . . . 10.0 110.707 -176.286 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1911 ' ' SER . . . . . . . . . . . . . 15.5 t -142.96 167.37 22.22 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 127.221 2.209 . . . . 10.0 110.736 169.533 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1912 ' ' CYS . . . . . . . . . . . . . 28.5 p -151.35 167.21 28.62 Favored 'General case' 0 CA--C 1.541 0.609 0 O-C-N 120.271 -1.518 . . . . 10.0 113.969 -178.337 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1913 ' ' THR . . . . . . . . . . . . . 23.0 m -135.44 157.61 46.45 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 127.422 2.289 . . . . 10.0 110.126 176.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1914 ' ' ASP . . . . . . . . . . . . . 5.2 t0 -57.6 153.65 12.78 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 124.959 1.304 . . . . 10.0 112.146 175.165 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1915 ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -64.43 178.17 0.77 Allowed 'General case' 0 CA--C 1.556 1.187 0 C-N-CA 126.258 1.823 . . . . 10.0 114.163 179.391 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1916 ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -130.45 -54.24 1.09 Allowed 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.568 1.547 . . . . 10.0 112.426 172.629 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1917 ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -134.17 11.55 3.88 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 126.362 1.865 . . . . 10.0 113.733 -178.401 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1918 ' ' GLY . . . . . . . . . . . . . . . 105.47 57.69 0.66 Allowed Glycine 0 CA--C 1.544 1.87 0 C-N-CA 124.752 1.168 . . . . 10.0 112.882 -173.036 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1919 ' ' THR . . . . . . . . . . . . . 6.3 t -146.85 150.03 34.46 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.706 1.202 . . . . 10.0 112.995 175.308 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1920 ' ' CYS . . . . . 0.698 ' H ' ' CG2' ' A' 1888 ' ' VAL . 5.5 t -92.08 94.73 9.38 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 130.515 3.526 . . . . 10.0 110.129 -175.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1921 ' ' SER . . . . . . . . . . . . . 71.0 m -75.2 72.82 2.3 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.082 1.353 . . . . 10.0 112.465 179.299 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1922 ' ' VAL . . . . . . . . . . . . . 79.8 t -80.23 125.36 39.02 Favored 'Isoleucine or valine' 0 C--O 1.247 0.958 0 C-N-CA 126.316 1.846 . . . . 10.0 111.152 177.26 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1923 ' ' SER . . . . . . . . . . . . . 68.5 m -117.24 121.52 41.43 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 125.121 1.369 . . . . 10.0 108.602 169.5 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1924 ' ' TYR . . . . . . . . . . . . . 28.0 p90 -121.04 145.93 47.25 Favored 'General case' 0 CA--C 1.536 0.432 0 O-C-N 121.048 -1.032 . . . . 10.0 111.423 177.179 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1925 ' ' LEU . . . . . . . . . . . . . 1.8 mt -120.62 94.28 48.77 Favored Pre-proline 0 CA--C 1.549 0.927 0 C-N-CA 124.64 1.176 . . . . 10.0 111.701 -173.664 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1926 ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -71.98 133.8 22.26 Favored 'Trans proline' 0 CA--C 1.545 1.072 0 C-N-CA 122.307 2.005 . . . . 10.0 109.563 169.068 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1927 ' ' VAL . . . . . . . . . . . . . 31.4 m -103.52 -17.64 7.06 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 C-N-CA 124.499 1.12 . . . . 10.0 113.532 -173.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1928 ' ' LEU . . . . . . . . . . . . . 1.3 mp -138.23 150.74 67.85 Favored Pre-proline 0 CA--C 1.555 1.15 0 C-N-CA 125.113 1.365 . . . . 10.0 111.421 169.549 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1929 ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -57.08 158.11 18.75 Favored 'Trans proline' 0 N--CA 1.478 0.611 0 C-N-CA 123.047 2.498 . . . . 10.0 113.959 -178.009 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1930 ' ' GLY . . . . . . . . . . . . . . . 166.9 179.08 39.78 Favored Glycine 0 CA--C 1.533 1.187 0 N-CA-C 116.355 1.302 . . . . 10.0 116.355 -176.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1931 ' ' ASP . . . . . . . . . . . . . 10.9 t70 -109.78 68.52 0.67 Allowed 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 127.325 2.25 . . . . 10.0 109.05 179.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1932 ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -68.56 159.51 31.74 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 125.135 1.374 . . . . 10.0 111.952 -170.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1933 ' ' SER . . . . . . . . . . . . . 49.9 m -116.6 135.5 53.75 Favored 'General case' 0 N--CA 1.478 0.949 0 O-C-N 121.223 -0.923 . . . . 10.0 111.302 173.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1934 ' ' ILE . . . . . . . . . . . . . 7.2 mm -95.91 119.38 43.89 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.939 0 C-N-CA 124.061 0.945 . . . . 10.0 108.483 171.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1935 ' ' LEU . . . . . . . . . . . . . 3.2 mm? -110.78 96.3 6.08 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 125.122 1.369 . . . . 10.0 108.847 -178.127 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1936 ' ' VAL . . . . . . . . . . . . . 11.3 t -104.09 140.51 21.99 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 C-N-CA 123.802 0.841 . . . . 10.0 110.082 177.424 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1937 ' ' LYS . . . . . . . . . . . . . 68.3 mttm -131.09 148.32 52.72 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 127.475 2.31 . . . . 10.0 111.172 174.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1938 ' ' TYR . . . . . . . . . . . . . 41.4 t80 -137.74 120.52 16.36 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 125.557 1.543 . . . . 10.0 110.051 168.129 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1939 ' ' ASN . . . . . . . . . . . . . 3.8 t-20 51.6 68.24 0.83 Allowed 'General case' 0 CA--C 1.556 1.21 0 C-N-CA 125.797 1.639 . . . . 10.0 113.886 -179.644 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1940 ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 73.08 -2.06 2.85 Favored 'General case' 0 CA--C 1.558 1.269 0 C-N-CA 128.803 2.841 . . . . 10.0 116.515 170.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1941 ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -141.23 167.61 21.76 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-N 119.408 1.003 . . . . 10.0 113.491 174.096 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1942 ' ' HIS . . . . . . . . . . . . . 87.7 m-70 -64.26 151.9 42.44 Favored 'General case' 0 N--CA 1.481 1.086 0 N-CA-C 114.461 1.282 . . . . 10.0 114.461 -179.016 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1943 ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -67.48 163.85 43.67 Favored Pre-proline 0 CA--C 1.539 0.52 0 C-N-CA 125.706 1.602 . . . . 10.0 113.977 -178.065 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1944 ' ' PRO . . . . . . . . . . . . . 33.9 Cg_exo -58.19 105.12 0.2 Allowed 'Trans proline' 0 CA--C 1.538 0.685 0 C-N-CA 125.108 3.872 . . . . 10.0 111.739 177.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1945 ' ' GLY . . . . . . . . . . . . . . . 91.82 -2.74 76.9 Favored Glycine 0 CA--C 1.538 1.53 0 C-N-CA 125.5 1.524 . . . . 10.0 116.39 -179.075 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1946 ' ' SER . . . . . . . . . . . . . 2.7 m -66.56 161.12 62.36 Favored Pre-proline 0 N--CA 1.481 1.101 0 CA-C-N 120.136 1.968 . . . . 10.0 112.076 170.52 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1947 ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -73.95 172.75 59.91 Favored 'Cis proline' 0 CA--C 1.551 1.329 0 CA-C-N 118.939 0.657 . . . . 10.0 112.779 -9.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1948 ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -120.59 169.74 10.08 Favored 'General case' 0 CA--C 1.556 1.194 0 C-N-CA 126.139 1.776 . . . . 10.0 111.114 173.468 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1949 ' ' THR . . . . . . . . . . . . . 17.6 m -137.8 99.39 3.9 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.668 1.187 . . . . 10.0 112.044 -173.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1950 ' ' ALA . . . . . . . . . . . . . . . -91.28 107.28 19.09 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 126.16 1.784 . . . . 10.0 113.298 -174.37 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1951 ' ' ARG . . . . . . . . . . . . . 35.7 ttm180 -90.31 94.99 9.97 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 122.873 1.32 . . . . 10.0 114.345 -179.088 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1952 ' ' VAL . . . . . . . . . . . . . 42.1 t -58.83 114.21 0.8 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 C-N-CA 129.449 3.099 . . . . 10.0 112.193 169.479 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1953 ' ' THR . . . . . . . . . . . . . 6.2 t -67.09 -37.4 83.88 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 114.476 1.287 . . . . 10.0 114.476 -169.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1954 ' ' GLY . . . . . . . . . . . . . . . 67.33 78.72 0.25 Allowed Glycine 0 CA--C 1.534 1.23 0 C-N-CA 124.664 1.126 . . . . 10.0 113.68 -177.214 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1955 ' ' ASP . . . . . . . . . . . . . 31.3 t70 -67.04 -26.05 66.56 Favored 'General case' 0 CA--C 1.555 1.163 0 N-CA-C 114.574 1.324 . . . . 10.0 114.574 178.664 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1956 ' ' ASP . . . . . . . . . . . . . 20.4 t70 . . . . . 0 N--CA 1.488 1.445 0 C-N-CA 130.551 3.541 . . . . 10.0 116.679 179.438 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A 1868 ' ' VAL . . . . . . . . . . . . . 10.8 p . . . . . 0 N--CA 1.482 1.134 0 N-CA-C 112.941 0.719 . . . . 10.0 112.941 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A 1869 ' ' THR . . . . . . . . . . . . . 43.5 p -142.05 165.16 28.22 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 125.877 1.671 . . . . 10.0 112.122 179.15 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1870 ' ' ALA . . . . . . . . . . . . . . . -134.38 130.05 36.31 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.669 1.588 . . . . 10.0 110.515 172.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1871 ' ' TYR . . . . . . . . . . . . . 40.8 p90 -156.86 173.14 17.43 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 124.682 1.193 . . . . 10.0 111.728 -172.147 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1872 ' ' GLY . . . . . . . . . . . . . . . 117.54 167.63 14.34 Favored Glycine 0 CA--C 1.551 2.317 0 C-N-CA 125.179 1.371 . . . . 10.0 114.167 175.156 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1873 ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -68.22 -27.97 34.37 Favored 'Trans proline' 0 N--CA 1.455 -0.748 0 C-N-CA 122.03 1.82 . . . . 10.0 112.548 -175.434 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1874 ' ' GLY . . . . . . . . . . . . . . . -65.6 -3.68 15.56 Favored Glycine 0 CA--C 1.539 1.571 0 CA-C-O 118.131 -1.372 . . . . 10.0 116.372 178.149 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1875 ' ' LEU . . . . . . . . . . . . . 61.0 mt -93.99 -10.76 32.56 Favored 'General case' 0 CA--C 1.552 1.037 0 CA-C-N 120.481 2.141 . . . . 10.0 113.399 169.033 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1876 ' ' THR . . . . . . . . . . . . . 80.8 p -135.51 -15.55 1.87 Allowed 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 125.092 1.357 . . . . 10.0 114.006 -171.331 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1877 ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -145.13 -179.29 6.53 Favored 'General case' 0 CA--C 1.555 1.146 0 C-N-CA 128.286 2.635 . . . . 10.0 112.073 177.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1878 ' ' GLY . . . . . . . . . . . . . . . -173.85 175.09 46.45 Favored Glycine 0 N--CA 1.483 1.784 0 O-C-N 120.471 -1.393 . . . . 10.0 113.315 178.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1879 ' ' VAL . . . . . . . . . . . . . 19.6 t -133.79 108.56 11.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 125.398 1.479 . . . . 10.0 109.957 176.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1880 ' ' VAL . . . . . . . . . . . . . 94.1 t -61.25 134.6 26.59 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.285 0 O-C-N 120.674 -1.266 . . . . 10.0 110.848 177.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1881 ' ' ASN . . . . . . . . . . . . . 87.1 m-20 67.14 8.62 6.32 Favored 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 127.391 2.277 . . . . 10.0 116.722 -176.443 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1882 ' ' LYS . . . . . . . . . . . . . 1.7 tttp -124.14 147.06 53.38 Favored Pre-proline 0 N--CA 1.482 1.141 0 CA-C-N 119.116 0.871 . . . . 10.0 111.608 168.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1883 ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -51.43 112.44 0.81 Allowed 'Trans proline' 0 C--N 1.357 1.016 0 C-N-CA 124.107 3.205 . . . . 10.0 112.859 172.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1884 ' ' ALA . . . . . . . . . . . . . . . -94.92 153.67 17.57 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.47 1.108 . . . . 10.0 109.869 174.458 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1885 ' ' THR . . . . . . . . . . . . . 57.5 p -148.66 151.52 35.09 Favored 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 114.061 1.134 . . . . 10.0 114.061 -173.362 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1886 ' ' PHE . . . . . . . . . . . . . 22.9 p90 -143.44 162.66 35.22 Favored 'General case' 0 C--O 1.244 0.783 0 C-N-CA 125.161 1.384 . . . . 10.0 109.917 166.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1887 ' ' THR . . . . . . . . . . . . . 48.0 m -112.88 133.03 55.05 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.091 0.956 . . . . 10.0 110.131 -169.638 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1888 ' ' VAL . . . . . . . . . . . . . 5.2 m -127.71 143.87 39.35 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 C-N-CA 125.8 1.64 . . . . 10.0 108.153 167.645 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1889 ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -136.61 95.56 3.17 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 126.179 1.792 . . . . 10.0 110.797 -166.666 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 40.9 p -94.37 20.0 8.83 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 128.617 2.767 . . . . 10.0 113.854 -173.218 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1891 ' ' LYS . . . . . . . . . . . . . 22.5 pttm -31.74 -49.26 0.17 Allowed 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 130.234 3.413 . . . . 10.0 116.348 -177.266 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 37.7 t70 -118.13 5.05 11.98 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 125.783 1.633 . . . . 10.0 112.376 -177.48 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1893 ' ' ALA . . . . . . . . . . . . . . . -87.13 14.04 8.35 Favored 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 128.852 2.861 . . . . 10.0 114.757 -169.321 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 1.794 0 C-N-CA 126.807 2.146 . . . . 10.0 113.286 -177.513 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A 1898 ' ' LEU . . . . . . . . . . . . . 3.2 tm? . . . . . 0 N--CA 1.469 0.511 0 N-CA-C 109.445 -0.576 . . . . 10.0 109.445 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A 1899 ' ' SER . . . . . . . . . . . . . 21.4 t -149.1 148.63 29.91 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 125.329 1.452 . . . . 10.0 111.287 176.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1900 ' ' LEU . . . . . . . . . . . . . 1.7 pp -154.65 171.68 19.1 Favored 'General case' 0 C--O 1.237 0.415 0 N-CA-C 115.745 1.757 . . . . 10.0 115.745 -178.414 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1901 ' ' ALA . . . . . . . . . . . . . . . -154.04 173.97 15.3 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.794 1.238 . . . . 10.0 111.843 168.55 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1902 ' ' ILE . . . . . . . . . . . . . 1.3 mp -123.0 145.99 29.01 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.871 0 C-N-CA 126.672 1.989 . . . . 10.0 110.689 175.524 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1903 ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -124.19 168.97 12.2 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 126.164 1.786 . . . . 10.0 110.048 170.502 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1904 ' ' GLY . . . . . . . . . . . . . . . 167.03 -163.0 36.79 Favored Glycine 0 CA--C 1.539 1.534 0 C-N-CA 123.863 0.744 . . . . 10.0 112.72 -178.558 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1905 ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -70.09 -17.59 36.0 Favored 'Trans proline' 0 C--N 1.355 0.9 0 C-N-CA 123.887 3.058 . . . . 10.0 112.787 172.143 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1906 ' ' SER . . . . . . . . . . . . . 9.1 t -151.36 170.93 18.36 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 128.992 2.917 . . . . 10.0 109.48 -168.609 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1907 ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -91.22 173.24 8.03 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.719 1.208 . . . . 10.0 111.97 175.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1908 ' ' ALA . . . . . . . . . . . . . . . -140.31 155.2 46.91 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.902 1.281 . . . . 10.0 110.932 171.185 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1909 ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -86.06 83.48 7.75 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.424 1.49 . . . . 10.0 111.855 -176.489 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1910 ' ' ILE . . . . . . . . . . . . . 11.6 mm -68.4 133.21 32.11 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 C-N-CA 124.636 1.174 . . . . 10.0 111.822 -173.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1911 ' ' SER . . . . . . . . . . . . . 16.0 t -146.88 97.42 2.9 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 126.409 1.884 . . . . 10.0 112.017 171.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1912 ' ' CYS . . . . . . . . . . . . . 26.4 p -69.82 149.27 48.08 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-O 121.676 0.75 . . . . 10.0 112.171 170.579 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1913 ' ' THR . . . . . . . . . . . . . 44.2 m -78.87 154.42 29.79 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.718 1.207 . . . . 10.0 112.459 168.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1914 ' ' ASP . . . . . . . . . . . . . 21.4 t0 -135.75 93.2 2.91 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.64 1.576 . . . . 10.0 110.895 170.437 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1915 ' ' ASN . . . . . . . . . . . . . 61.2 t-20 -123.7 133.68 53.84 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 125.455 1.502 . . . . 10.0 110.832 -170.615 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1916 ' ' GLN . . . . . . . . . . . . . 27.3 mp0 -60.69 -8.48 2.97 Favored 'General case' 0 CA--C 1.553 1.075 0 C-N-CA 126.093 1.757 . . . . 10.0 113.974 174.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1917 ' ' ASP . . . . . . . . . . . . . 32.9 t70 -80.31 -11.56 59.7 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 126.069 1.747 . . . . 10.0 112.723 176.617 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1918 ' ' GLY . . . . . . . . . . . . . . . 90.67 53.84 2.19 Favored Glycine 0 C--N 1.339 0.727 0 C-N-CA 125.544 1.545 . . . . 10.0 113.603 177.617 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1919 ' ' THR . . . . . . . . . . . . . 71.6 p -136.74 155.61 49.61 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 124.523 1.129 . . . . 10.0 111.044 174.302 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1920 ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -123.39 4.52 9.07 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 124.624 1.169 . . . . 10.0 113.086 175.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1921 ' ' SER . . . . . . . . . . . . . 60.3 m -8.33 99.56 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 130.067 3.347 . . . . 10.0 116.207 -179.666 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1922 ' ' VAL . . . . . . . . . . . . . 59.5 t -80.05 106.12 10.67 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.675 0 C-N-CA 125.626 1.57 . . . . 10.0 111.651 -176.468 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1923 ' ' SER . . . . . . . . . . . . . 68.1 m -89.4 144.03 26.37 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 124.344 1.057 . . . . 10.0 108.607 165.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1924 ' ' TYR . . . . . . . . . . . . . 24.4 p90 -148.43 165.62 30.59 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.763 1.625 . . . . 10.0 109.889 173.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1925 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -136.19 93.18 15.18 Favored Pre-proline 0 N--CA 1.479 0.982 0 O-C-N 120.909 -1.119 . . . . 10.0 109.667 -176.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1926 ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -72.18 139.35 32.26 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 122.496 2.131 . . . . 10.0 109.757 178.211 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1927 ' ' VAL . . . . . . . . . . . . . 28.7 m -112.64 -7.62 11.94 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 C-N-CA 124.675 1.19 . . . . 10.0 113.59 -174.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1928 ' ' LEU . . . . . . . . . . . . . 3.8 tt -146.12 135.13 11.19 Favored Pre-proline 0 CA--C 1.549 0.938 0 C-N-CA 125.093 1.357 . . . . 10.0 110.124 -177.487 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1929 ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo -51.56 132.18 39.75 Favored 'Trans proline' 0 N--CA 1.491 1.341 0 C-N-CA 123.912 3.075 . . . . 10.0 114.459 175.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1930 ' ' GLY . . . . . . . . . . . . . . . -172.57 173.63 45.45 Favored Glycine 0 CA--C 1.528 0.873 0 N-CA-C 116.435 1.334 . . . . 10.0 116.435 -174.651 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1931 ' ' ASP . . . . . . . . . . . . . 33.7 m-20 -104.91 61.75 0.7 Allowed 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 127.071 2.148 . . . . 10.0 110.474 178.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1932 ' ' TYR . . . . . . . . . . . . . 56.0 m-85 -63.2 115.46 4.53 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.287 1.035 . . . . 10.0 113.628 -168.622 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1933 ' ' SER . . . . . . . . . . . . . 66.4 m -74.02 145.84 44.22 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-O 121.376 0.608 . . . . 10.0 110.826 172.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1934 ' ' ILE . . . . . . . . . . . . . 3.9 mm -114.94 124.46 71.62 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 C-N-CA 126.562 1.945 . . . . 10.0 109.666 175.442 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1935 ' ' LEU . . . . . . . . . . . . . 2.8 mm? -117.36 95.35 4.93 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 125.185 1.394 . . . . 10.0 109.837 -173.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1936 ' ' VAL . . . . . . . . . . . . . 15.9 t -105.84 138.73 29.73 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 O-C-N 120.895 -1.128 . . . . 10.0 109.79 -177.097 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1937 ' ' LYS . . . . . . . . . . . . . 98.3 mttt -129.39 151.65 49.79 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.873 1.669 . . . . 10.0 111.185 174.006 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1938 ' ' TYR . . . . . . . . . . . . . 80.3 t80 -137.22 103.41 5.1 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 108.246 -1.02 . . . . 10.0 108.246 171.25 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1939 ' ' ASN . . . . . . . . . . . . . 1.2 t30 59.52 73.87 0.46 Allowed 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 127.608 2.363 . . . . 10.0 113.013 -169.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1940 ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 58.03 -9.25 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.747 0 C-N-CA 129.939 3.295 . . . . 10.0 117.815 175.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1941 ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -111.33 145.32 39.04 Favored 'General case' 0 C--O 1.238 0.461 0 C-N-CA 126.022 1.729 . . . . 10.0 110.202 177.18 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1942 ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -62.03 148.75 43.03 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-O 121.772 0.796 . . . . 10.0 113.147 175.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1943 ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.82 166.39 15.7 Favored Pre-proline 0 CA--C 1.549 0.912 0 C-N-CA 126.41 1.884 . . . . 10.0 113.106 -174.54 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1944 ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -58.52 1.54 0.26 Allowed 'Trans proline' 0 CA--C 1.55 1.323 1 C-N-CA 126.84 5.027 . . . . 10.0 118.046 -172.864 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1945 ' ' GLY . . . . . . . . . . . . . . . -148.82 2.97 0.67 Allowed Glycine 0 CA--C 1.539 1.584 0 C-N-CA 126.779 2.133 . . . . 10.0 115.47 176.603 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1946 ' ' SER . . . . . . . . . . . . . 1.5 m -76.35 162.32 71.53 Favored Pre-proline 0 N--CA 1.482 1.148 0 CA-C-N 120.282 2.041 . . . . 10.0 112.52 -175.485 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1947 ' ' PRO . . . . . . . . . . . . . 64.8 Cg_endo -73.03 172.57 59.58 Favored 'Cis proline' 0 CA--C 1.537 0.64 0 CA-C-O 121.515 0.548 . . . . 10.0 112.775 -10.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1948 ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -120.89 168.59 11.31 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.369 1.468 . . . . 10.0 111.328 173.317 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1949 ' ' THR . . . . . . . . . . . . . 24.6 m -142.44 99.08 3.42 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 124.73 1.212 . . . . 10.0 110.293 -179.266 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1950 ' ' ALA . . . . . . . . . . . . . . . -70.72 163.72 26.57 Favored 'General case' 0 N--CA 1.446 -0.631 0 C-N-CA 125.485 1.514 . . . . 10.0 113.077 175.063 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1951 ' ' ARG . . . . . . . . . . . . . 19.6 ttm180 -134.0 78.49 1.76 Allowed 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 126.124 1.77 . . . . 10.0 110.347 178.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1952 ' ' VAL . . . . . . . . . . . . . 3.0 t -66.23 97.74 0.27 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.543 0 C-N-CA 127.245 2.218 . . . . 10.0 111.559 177.178 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1953 ' ' THR . . . . . . . . . . . . . 35.2 p -70.51 129.49 39.38 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.011 0.924 . . . . 10.0 111.819 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1954 ' ' GLY . . . . . . . . . . . . . . . -85.67 179.51 50.23 Favored Glycine 0 CA--C 1.534 1.272 0 C-N-CA 126.549 2.023 . . . . 10.0 113.622 177.572 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1955 ' ' ASP . . . . . . . . . . . . . 33.0 t70 -124.15 -29.14 3.62 Favored 'General case' 0 CA--C 1.558 1.257 0 C-N-CA 125.278 1.431 . . . . 10.0 113.609 175.438 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1956 ' ' ASP . . . . . . . . . . . . . 28.9 t70 . . . . . 0 C--O 1.258 1.552 0 C-N-CA 124.527 1.131 . . . . 10.0 112.898 177.374 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.888 0 N-CA-C 112.15 -0.38 . . . . 10.0 112.15 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' -3' ' ' ALA . . . . . . . . . . . . . . . -82.62 172.19 13.22 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.533 1.533 . . . . 10.0 113.294 175.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 24.5 mmt -122.04 163.48 19.33 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 127.46 2.304 . . . . 10.0 109.852 171.043 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -1' ' ' VAL . . . . . . . . . . . . . 10.3 p -58.91 -23.28 23.52 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.161 0 C-N-CA 125.298 1.439 . . . . 10.0 114.319 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1863 ' ' VAL . . . . . . . . . . . . . 35.0 m -80.39 -9.38 12.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 C-N-CA 125.713 1.605 . . . . 10.0 115.098 -178.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1864 ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -128.25 14.75 6.7 Favored 'General case' 0 N--CA 1.482 1.165 0 N-CA-C 115.862 1.801 . . . . 10.0 115.862 -173.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1865 ' ' CYS . . . . . . . . . . . . . 79.3 m -56.07 154.66 7.37 Favored 'General case' 0 CA--C 1.557 1.221 0 C-N-CA 124.822 1.249 . . . . 10.0 113.663 -177.437 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1866 ' ' GLY . . . . . . . . . . . . . . . -66.87 176.29 21.48 Favored Glycine 0 N--CA 1.475 1.278 0 C-N-CA 126.86 2.172 . . . . 10.0 116.714 -175.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1867 ' ' HIS . . . . . . . . . . . . . 26.0 m170 -71.35 -25.59 62.45 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 125.158 1.383 . . . . 10.0 113.007 -175.242 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1868 ' ' VAL . . . . . . . . . . . . . 14.7 p -151.9 132.12 4.0 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 C-N-CA 126.788 2.035 . . . . 10.0 109.839 -178.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1869 ' ' THR . . . . . . . . . . . . . 20.6 m -137.72 155.3 49.23 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 125.73 1.612 . . . . 10.0 110.539 -170.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1870 ' ' ALA . . . . . . . . . . . . . . . -131.63 127.55 37.26 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 126.238 1.815 . . . . 10.0 110.108 169.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1871 ' ' TYR . . . . . . . . . . . . . 42.5 p90 -148.89 162.57 39.59 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.974 1.31 . . . . 10.0 113.186 -175.294 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1872 ' ' GLY . . . . . . . . . . . . . . . 123.48 169.42 13.21 Favored Glycine 0 CA--C 1.54 1.646 0 C-N-CA 124.545 1.069 . . . . 10.0 114.055 178.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1873 ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.52 -24.01 31.24 Favored 'Trans proline' 0 C--N 1.358 1.047 0 C-N-CA 122.818 2.345 . . . . 10.0 113.592 -177.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1874 ' ' GLY . . . . . . . . . . . . . . . -70.32 -3.32 46.08 Favored Glycine 0 CA--C 1.533 1.189 0 CA-C-O 118.291 -1.283 . . . . 10.0 115.762 178.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1875 ' ' LEU . . . . . . . . . . . . . 89.2 mt -89.19 -15.9 32.61 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 119.142 1.471 . . . . 10.0 113.273 168.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1876 ' ' THR . . . . . . . . . . . . . 8.9 t -128.74 -23.57 3.1 Favored 'General case' 0 N--CA 1.484 1.26 0 N-CA-C 115.054 1.501 . . . . 10.0 115.054 -167.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1877 ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -140.83 168.46 19.74 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 125.754 1.622 . . . . 10.0 111.038 177.179 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1878 ' ' GLY . . . . . . . . . . . . . . . -152.03 170.45 31.39 Favored Glycine 0 N--CA 1.478 1.437 0 C-N-CA 124.776 1.179 . . . . 10.0 114.182 178.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1879 ' ' VAL . . . . . . . . . . . . . 40.8 t -135.1 114.25 16.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 125.044 1.337 . . . . 10.0 109.016 174.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1880 ' ' VAL . . . . . . . . . . . . . 91.1 t -60.35 134.52 25.62 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.519 0 C-N-CA 123.927 0.891 . . . . 10.0 111.265 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1881 ' ' ASN . . . . . . . . . . . . . 87.2 m-20 64.95 4.84 2.63 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 128.314 2.646 . . . . 10.0 116.691 -178.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1882 ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -122.18 139.52 30.72 Favored Pre-proline 0 CA--C 1.545 0.769 0 CA-C-N 121.422 1.919 . . . . 10.0 111.077 170.337 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1883 ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -52.85 122.12 10.47 Favored 'Trans proline' 0 CA--C 1.536 0.606 0 C-N-CA 123.635 2.89 . . . . 10.0 113.419 -171.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1884 ' ' ALA . . . . . . . . . . . . . . . -93.0 138.71 31.24 Favored 'General case' 0 C--O 1.241 0.619 0 C-N-CA 124.465 1.106 . . . . 10.0 109.371 173.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1885 ' ' THR . . . . . . . . . . . . . 33.9 p -143.38 151.43 40.41 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 113.295 0.85 . . . . 10.0 113.295 -174.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1886 ' ' PHE . . . . . . . . . . . . . 44.8 p90 -149.92 169.16 21.79 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.072 1.349 . . . . 10.0 111.062 167.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1887 ' ' THR . . . . . . . . . . . . . 79.6 m -110.46 139.79 45.34 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.433 1.093 . . . . 10.0 111.424 -173.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1888 ' ' VAL . . . . . . . . . . . . . 3.9 m -124.87 152.1 30.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 125.664 1.585 . . . . 10.0 109.189 168.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1889 ' ' ASN . . . . . . . . . . . . . 45.2 t30 -147.27 101.09 3.35 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 125.655 1.582 . . . . 10.0 111.943 -169.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1890 ' ' THR . . . . . . . . . . . . . 24.3 p -79.29 34.72 0.26 Allowed 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 126.171 1.788 . . . . 10.0 113.569 179.065 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1891 ' ' LYS . . . . . . . . . . . . . 12.1 ptmm? -37.97 -39.35 0.38 Allowed 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 128.945 2.898 . . . . 10.0 117.439 -171.247 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -124.63 -12.48 7.17 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 124.686 1.194 . . . . 10.0 113.954 171.145 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1893 ' ' ALA . . . . . . . . . . . . . . . -63.67 -37.22 86.53 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 125.762 1.625 . . . . 10.0 115.333 171.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . 149.37 -162.17 28.96 Favored Glycine 0 CA--C 1.538 1.515 0 CA-C-N 119.147 0.885 . . . . 10.0 114.409 -178.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1895 ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -79.02 -6.66 56.9 Favored 'General case' 0 CA--C 1.557 1.233 0 C-N-CA 125.126 1.37 . . . . 10.0 114.37 175.034 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1896 ' ' GLY . . . . . . . . . . . . . . . 155.08 -147.97 17.69 Favored Glycine 0 CA--C 1.55 2.271 0 C-N-CA 125.273 1.416 . . . . 10.0 111.872 -173.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1897 ' ' GLY . . . . . . . . . . . . . . . 95.98 -9.48 68.03 Favored Glycine 0 CA--C 1.55 2.245 0 C-N-CA 125.288 1.423 . . . . 10.0 115.709 169.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1898 ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -70.33 167.5 17.95 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 118.46 1.13 . . . . 10.0 111.339 170.211 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1899 ' ' SER . . . . . . . . . . . . . 9.4 t -146.48 160.78 41.66 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 120.821 -1.174 . . . . 10.0 112.827 -177.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1900 ' ' LEU . . . . . . . . . . . . . 73.3 mt -129.72 163.75 25.48 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.638 1.175 . . . . 10.0 114.152 179.225 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1901 ' ' ALA . . . . . . . . . . . . . . . -145.72 145.28 30.8 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 126.202 1.801 . . . . 10.0 107.755 165.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1902 ' ' ILE . . . . . . . . . . . . . 1.1 mp -124.43 132.4 71.4 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 124.842 1.257 . . . . 10.0 109.363 179.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1903 ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 -118.09 172.49 7.38 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 127.252 2.221 . . . . 10.0 111.269 177.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1904 ' ' GLY . . . . . . . . . . . . . . . 155.58 -162.81 31.35 Favored Glycine 0 CA--C 1.546 1.99 0 C-N-CA 125.412 1.482 . . . . 10.0 112.409 -175.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1905 ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -71.11 -17.95 31.16 Favored 'Trans proline' 0 CA--C 1.545 1.029 0 C-N-CA 123.565 2.844 . . . . 10.0 112.907 169.028 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1906 ' ' SER . . . . . . . . . . . . . 13.8 t -149.68 171.65 16.34 Favored 'General case' 0 C--O 1.243 0.732 0 C-N-CA 128.834 2.854 . . . . 10.0 109.478 -167.096 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1907 ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -116.33 173.84 6.38 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.268 1.427 . . . . 10.0 112.22 -170.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1908 ' ' ALA . . . . . . . . . . . . . . . -144.23 171.55 14.15 Favored 'General case' 0 CA--C 1.56 1.351 0 C-N-CA 126.591 1.957 . . . . 10.0 112.434 178.013 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1909 ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -96.12 -6.43 38.49 Favored 'General case' 0 N--CA 1.484 1.266 0 N-CA-C 116.016 1.858 . . . . 10.0 116.016 -170.035 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1910 ' ' ILE . . . . . . . . . . . . . 4.0 mt 25.29 72.21 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 131.371 3.869 . . . . 10.0 113.073 -176.336 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1911 ' ' SER . . . . . . . . . . . . . 6.0 t -81.18 170.18 16.45 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.308 1.443 . . . . 10.0 111.865 171.025 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1912 ' ' CYS . . . . . . . . . . . . . 30.3 p -149.27 172.96 14.03 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 113.391 0.886 . . . . 10.0 113.391 171.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1913 ' ' THR . . . . . . . . . . . . . 24.3 m -139.02 133.97 32.38 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 125.706 1.602 . . . . 10.0 110.905 178.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1914 ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -70.51 -42.51 71.21 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.526 1.13 . . . . 10.0 113.856 -175.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1915 ' ' ASN . . . . . . . . . . . . . 67.9 m-80 49.89 -165.65 0.03 OUTLIER 'General case' 0 CA--C 1.554 1.119 0 C-N-CA 127.72 2.408 . . . . 10.0 112.951 -169.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1916 ' ' GLN . . . . . . . . . . . . . 19.4 tt0 -120.64 9.24 10.76 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 126.952 2.101 . . . . 10.0 111.305 170.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1917 ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -100.57 -2.9 31.72 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 125.855 1.662 . . . . 10.0 113.932 -173.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1918 ' ' GLY . . . . . . . . . . . . . . . 91.3 -3.42 79.66 Favored Glycine 0 CA--C 1.538 1.509 0 C-N-CA 124.925 1.25 . . . . 10.0 115.989 173.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1919 ' ' THR . . . . . . . . . . . . . 70.0 p -75.89 169.71 17.62 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.813 1.245 . . . . 10.0 111.997 177.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1920 ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -115.54 41.26 2.54 Favored 'General case' 0 CA--C 1.551 0.982 0 O-C-N 121.492 -0.755 . . . . 10.0 109.856 168.224 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1921 ' ' SER . . . . . . . . . . . . . 10.6 t -33.91 115.06 0.22 Allowed 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 128.177 2.591 . . . . 10.0 114.561 -167.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1922 ' ' VAL . . . . . . . . . . . . . 86.1 t -96.31 137.12 25.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 123.568 0.747 . . . . 10.0 110.931 -173.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1923 ' ' SER . . . . . . . . . . . . . 72.7 m -135.33 119.19 17.3 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 125.396 1.478 . . . . 10.0 111.359 178.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1924 ' ' TYR . . . . . . . . . . . . . 16.4 p90 -132.34 174.87 9.79 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.998 1.319 . . . . 10.0 110.441 179.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1925 ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -140.98 97.45 7.06 Favored Pre-proline 0 CA--C 1.551 0.981 0 O-C-N 120.409 -1.432 . . . . 10.0 111.218 -174.796 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1926 ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -70.45 122.09 8.6 Favored 'Trans proline' 0 C--N 1.356 0.924 0 C-N-CA 122.221 1.947 . . . . 10.0 111.355 169.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1927 ' ' VAL . . . . . . . . . . . . . 28.8 m -106.02 0.18 10.07 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.247 0 C-N-CA 125.553 1.541 . . . . 10.0 114.308 -175.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1928 ' ' LEU . . . . . . . . . . . . . 4.8 tt -149.6 135.01 9.76 Favored Pre-proline 0 CA--C 1.563 1.475 0 C-N-CA 125.845 1.658 . . . . 10.0 109.607 175.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1929 ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -57.8 138.43 86.03 Favored 'Trans proline' 0 CA--C 1.546 1.097 0 C-N-CA 123.255 2.637 . . . . 10.0 113.975 -177.256 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1930 ' ' GLY . . . . . . . . . . . . . . . 175.08 -178.16 46.88 Favored Glycine 0 N--CA 1.477 1.386 0 N-CA-C 117.643 1.817 . . . . 10.0 117.643 -175.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1931 ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -99.1 82.18 2.69 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 126.115 1.766 . . . . 10.0 109.651 178.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1932 ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -80.07 101.73 8.9 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.834 1.254 . . . . 10.0 111.027 -170.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1933 ' ' SER . . . . . . . . . . . . . 73.5 m -79.66 110.47 15.02 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 124.065 0.946 . . . . 10.0 112.213 -176.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1934 ' ' ILE . . . . . . . . . . . . . 1.2 mp -76.83 129.24 37.53 Favored 'Isoleucine or valine' 0 C--O 1.243 0.713 0 C-N-CA 124.882 1.273 . . . . 10.0 109.294 170.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1935 ' ' LEU . . . . . . . . . . . . . 3.0 mm? -106.64 100.86 10.35 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 126.887 2.075 . . . . 10.0 108.039 167.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1936 ' ' VAL . . . . . . . . . . . . . 15.6 t -87.2 129.18 39.07 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.405 0 CA-C-N 119.847 1.203 . . . . 10.0 110.159 172.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1937 ' ' LYS . . . . . . . . . . . . . 73.9 mttt -119.47 144.62 46.88 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.711 1.204 . . . . 10.0 111.681 169.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1938 ' ' TYR . . . . . . . . . . . . . 71.1 t80 -127.88 118.0 22.84 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 125.296 1.439 . . . . 10.0 108.313 169.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1939 ' ' ASN . . . . . . . . . . . . . 43.3 t30 44.77 71.89 0.23 Allowed 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 126.305 1.842 . . . . 10.0 114.039 -172.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1940 ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 68.15 -9.12 0.51 Allowed 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 128.516 2.726 . . . . 10.0 116.293 172.087 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1941 ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -127.39 159.72 33.61 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.331 1.452 . . . . 10.0 112.504 179.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1942 ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -72.65 155.21 40.24 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 113.853 1.057 . . . . 10.0 113.853 -173.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1943 ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -73.47 163.94 64.74 Favored Pre-proline 0 CA--C 1.542 0.651 0 C-N-CA 125.499 1.519 . . . . 10.0 113.205 179.221 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1944 ' ' PRO . . . . . . . . . . . . . 47.8 Cg_exo -64.62 -20.21 65.31 Favored 'Trans proline' 0 CA--C 1.55 1.281 0 C-N-CA 124.411 3.407 . . . . 10.0 115.918 -170.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1945 ' ' GLY . . . . . . . . . . . . . . . -114.15 -1.88 23.54 Favored Glycine 0 CA--C 1.541 1.667 0 C-N-CA 126.851 2.167 . . . . 10.0 114.641 -178.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1946 ' ' SER . . . . . . . . . . . . . 5.9 m -69.45 155.33 93.73 Favored Pre-proline 0 CA--C 1.545 0.774 0 CA-C-N 118.485 1.143 . . . . 10.0 112.349 178.068 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1947 ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -72.24 172.58 57.02 Favored 'Cis proline' 0 CA--C 1.548 1.178 0 CA-C-N 119.998 1.035 . . . . 10.0 112.848 -11.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1948 ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -120.63 165.64 14.76 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.726 1.61 . . . . 10.0 109.236 167.085 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1949 ' ' THR . . . . . . . . . . . . . 8.8 m -142.23 98.51 3.33 Favored 'General case' 0 N--CA 1.479 1.023 0 O-C-N 121.2 -0.938 . . . . 10.0 110.93 -175.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1950 ' ' ALA . . . . . . . . . . . . . . . -74.99 103.84 5.34 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.363 1.065 . . . . 10.0 111.672 174.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1951 ' ' ARG . . . . . . . . . . . . . 65.7 ttt-85 -79.85 91.28 5.34 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-O 123.074 1.416 . . . . 10.0 111.055 175.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1952 ' ' VAL . . . . . . . . . . . . . 2.4 t -68.1 115.54 6.5 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 128.18 2.592 . . . . 10.0 112.575 174.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1953 ' ' THR . . . . . . . . . . . . . 5.7 t -93.46 151.28 19.83 Favored 'General case' 0 C--O 1.243 0.753 0 C-N-CA 124.351 1.06 . . . . 10.0 111.53 171.233 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1954 ' ' GLY . . . . . . . . . . . . . . . -105.62 167.95 15.01 Favored Glycine 0 CA--C 1.535 1.297 0 CA-C-O 122.399 1.0 . . . . 10.0 114.48 -176.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1955 ' ' ASP . . . . . . . . . . . . . 37.4 t70 -129.36 -12.79 4.46 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 126.278 1.831 . . . . 10.0 113.977 -173.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1956 ' ' ASP . . . . . . . . . . . . . 33.8 t70 . . . . . 0 C--O 1.252 1.184 0 C-N-CA 126.614 1.966 . . . . 10.0 113.067 -178.187 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.462 0 N-CA-C 111.916 -0.474 . . . . 10.0 111.916 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' -3' ' ' ALA . . . . . . . . . . . . . . . -130.19 -32.09 1.83 Allowed 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 115.248 1.573 . . . . 10.0 115.248 -176.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 9.0 tpt -149.9 112.93 4.86 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 124.884 1.274 . . . . 10.0 112.304 -176.219 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -1' ' ' VAL . . . . . . . . . . . . . 29.0 m -71.46 -25.34 24.74 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.233 0 N-CA-C 115.052 1.501 . . . . 10.0 115.052 -173.024 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1863 ' ' VAL . . . . . . . . . . . . . 47.3 t -70.06 -41.3 79.15 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 C-N-CA 123.971 0.908 . . . . 10.0 111.381 -175.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1864 ' ' ASN . . . . . . . . . . . . . 4.7 t-20 63.94 -27.08 0.08 Allowed 'General case' 0 CA--C 1.563 1.451 0 C-N-CA 129.507 3.123 . . . . 10.0 117.234 172.276 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1865 ' ' CYS . . . . . . . . . . . . . 29.3 p -103.87 -6.98 20.83 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 126.123 1.769 . . . . 10.0 115.456 -172.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1866 ' ' GLY . . . . . . . . . . . . . . . -88.9 4.62 84.89 Favored Glycine 0 N--CA 1.484 1.871 0 C-N-CA 125.56 1.553 . . . . 10.0 114.683 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1867 ' ' HIS . . . . . . . . . . . . . 46.0 t60 -61.04 -48.92 79.53 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 125.784 1.634 . . . . 10.0 113.904 -170.186 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1868 ' ' VAL . . . . . . . . . . . . . 9.2 p -132.3 125.45 54.01 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 125.278 1.431 . . . . 10.0 109.383 173.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1869 ' ' THR . . . . . . . . . . . . . 73.1 p -139.9 -173.76 3.73 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 125.721 1.608 . . . . 10.0 109.557 -172.009 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1870 ' ' ALA . . . . . . . . . . . . . . . -133.22 127.35 33.55 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 125.367 1.467 . . . . 10.0 110.916 169.309 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1871 ' ' TYR . . . . . . . . . . . . . 47.4 p90 -147.63 160.48 42.62 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.483 1.113 . . . . 10.0 111.64 179.407 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1872 ' ' GLY . . . . . . . . . . . . . . . 131.18 169.65 12.47 Favored Glycine 0 CA--C 1.545 1.928 0 C-N-CA 125.718 1.628 . . . . 10.0 113.1 176.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1873 ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -74.42 -19.58 19.23 Favored 'Trans proline' 0 CA--C 1.546 1.101 0 C-N-CA 123.396 2.731 . . . . 10.0 113.804 -170.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1874 ' ' GLY . . . . . . . . . . . . . . . -73.68 -12.49 80.62 Favored Glycine 0 CA--C 1.531 1.032 0 CA-C-O 118.341 -1.255 . . . . 10.0 114.441 173.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1875 ' ' LEU . . . . . . . . . . . . . 44.7 mt -86.26 -9.4 56.55 Favored 'General case' 0 C--N 1.352 0.688 0 CA-C-N 119.298 1.549 . . . . 10.0 113.063 171.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1876 ' ' THR . . . . . . . . . . . . . 70.2 p -118.63 -29.68 5.34 Favored 'General case' 0 N--CA 1.494 1.762 0 C-N-CA 126.1 1.76 . . . . 10.0 113.439 -172.378 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1877 ' ' HIS . . . . . . . . . . . . . 3.2 p-80 -145.42 -178.49 6.1 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 119.24 0.927 . . . . 10.0 112.23 173.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1878 ' ' GLY . . . . . . . . . . . . . . . -151.52 163.49 29.95 Favored Glycine 0 N--CA 1.468 0.811 0 C-N-CA 125.135 1.35 . . . . 10.0 113.398 178.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1879 ' ' VAL . . . . . . . . . . . . . 11.5 t -132.44 109.79 15.29 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.421 0 C-N-CA 124.851 1.26 . . . . 10.0 110.652 178.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1880 ' ' VAL . . . . . . . . . . . . . 57.9 t -59.74 124.06 13.33 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 C-N-CA 124.671 1.188 . . . . 10.0 110.691 -177.598 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1881 ' ' ASN . . . . . . . . . . . . . 76.0 m-20 67.32 17.09 10.19 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 128.207 2.603 . . . . 10.0 116.271 -172.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1882 ' ' LYS . . . . . . . . . . . . . 14.1 tppt? -137.68 144.8 46.08 Favored Pre-proline 0 N--CA 1.483 1.221 0 O-C-N 120.627 -1.296 . . . . 10.0 112.074 172.407 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1883 ' ' PRO . . . . . . . . . . . . . 92.9 Cg_exo -55.66 141.01 84.6 Favored 'Trans proline' 0 C--O 1.239 0.558 0 C-N-CA 123.964 3.109 . . . . 10.0 114.323 -175.118 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1884 ' ' ALA . . . . . . . . . . . . . . . -123.18 149.26 44.85 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 126.956 2.102 . . . . 10.0 109.087 168.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1885 ' ' THR . . . . . . . . . . . . . 5.8 t -161.95 156.12 21.96 Favored 'General case' 0 N--CA 1.482 1.142 0 N-CA-C 115.243 1.571 . . . . 10.0 115.243 -168.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1886 ' ' PHE . . . . . . . . . . . . . 47.0 p90 -152.9 177.24 10.97 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 124.52 1.128 . . . . 10.0 113.314 -177.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1887 ' ' THR . . . . . . . . . . . . . 88.8 m -127.55 141.05 51.75 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.41 1.484 . . . . 10.0 110.233 -171.355 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1888 ' ' VAL . . . . . . . . . . . . . 1.2 m -137.56 63.09 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 C-N-CA 127.775 2.43 . . . . 10.0 108.542 -175.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1889 ' ' ASN . . . . . . . . . . . . . 63.9 t-20 -62.04 101.62 0.23 Allowed 'General case' 0 C--N 1.317 -0.832 0 C-N-CA 128.454 2.702 . . . . 10.0 111.796 -175.489 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1890 ' ' THR . . . . . . . . . . . . . 17.0 p -66.52 -27.22 67.59 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 126.118 1.767 . . . . 10.0 114.844 179.156 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1891 ' ' LYS . . . . . . . . . . . . . 54.6 mttp 58.17 -68.22 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 127.864 2.466 . . . . 10.0 113.438 -170.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 29.7 t70 -140.94 8.11 2.08 Favored 'General case' 0 CA--C 1.561 1.373 0 C-N-CA 126.97 2.108 . . . . 10.0 112.782 171.206 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1893 ' ' ALA . . . . . . . . . . . . . . . -67.81 71.9 0.15 Allowed 'General case' 0 CA--C 1.555 1.139 0 C-N-CA 129.006 2.923 . . . . 10.0 113.707 178.1 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -104.28 -11.69 30.96 Favored Glycine 0 CA--C 1.543 1.814 0 C-N-CA 125.546 1.546 . . . . 10.0 116.053 176.232 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1895 ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -83.31 -20.88 33.58 Favored 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 115.329 1.604 . . . . 10.0 115.329 -170.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1896 ' ' GLY . . . . . . . . . . . . . . . -100.72 -86.82 1.94 Allowed Glycine 0 CA--C 1.528 0.864 0 C-N-CA 127.257 2.36 . . . . 10.0 113.133 -178.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1897 ' ' GLY . . . . . . . . . . . . . . . 142.36 108.65 0.69 Allowed Glycine 0 CA--C 1.526 0.742 0 N-CA-C 111.392 -0.683 . . . . 10.0 111.392 -178.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1898 ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -72.39 119.92 17.27 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.341 1.456 . . . . 10.0 109.316 170.448 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1899 ' ' SER . . . . . . . . . . . . . 59.6 m -130.49 145.61 51.88 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 127.751 2.42 . . . . 10.0 110.542 176.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1900 ' ' LEU . . . . . . . . . . . . . 4.6 pp -152.56 169.91 21.47 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 115.104 1.52 . . . . 10.0 115.104 177.18 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1901 ' ' ALA . . . . . . . . . . . . . . . -153.79 170.43 20.98 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 126.375 1.87 . . . . 10.0 112.462 168.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1902 ' ' ILE . . . . . . . . . . . . . 2.7 mp -121.26 139.4 48.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 125.394 1.478 . . . . 10.0 108.875 172.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1903 ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -117.46 167.34 11.36 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 127.104 2.162 . . . . 10.0 110.827 170.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1904 ' ' GLY . . . . . . . . . . . . . . . 166.5 -170.21 40.95 Favored Glycine 0 CA--C 1.541 1.713 0 O-C-N 120.938 -1.102 . . . . 10.0 112.172 -178.076 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1905 ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -69.54 -16.8 38.69 Favored 'Trans proline' 0 CA--C 1.543 0.946 0 C-N-CA 123.554 2.836 . . . . 10.0 113.653 168.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1906 ' ' SER . . . . . . . . . . . . . 23.0 t -146.63 174.49 11.38 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 127.574 2.35 . . . . 10.0 110.357 -168.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1907 ' ' LYS . . . . . . . . . . . . . 58.3 mtmt -126.94 107.38 10.03 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.423 1.489 . . . . 10.0 111.721 -170.376 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1908 ' ' ALA . . . . . . . . . . . . . . . -69.8 160.82 31.02 Favored 'General case' 0 CA--C 1.557 1.239 0 C-N-CA 126.922 2.089 . . . . 10.0 113.741 -178.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1909 ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -86.23 96.84 10.07 Favored 'General case' 0 C--O 1.238 0.468 0 O-C-N 121.066 -1.021 . . . . 10.0 110.535 171.208 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1910 ' ' ILE . . . . . . . . . . . . . 58.2 mt -87.26 139.47 17.28 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 126.086 1.754 . . . . 10.0 111.035 -175.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1911 ' ' SER . . . . . . . . . . . . . 8.1 t -150.62 172.64 15.21 Favored 'General case' 0 CA--C 1.557 1.231 0 C-N-CA 125.784 1.633 . . . . 10.0 111.182 172.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1912 ' ' CYS . . . . . . . . . . . . . 30.4 p -137.78 161.45 36.54 Favored 'General case' 0 N--CA 1.479 1.007 0 O-C-N 119.797 -1.814 . . . . 10.0 112.815 -176.211 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1913 ' ' THR . . . . . . . . . . . . . 26.8 m -102.76 114.53 28.86 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.23 1.412 . . . . 10.0 111.174 -170.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1914 ' ' ASP . . . . . . . . . . . . . 36.5 m-20 -65.77 115.46 5.93 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 124.619 1.167 . . . . 10.0 111.84 170.399 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1915 ' ' ASN . . . . . . . . . . . . . 49.4 t-20 -147.23 142.55 27.36 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.692 1.197 . . . . 10.0 111.131 175.415 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1916 ' ' GLN . . . . . . . . . . . . . 29.9 tp60 -68.25 -12.77 61.55 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 124.939 1.296 . . . . 10.0 113.364 176.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1917 ' ' ASP . . . . . . . . . . . . . 20.5 t70 -72.9 -14.79 61.55 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 125.202 1.401 . . . . 10.0 113.682 178.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1918 ' ' GLY . . . . . . . . . . . . . . . 82.59 12.18 80.62 Favored Glycine 0 CA--C 1.534 1.232 0 C-N-CA 125.47 1.509 . . . . 10.0 115.447 171.395 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1919 ' ' THR . . . . . . . . . . . . . 61.1 p -64.39 168.69 5.44 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 125.263 1.425 . . . . 10.0 112.087 171.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1920 ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -115.81 36.2 4.11 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.761 0.824 . . . . 10.0 111.52 173.497 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1921 ' ' SER . . . . . . . . . . . . . 72.3 m -55.35 123.55 14.2 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 124.797 1.239 . . . . 10.0 111.489 -172.253 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1922 ' ' VAL . . . . . . . . . . . . . 3.4 t -125.51 135.04 65.21 Favored 'Isoleucine or valine' 0 C--O 1.24 0.605 0 C-N-CA 124.711 1.204 . . . . 10.0 112.33 -168.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1923 ' ' SER . . . . . . . . . . . . . 65.1 p -110.3 155.74 21.67 Favored 'General case' 0 C--O 1.242 0.671 0 C-N-CA 125.08 1.352 . . . . 10.0 111.258 169.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1924 ' ' TYR . . . . . . . . . . . . . 18.9 p90 -145.84 166.6 25.46 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 125.809 1.644 . . . . 10.0 110.509 173.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1925 ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -145.18 93.99 5.36 Favored Pre-proline 0 CA--C 1.544 0.716 0 O-C-N 120.695 -1.253 . . . . 10.0 109.166 -171.28 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1926 ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -70.18 121.24 7.85 Favored 'Trans proline' 0 C--N 1.354 0.84 0 C-N-CA 123.064 2.51 . . . . 10.0 110.982 -179.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1927 ' ' VAL . . . . . . . . . . . . . 26.9 m -78.32 -18.39 13.59 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 N-CA-C 113.946 1.091 . . . . 10.0 113.946 176.058 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1928 ' ' LEU . . . . . . . . . . . . . 22.6 mt -141.52 156.39 66.74 Favored Pre-proline 0 CA--C 1.551 1.0 0 C-N-CA 126.023 1.729 . . . . 10.0 111.704 179.232 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1929 ' ' PRO . . . . . . . . . . . . . 8.9 Cg_exo -62.03 159.87 32.38 Favored 'Trans proline' 0 C--N 1.357 0.974 0 C-N-CA 123.643 2.895 . . . . 10.0 113.334 174.205 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1930 ' ' GLY . . . . . . . . . . . . . . . 161.07 179.0 35.53 Favored Glycine 0 CA--C 1.534 1.26 0 N-CA-C 115.137 0.815 . . . . 10.0 115.137 174.229 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1931 ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -99.09 77.21 2.15 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 126.981 2.113 . . . . 10.0 109.679 173.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1932 ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -73.36 158.02 35.84 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.365 0.666 . . . . 10.0 110.607 -176.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1933 ' ' SER . . . . . . . . . . . . . 44.2 t -128.05 141.98 51.35 Favored 'General case' 0 N--CA 1.477 0.89 0 O-C-N 120.462 -1.399 . . . . 10.0 111.167 177.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1934 ' ' ILE . . . . . . . . . . . . . 2.2 mm -113.07 104.37 16.92 Favored 'Isoleucine or valine' 0 C--N 1.345 0.395 0 C-N-CA 125.238 1.415 . . . . 10.0 109.126 -176.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1935 ' ' LEU . . . . . . . . . . . . . 2.9 mm? -92.23 98.11 11.31 Favored 'General case' 0 C--N 1.317 -0.822 0 C-N-CA 126.131 1.772 . . . . 10.0 108.109 -176.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1936 ' ' VAL . . . . . . . . . . . . . 21.2 t -108.9 132.63 56.4 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.284 0 CA-C-N 118.653 0.661 . . . . 10.0 110.72 178.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1937 ' ' LYS . . . . . . . . . . . . . 82.9 mttt -124.78 154.67 40.58 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 128.421 2.688 . . . . 10.0 112.341 179.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1938 ' ' TYR . . . . . . . . . . . . . 35.2 t80 -145.44 120.57 10.13 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.241 1.417 . . . . 10.0 109.914 168.185 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1939 ' ' ASN . . . . . . . . . . . . . 1.3 t30 52.2 73.07 0.35 Allowed 'General case' 0 CA--C 1.554 1.125 0 C-N-CA 125.703 1.601 . . . . 10.0 112.359 -173.164 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1940 ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 69.86 -16.72 0.27 Allowed 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 129.816 3.246 . . . . 10.0 117.178 173.345 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1941 ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -132.77 160.62 36.31 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 125.206 1.403 . . . . 10.0 111.933 -172.285 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1942 ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -65.41 146.33 55.02 Favored 'General case' 0 C--O 1.242 0.661 0 N-CA-C 114.426 1.269 . . . . 10.0 114.426 -173.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1943 ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -67.79 166.41 23.23 Favored Pre-proline 0 N--CA 1.474 0.752 0 C-N-CA 128.609 2.763 . . . . 10.0 112.923 -177.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1944 ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -57.91 108.67 0.4 Allowed 'Trans proline' 0 CA--C 1.549 1.225 0 C-N-CA 124.472 3.448 . . . . 10.0 111.563 177.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1945 ' ' GLY . . . . . . . . . . . . . . . 92.27 -5.54 78.05 Favored Glycine 0 CA--C 1.546 2.023 0 C-N-CA 126.304 1.907 . . . . 10.0 116.4 -179.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1946 ' ' SER . . . . . . . . . . . . . 2.0 m -67.87 161.83 63.69 Favored Pre-proline 0 CA--C 1.543 0.677 0 CA-C-N 119.325 1.563 . . . . 10.0 112.571 176.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1947 ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -73.6 170.48 70.13 Favored 'Cis proline' 0 C--N 1.357 0.979 0 C-N-CA 125.506 -0.623 . . . . 10.0 113.1 -10.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1948 ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -111.27 164.56 12.77 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.058 0.943 . . . . 10.0 111.424 175.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1949 ' ' THR . . . . . . . . . . . . . 86.6 m -141.29 126.65 18.69 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 125.304 1.442 . . . . 10.0 109.922 -179.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1950 ' ' ALA . . . . . . . . . . . . . . . -125.65 114.03 18.15 Favored 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 125.902 1.681 . . . . 10.0 111.5 -171.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1951 ' ' ARG . . . . . . . . . . . . . 18.9 ttp-105 -80.31 94.65 6.15 Favored 'General case' 0 N--CA 1.482 1.148 0 CA-C-O 122.953 1.359 . . . . 10.0 112.055 176.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1952 ' ' VAL . . . . . . . . . . . . . 2.8 t -59.0 109.77 0.41 Allowed 'Isoleucine or valine' 0 C--O 1.242 0.706 0 C-N-CA 125.684 1.594 . . . . 10.0 110.793 166.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1953 ' ' THR . . . . . . . . . . . . . 33.9 p -58.15 -68.92 0.2 Allowed 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 126.068 1.747 . . . . 10.0 114.555 -168.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1954 ' ' GLY . . . . . . . . . . . . . . . 90.03 148.84 20.67 Favored Glycine 0 CA--C 1.529 0.925 0 C-N-CA 127.505 2.479 . . . . 10.0 114.956 -179.214 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1955 ' ' ASP . . . . . . . . . . . . . 27.1 t70 -82.11 -20.0 38.97 Favored 'General case' 0 CA--C 1.552 1.028 0 C-N-CA 124.36 1.064 . . . . 10.0 112.331 179.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1956 ' ' ASP . . . . . . . . . . . . . 35.2 t70 . . . . . 0 C--O 1.259 1.564 0 C-N-CA 124.999 1.32 . . . . 10.0 112.628 -176.999 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.514 0 N-CA-C 111.013 -0.835 . . . . 10.0 111.013 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' -3' ' ' ALA . . . . . . . . . . . . . . . -67.68 -177.68 0.81 Allowed 'General case' 0 CA--C 1.554 1.106 0 C-N-CA 125.387 1.475 . . . . 10.0 113.572 174.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 10.2 tpt -63.09 -21.5 66.22 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 124.778 1.231 . . . . 10.0 113.522 176.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -1' ' ' VAL . . . . . . . . . . . . . 30.9 m -135.4 178.51 5.19 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 C-N-CA 128.019 2.528 . . . . 10.0 111.65 175.057 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1863 ' ' VAL . . . . . . . . . . . . . 27.6 m -62.77 168.19 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 125.957 1.703 . . . . 10.0 113.15 174.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1864 ' ' ASN . . . . . . . . . . . . . 40.0 t30 -61.82 112.44 2.29 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 124.722 1.209 . . . . 10.0 113.664 178.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1865 ' ' CYS . . . . . . . . . . . . . 94.1 m -116.19 8.94 14.5 Favored 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 126.202 1.801 . . . . 10.0 113.886 -175.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1866 ' ' GLY . . . . . . . . . . . . . . . -65.23 166.34 33.68 Favored Glycine 0 N--CA 1.473 1.119 0 C-N-CA 125.7 1.619 . . . . 10.0 116.395 -174.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1867 ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -74.88 169.07 18.68 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.366 1.466 . . . . 10.0 113.156 178.352 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1868 ' ' VAL . . . . . . . . . . . . . 9.1 p -67.65 109.78 1.65 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 124.866 1.267 . . . . 10.0 112.95 178.029 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1869 ' ' THR . . . . . . . . . . . . . 5.7 m -161.49 138.76 8.78 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 128.582 2.753 . . . . 10.0 108.62 171.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1870 ' ' ALA . . . . . . . . . . . . . . . -74.41 146.76 42.65 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 113.095 0.776 . . . . 10.0 113.095 -178.162 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1871 ' ' TYR . . . . . . . . . . . . . 26.8 p90 -153.53 147.64 25.66 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.69 1.596 . . . . 10.0 112.128 172.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1872 ' ' GLY . . . . . . . . . . . . . . . 156.21 172.47 23.66 Favored Glycine 0 CA--C 1.534 1.276 0 C-N-CA 124.261 0.934 . . . . 10.0 114.149 -176.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1873 ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -70.36 -35.69 10.48 Favored 'Trans proline' 0 N--CA 1.471 0.192 0 C-N-CA 122.597 2.198 . . . . 10.0 112.988 -171.201 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1874 ' ' GLY . . . . . . . . . . . . . . . -68.24 -22.8 74.7 Favored Glycine 0 C--N 1.356 1.683 0 O-C-N 120.775 -1.203 . . . . 10.0 115.046 -174.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1875 ' ' LEU . . . . . . . . . . . . . 50.1 mt -71.35 -15.33 62.38 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 114.121 1.156 . . . . 10.0 114.121 -174.1 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1876 ' ' THR . . . . . . . . . . . . . 42.1 p -114.14 -45.23 3.07 Favored 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 124.797 1.239 . . . . 10.0 111.295 177.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1877 ' ' HIS . . . . . . . . . . . . . 47.9 m80 -134.14 113.94 12.59 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 124.422 1.089 . . . . 10.0 110.53 -178.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1878 ' ' GLY . . . . . . . . . . . . . . . -83.01 -178.27 52.29 Favored Glycine 0 CA--C 1.552 2.365 0 C-N-CA 125.254 1.407 . . . . 10.0 112.749 173.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1879 ' ' VAL . . . . . . . . . . . . . 21.7 t -145.39 103.25 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 N-CA-C 106.306 -1.738 . . . . 10.0 106.306 177.278 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1880 ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -65.74 142.04 17.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 C-N-CA 119.568 -0.853 . . . . 10.0 111.372 -169.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1881 ' ' ASN . . . . . . . . . . . . . 68.5 m-80 62.45 10.39 3.95 Favored 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 126.017 1.727 . . . . 10.0 115.578 -173.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1882 ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -128.12 141.54 41.61 Favored Pre-proline 0 N--CA 1.494 1.758 0 CA-C-N 120.533 1.515 . . . . 10.0 111.322 169.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1883 ' ' PRO . . . . . . . . . . . . . 81.4 Cg_exo -51.74 121.77 9.22 Favored 'Trans proline' 0 CA--C 1.535 0.553 0 C-N-CA 123.74 2.96 . . . . 10.0 114.196 -175.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1884 ' ' ALA . . . . . . . . . . . . . . . -93.94 155.32 17.22 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 125.744 1.617 . . . . 10.0 111.003 169.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1885 ' ' THR . . . . . . . . . . . . . 37.4 p -149.89 150.57 32.12 Favored 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 114.239 1.199 . . . . 10.0 114.239 -169.05 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1886 ' ' PHE . . . . . . . . . . . . . 37.3 p90 -151.76 174.86 13.02 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 126.156 1.783 . . . . 10.0 111.421 168.047 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1887 ' ' THR . . . . . . . . . . . . . 94.6 m -126.69 145.01 50.75 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 126.81 2.044 . . . . 10.0 111.438 175.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1888 ' ' VAL . . . . . 0.452 ' CG1' ' HB3' ' A' 1920 ' ' CYS 0.398 2.5 p -136.72 94.17 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 CA-C-O 122.758 1.266 . . . . 10.0 112.411 177.592 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A 1889 ' ' ASN . . . . . . . . . . . . . 2.2 t30 -68.97 102.45 1.6 Allowed 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 128.133 2.573 . . . . 10.0 110.531 -177.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1890 ' ' THR . . . . . . . . . . . . . 26.4 p -77.08 8.51 3.82 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 115.881 1.808 . . . . 10.0 115.881 179.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1891 ' ' LYS . . . . . . . . . . . . . 89.8 mttt -60.95 150.38 33.52 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-N 120.471 1.487 . . . . 10.0 112.027 179.319 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 18.2 t70 60.84 -8.59 0.07 Allowed 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 129.446 3.098 . . . . 10.0 116.139 179.512 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1893 ' ' ALA . . . . . . . . . . . . . . . -65.66 -24.16 66.96 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 127.279 2.232 . . . . 10.0 115.405 179.001 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . 88.15 -118.76 5.15 Favored Glycine 0 CA--C 1.537 1.457 0 C-N-CA 125.525 1.536 . . . . 10.0 111.592 -171.313 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1895 ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -148.16 112.04 5.12 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.982 1.713 . . . . 10.0 110.661 177.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1896 ' ' GLY . . . . . . . . . . . . . . . -139.85 -13.41 0.62 Allowed Glycine 0 CA--C 1.544 1.852 0 N-CA-C 117.15 1.62 . . . . 10.0 117.15 -176.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1897 ' ' GLY . . . . . . . . . . . . . . . 79.6 92.52 0.38 Allowed Glycine 0 N--CA 1.479 1.56 0 CA-C-N 119.353 1.577 . . . . 10.0 111.265 -177.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1898 ' ' LEU . . . . . . . . . . . . . 5.6 tt -75.69 135.11 40.4 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 124.485 1.114 . . . . 10.0 110.39 177.185 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1899 ' ' SER . . . . . . . . . . . . . 39.2 m -135.5 153.19 51.81 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 126.52 1.928 . . . . 10.0 112.103 -179.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1900 ' ' LEU . . . . . . . . . . . . . 67.2 mt -124.78 161.23 26.89 Favored 'General case' 0 C--O 1.239 0.51 0 N-CA-C 114.236 1.198 . . . . 10.0 114.236 175.153 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1901 ' ' ALA . . . . . . . . . . . . . . . -151.37 162.14 41.45 Favored 'General case' 0 CA--C 1.557 1.219 0 C-N-CA 126.469 1.907 . . . . 10.0 108.94 164.25 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1902 ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -131.1 140.76 47.79 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.096 0 C-N-CA 124.61 1.164 . . . . 10.0 109.714 174.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1903 ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -122.68 168.13 12.58 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 126.81 2.044 . . . . 10.0 110.359 170.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1904 ' ' GLY . . . . . . . . . . . . . . . 155.13 -161.46 30.41 Favored Glycine 0 CA--C 1.541 1.714 0 C-N-CA 125.329 1.443 . . . . 10.0 112.606 -173.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1905 ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -71.38 -20.69 27.33 Favored 'Trans proline' 0 CA--C 1.545 1.03 0 CA-C-N 119.646 1.723 . . . . 10.0 112.126 170.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1906 ' ' SER . . . . . . . . . . . . . 8.5 t -155.98 -176.54 6.01 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 129.926 3.29 . . . . 10.0 108.013 -168.149 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1907 ' ' LYS . . . . . . . . . . . . . 56.1 mttm -134.11 173.46 11.57 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 125.56 1.544 . . . . 10.0 112.636 -173.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1908 ' ' ALA . . . . . . . . . . . . . . . -133.33 153.91 51.17 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 126.32 1.848 . . . . 10.0 112.547 -173.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1909 ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -75.9 89.03 2.91 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.492 0.717 . . . . 10.0 111.571 176.244 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1910 ' ' ILE . . . . . . . . . . . . . 32.8 mt -64.46 113.14 1.65 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 123.714 0.806 . . . . 10.0 111.315 177.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1911 ' ' SER . . . . . . . . . . . . . 71.0 m -130.95 92.48 3.23 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.887 1.675 . . . . 10.0 112.128 173.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1912 ' ' CYS . . . . . . . . . . . . . 34.6 m -63.83 159.29 19.87 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 124.88 1.272 . . . . 10.0 111.103 168.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1913 ' ' THR . . . . . 0.449 ' HB ' ' HB3' ' A' 1921 ' ' SER . 22.3 m -132.55 93.16 3.18 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 121.522 -0.736 . . . . 10.0 109.486 167.8 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1914 ' ' ASP . . . . . . . . . . . . . 28.0 t70 -54.36 126.28 22.67 Favored 'General case' 0 CA--C 1.554 1.096 0 C-N-CA 126.467 1.907 . . . . 10.0 112.289 -178.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1915 ' ' ASN . . . . . . . . . . . . . 63.3 t-20 -136.28 130.98 33.83 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 125.914 1.686 . . . . 10.0 109.535 177.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1916 ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -60.94 -9.5 4.33 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 114.364 1.246 . . . . 10.0 114.364 174.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1917 ' ' ASP . . . . . . . . . . . . . 24.9 t70 -70.17 -10.68 59.58 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 124.797 1.239 . . . . 10.0 112.261 169.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1918 ' ' GLY . . . . . . . . . . . . . . . 88.9 38.1 7.03 Favored Glycine 0 CA--C 1.536 1.386 0 C-N-CA 126.037 1.78 . . . . 10.0 114.559 176.225 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1919 ' ' THR . . . . . . . . . . . . . 75.2 p -126.68 144.99 50.75 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 125.235 1.414 . . . . 10.0 113.146 -175.041 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1920 ' ' CYS . . . . . 0.452 ' HB3' ' CG1' ' A' 1888 ' ' VAL . 9.7 p -79.15 -24.18 43.48 Favored 'General case' 0 N--CA 1.483 1.177 0 N-CA-C 115.724 1.75 . . . . 10.0 115.724 -175.023 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1921 ' ' SER . . . . . 0.449 ' HB3' ' HB ' ' A' 1913 ' ' THR . 22.9 t 22.63 58.0 0.03 OUTLIER 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 130.586 3.555 . . . . 10.0 112.416 -164.661 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1922 ' ' VAL . . . . . . . . . . . . . 75.6 t -78.06 103.83 5.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 125.819 1.648 . . . . 10.0 109.932 -175.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1923 ' ' SER . . . . . . . . . . . . . 74.4 m -96.21 111.52 23.55 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.472 1.109 . . . . 10.0 109.294 168.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1924 ' ' TYR . . . . . . . . . . . . . 13.8 p90 -120.33 163.35 17.96 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.648 1.179 . . . . 10.0 110.243 178.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1925 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -142.74 93.14 6.89 Favored Pre-proline 0 CA--C 1.554 1.118 0 O-C-N 121.017 -1.052 . . . . 10.0 112.683 -171.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1926 ' ' PRO . . . . . . . . . . . . . 86.8 Cg_endo -72.41 152.63 55.06 Favored 'Trans proline' 0 CA--C 1.536 0.6 0 C-N-CA 123.866 3.044 . . . . 10.0 111.606 176.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1927 ' ' VAL . . . . . . . . . . . . . 35.1 m -122.35 -15.55 6.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 N-CA-C 115.797 1.776 . . . . 10.0 115.797 -168.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1928 ' ' LEU . . . . . . . . . . . . . 6.0 tt -140.03 122.88 10.19 Favored Pre-proline 0 CA--C 1.549 0.906 0 C-N-CA 124.715 1.206 . . . . 10.0 112.263 179.416 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1929 ' ' PRO . . . . . . . . . . . . . 88.0 Cg_exo -46.59 127.91 12.21 Favored 'Trans proline' 0 CA--C 1.537 0.654 0 C-N-CA 125.101 3.867 . . . . 10.0 114.218 -176.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1930 ' ' GLY . . . . . . . . . . . . . . . 179.05 178.66 48.4 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 115.174 0.829 . . . . 10.0 115.174 -170.04 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1931 ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -95.19 106.02 18.0 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.138 1.375 . . . . 10.0 110.222 172.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1932 ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -101.08 105.92 17.14 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.884 1.274 . . . . 10.0 109.441 -175.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1933 ' ' SER . . . . . . . . . . . . . 67.5 m -79.23 117.98 20.74 Favored 'General case' 0 N--CA 1.478 0.927 0 O-C-N 121.542 -0.724 . . . . 10.0 110.875 174.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1934 ' ' ILE . . . . . . . . . . . . . 7.0 mm -80.52 123.8 37.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 N-CA-C 107.445 -1.317 . . . . 10.0 107.445 170.142 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1935 ' ' LEU . . . . . . . . . . . . . 3.0 mm? -97.58 91.18 5.31 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 126.063 1.745 . . . . 10.0 108.389 170.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1936 ' ' VAL . . . . . . . . . . . . . 37.3 t -86.61 130.85 36.08 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 N-CA-C 108.767 -0.827 . . . . 10.0 108.767 174.247 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1937 ' ' LYS . . . . . . . . . . . . . 98.4 mttt -127.92 139.47 52.58 Favored 'General case' 0 C--O 1.232 0.162 0 C-N-CA 125.261 1.424 . . . . 10.0 111.742 -176.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1938 ' ' TYR . . . . . . . . . . . . . 25.0 t80 -126.73 115.36 19.29 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 125.358 1.463 . . . . 10.0 109.347 171.037 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1939 ' ' ASN . . . . . . . . . . . . . 8.6 t-20 52.64 57.51 6.32 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 126.038 1.735 . . . . 10.0 112.722 -170.208 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1940 ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 63.02 -8.18 0.13 Allowed 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 128.629 2.772 . . . . 10.0 117.374 178.246 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1941 ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -101.16 144.43 30.06 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.455 1.502 . . . . 10.0 110.267 176.298 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1942 ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -68.1 148.58 50.76 Favored 'General case' 0 CA--C 1.542 0.655 0 O-C-N 121.354 -0.841 . . . . 10.0 112.306 -177.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1943 ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -68.45 166.98 20.85 Favored Pre-proline 0 CA--C 1.546 0.822 0 C-N-CA 126.488 1.915 . . . . 10.0 113.195 -177.242 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1944 ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -64.5 -8.14 16.31 Favored 'Trans proline' 0 C--N 1.354 0.855 1 C-N-CA 126.341 4.694 . . . . 10.0 117.616 -173.123 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1945 ' ' GLY . . . . . . . . . . . . . . . -127.13 -4.22 6.03 Favored Glycine 0 CA--C 1.534 1.267 0 C-N-CA 127.688 2.565 . . . . 10.0 115.191 178.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1946 ' ' SER . . . . . . . . . . . . . 5.4 m -71.07 148.76 94.45 Favored Pre-proline 0 N--CA 1.481 1.107 0 CA-C-N 119.565 1.683 . . . . 10.0 113.188 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1947 ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -74.85 161.46 94.74 Favored 'Cis proline' 0 C--N 1.363 1.301 0 CA-C-N 119.567 0.881 . . . . 10.0 111.363 -4.296 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1948 ' ' PHE . . . . . . . . . . . . . 81.0 m-85 -109.9 96.36 6.19 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 124.508 1.123 . . . . 10.0 109.162 173.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1949 ' ' THR . . . . . . . . . . . . . 17.6 m -79.22 86.77 4.97 Favored 'General case' 0 C--O 1.241 0.643 0 C-N-CA 125.765 1.626 . . . . 10.0 110.527 -175.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1950 ' ' ALA . . . . . . . . . . . . . . . -75.3 152.06 38.25 Favored 'General case' 0 N--CA 1.446 -0.643 0 C-N-CA 123.866 0.867 . . . . 10.0 111.005 173.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1951 ' ' ARG . . . . . . . . . . . . . 53.6 ttt85 -122.79 96.52 5.05 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-O 121.963 0.887 . . . . 10.0 111.5 173.517 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1952 ' ' VAL . . . . . . . . . . . . . 6.2 t -67.11 106.66 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.314 -0.952 0 C-N-CA 131.08 3.752 . . . . 10.0 111.714 176.101 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1953 ' ' THR . . . . . . . . . . . . . 68.1 p -80.01 153.89 28.55 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 124.498 1.119 . . . . 10.0 111.845 -178.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1954 ' ' GLY . . . . . . . . . . . . . . . -82.8 46.9 3.69 Favored Glycine 0 N--CA 1.468 0.784 0 C-N-CA 126.704 2.097 . . . . 10.0 113.156 -178.44 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1955 ' ' ASP . . . . . . . . . . . . . 27.0 t70 -63.62 -32.6 74.12 Favored 'General case' 0 N--CA 1.48 1.07 0 O-C-N 121.277 -1.131 . . . . 10.0 113.94 -175.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1956 ' ' ASP . . . . . . . . . . . . . 33.6 t70 . . . . . 0 C--O 1.253 1.283 0 C-N-CA 126.131 1.773 . . . . 10.0 113.141 -179.269 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.379 0 N-CA-C 111.981 -0.447 . . . . 10.0 111.981 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' -3' ' ' ALA . . . . . . . . . . . . . . . -69.09 169.81 11.18 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 124.476 1.11 . . . . 10.0 113.85 175.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 11.9 tpt -147.51 157.1 43.42 Favored 'General case' 0 C--O 1.24 0.567 0 C-N-CA 125.914 1.686 . . . . 10.0 110.881 176.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -1' ' ' VAL . . . . . . . . . . . . . 9.1 p -61.32 153.29 5.52 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 C-N-CA 125.267 1.427 . . . . 10.0 112.504 177.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1863 ' ' VAL . . . . . . . . . . . . . 31.6 m -110.42 162.69 7.83 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 C-N-CA 125.416 1.487 . . . . 10.0 112.804 -178.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1864 ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -101.8 -13.51 17.67 Favored 'General case' 0 CA--C 1.548 0.885 0 N-CA-C 114.488 1.292 . . . . 10.0 114.488 -172.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1865 ' ' CYS . . . . . . . . . . . . . 37.2 t -56.23 109.32 0.58 Allowed 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 126.01 1.724 . . . . 10.0 113.613 -174.122 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1866 ' ' GLY . . . . . . . . . . . . . . . -104.42 100.16 1.77 Allowed Glycine 0 CA--C 1.535 1.314 0 C-N-CA 125.089 1.328 . . . . 10.0 112.468 176.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1867 ' ' HIS . . . . . . . . . . . . . 18.3 p-80 -53.8 126.37 21.89 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.93 0.892 . . . . 10.0 112.724 178.337 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1868 ' ' VAL . . . . . . . . . . . . 0.285 8.9 p 47.14 35.39 0.24 Allowed 'Isoleucine or valine' 0 CA--C 1.554 1.128 0 C-N-CA 128.622 2.769 . . . . 10.0 115.016 177.38 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1869 ' ' THR . . . . . . . . . . . . . 3.3 m -143.2 133.41 24.49 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 125.494 1.518 . . . . 10.0 107.477 172.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1870 ' ' ALA . . . . . . . . . . . . . . . -72.13 155.57 40.12 Favored 'General case' 0 CA--C 1.549 0.904 0 CA-C-O 122.184 0.993 . . . . 10.0 112.012 -176.147 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1871 ' ' TYR . . . . . . . . . . . . . 20.2 p90 -148.74 152.41 36.55 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 126.816 2.046 . . . . 10.0 110.98 175.523 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1872 ' ' GLY . . . . . . . . . . . . . . . 142.44 168.71 11.89 Favored Glycine 0 N--CA 1.474 1.209 0 C-N-CA 125.214 1.388 . . . . 10.0 112.629 -176.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1873 ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo -70.55 -29.58 19.87 Favored 'Trans proline' 0 C--N 1.35 0.657 0 C-N-CA 123.1 2.533 . . . . 10.0 113.57 -178.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1874 ' ' GLY . . . . . . . . . . . . . . . -66.01 -12.9 58.68 Favored Glycine 0 C--N 1.35 1.333 0 N-CA-C 116.396 1.318 . . . . 10.0 116.396 -176.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1875 ' ' LEU . . . . . . . . . . . . . 18.7 mt -87.45 -14.91 39.19 Favored 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 113.286 0.847 . . . . 10.0 113.286 177.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1876 ' ' THR . . . . . . . . . . . . . 42.2 p -127.72 -31.4 2.45 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 125.173 1.389 . . . . 10.0 113.258 -174.257 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1877 ' ' HIS . . . . . . . . . . . . . 27.1 m-70 -138.06 -178.58 5.33 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 127.045 2.138 . . . . 10.0 111.691 173.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1878 ' ' GLY . . . . . . . . . . . . . . . -166.7 175.31 42.05 Favored Glycine 0 CA--C 1.537 1.444 0 C-N-CA 124.406 1.003 . . . . 10.0 112.78 179.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1879 ' ' VAL . . . . . . . . . . . . . 9.1 t -133.23 117.64 29.24 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 124.708 1.203 . . . . 10.0 110.073 172.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1880 ' ' VAL . . . . . . . . . . . . . 72.8 t -61.39 135.95 25.48 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.25 0 C-N-CA 123.779 0.832 . . . . 10.0 110.123 179.57 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1881 ' ' ASN . . . . . . . . . . . . . 80.1 m-20 54.34 21.43 3.18 Favored 'General case' 0 CA--C 1.553 1.075 0 N-CA-C 116.568 2.062 . . . . 10.0 116.568 -176.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1882 ' ' LYS . . . . . . . . . . . . . 14.8 tppt? -135.09 144.22 49.24 Favored Pre-proline 0 CA--C 1.549 0.909 0 C-N-CA 125.103 1.361 . . . . 10.0 109.433 168.36 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1883 ' ' PRO . . . . . . . . . . . . . 67.7 Cg_exo -56.67 135.64 71.64 Favored 'Trans proline' 0 CA--C 1.54 0.776 0 C-N-CA 123.506 2.804 . . . . 10.0 114.48 -168.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1884 ' ' ALA . . . . . . . . . . . . . . . -111.45 145.61 38.67 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.048 1.339 . . . . 10.0 111.204 172.011 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1885 ' ' THR . . . . . . . . . . . . . 71.1 p -148.99 159.3 44.34 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 125.639 1.576 . . . . 10.0 113.94 -170.251 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1886 ' ' PHE . . . . . . . . . . . . . 31.9 p90 -154.93 175.85 13.26 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 126.824 2.05 . . . . 10.0 111.896 167.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1887 ' ' THR . . . . . . . . . . . . . 55.4 m -134.1 145.54 49.44 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 127.386 2.274 . . . . 10.0 109.421 -174.316 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1888 ' ' VAL . . . . . . . . . . . . . 10.2 p -149.49 86.33 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 CA-C-N 120.298 1.408 . . . . 10.0 114.329 -179.143 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1889 ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -84.0 111.39 19.24 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.536 1.134 . . . . 10.0 113.597 -169.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1890 ' ' THR . . . . . . . . . . . . . 22.9 p -90.57 98.02 11.53 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 126.647 1.979 . . . . 10.0 111.115 -178.267 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1891 ' ' LYS . . . . . . . . . . . . . 5.4 mtpm? -91.66 -85.96 0.23 Allowed 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 126.173 1.789 . . . . 10.0 111.322 -178.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 33.4 t70 -75.57 -31.82 60.14 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.562 1.145 . . . . 10.0 113.516 -171.051 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1893 ' ' ALA . . . . . . . . . . . . . . . -70.24 -27.28 64.33 Favored 'General case' 0 CA--C 1.55 0.977 0 N-CA-C 114.849 1.426 . . . . 10.0 114.849 -170.171 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . 157.78 -176.68 34.81 Favored Glycine 0 CA--C 1.527 0.8 0 C-N-CA 124.724 1.154 . . . . 10.0 112.845 -175.321 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1895 ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -79.76 1.57 26.18 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 115.404 1.631 . . . . 10.0 115.404 -170.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1896 ' ' GLY . . . . . . . . . . . . . . . 104.54 70.41 0.8 Allowed Glycine 0 CA--C 1.534 1.271 0 C-N-CA 125.792 1.663 . . . . 10.0 112.01 178.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1897 ' ' GLY . . . . . . . . . . . . . . . -108.94 8.6 33.76 Favored Glycine 0 CA--C 1.539 1.537 0 C-N-CA 125.8 1.667 . . . . 10.0 114.406 177.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1898 ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.74 166.16 15.83 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.417 1.487 . . . . 10.0 113.611 -178.632 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1899 ' ' SER . . . . . . . . . . . . . 4.9 t -154.74 165.53 36.3 Favored 'General case' 0 N--CA 1.476 0.855 0 O-C-N 120.812 -1.18 . . . . 10.0 111.995 176.36 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1900 ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -160.76 168.21 25.27 Favored 'General case' 0 N--CA 1.441 -0.918 0 C-N-CA 124.101 0.96 . . . . 10.0 113.531 -167.176 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1901 ' ' ALA . . . . . . . . . . . . . . . -150.59 167.56 26.91 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 126.023 1.729 . . . . 10.0 111.012 169.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1902 ' ' ILE . . . . . . . . . . . . . 3.6 mp -123.01 125.88 72.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 C-N-CA 126.011 1.724 . . . . 10.0 108.931 172.214 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1903 ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -123.35 175.68 6.58 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 127.297 2.239 . . . . 10.0 110.888 173.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1904 ' ' GLY . . . . . . . . . . . . . . . 166.25 -154.99 25.92 Favored Glycine 0 CA--C 1.542 1.758 0 O-C-N 120.944 -1.097 . . . . 10.0 111.041 -176.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1905 ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -71.33 -13.41 30.66 Favored 'Trans proline' 0 CA--C 1.537 0.63 0 C-N-CA 122.359 2.039 . . . . 10.0 113.028 170.142 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1906 ' ' SER . . . . . . . . . . . . . 14.4 t -153.24 170.62 20.14 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 128.699 2.8 . . . . 10.0 109.635 -169.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1907 ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -91.55 166.28 12.91 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-O 122.056 0.931 . . . . 10.0 112.026 176.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1908 ' ' ALA . . . . . . . . . . . . . . . -139.27 119.98 14.21 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 126.002 1.721 . . . . 10.0 108.62 172.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1909 ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -62.76 122.99 17.27 Favored 'General case' 0 N--CA 1.468 0.465 0 O-C-N 120.792 -1.192 . . . . 10.0 110.361 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1910 ' ' ILE . . . . . . . . . . . . . 47.2 mt -100.13 133.85 41.74 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 C-N-CA 124.471 1.108 . . . . 10.0 111.019 -173.38 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1911 ' ' SER . . . . . . . . . . . . . 38.9 m -125.29 157.92 35.44 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 126.331 1.852 . . . . 10.0 112.418 170.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1912 ' ' CYS . . . . . . . . . . . . . 29.9 p -141.8 179.41 6.87 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 127.187 2.195 . . . . 10.0 110.709 176.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1913 ' ' THR . . . . . . . . . . . . . 30.1 m -136.95 156.98 47.76 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 127.066 2.146 . . . . 10.0 110.668 179.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1914 ' ' ASP . . . . . . . . . . . . . 8.5 t70 -60.1 104.29 0.3 Allowed 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 124.359 1.063 . . . . 10.0 110.324 175.473 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1915 ' ' ASN . . . . . . . . . . . . . 18.8 p-10 -75.51 54.69 0.77 Allowed 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 127.495 2.318 . . . . 10.0 115.255 -167.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1916 ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -60.38 -18.39 50.04 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 124.968 1.307 . . . . 10.0 114.354 171.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1917 ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -93.93 2.03 56.2 Favored 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 126.326 1.851 . . . . 10.0 113.538 178.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1918 ' ' GLY . . . . . . . . . . . . . . . 71.53 34.69 63.21 Favored Glycine 0 CA--C 1.537 1.411 0 CA-C-N 119.448 1.022 . . . . 10.0 114.113 172.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1919 ' ' THR . . . . . . . . . . . . . 10.0 t -152.06 154.33 35.73 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.235 1.414 . . . . 10.0 112.318 179.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1920 ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -82.88 105.55 13.99 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 119.135 0.879 . . . . 10.0 111.497 179.732 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1921 ' ' SER . . . . . . . . . . . . . 68.6 m -79.06 59.5 2.71 Favored 'General case' 0 CA--C 1.551 0.992 0 CA-C-O 122.684 1.23 . . . . 10.0 111.843 177.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1922 ' ' VAL . . . . . . . . . . . . . 41.8 t -74.56 119.75 22.59 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 125.552 1.541 . . . . 10.0 111.493 -173.103 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1923 ' ' SER . . . . . . . . . . . . . 50.6 m -127.08 131.72 50.81 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 124.897 1.279 . . . . 10.0 110.571 176.004 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1924 ' ' TYR . . . . . . . . . . . . . 18.7 p90 -145.88 176.33 9.76 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.406 1.082 . . . . 10.0 111.169 -178.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1925 ' ' LEU . . . . . . . . . . . . . 1.3 mt -142.71 101.01 5.49 Favored Pre-proline 0 CA--C 1.557 1.219 0 C-N-CA 124.264 1.026 . . . . 10.0 109.789 -174.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1926 ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -70.86 132.17 21.06 Favored 'Trans proline' 0 C--N 1.353 0.78 0 C-N-CA 122.938 2.425 . . . . 10.0 111.741 174.139 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1927 ' ' VAL . . . . . . . . . . . . . 28.3 m -94.83 -17.17 7.18 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.392 0 N-CA-C 113.315 0.857 . . . . 10.0 113.315 -172.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1928 ' ' LEU . . . . . . . . . . . . . 15.8 mt -142.3 160.61 54.05 Favored Pre-proline 0 CA--C 1.547 0.836 0 C-N-CA 126.6 1.96 . . . . 10.0 111.101 172.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1929 ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -71.48 154.76 60.38 Favored 'Trans proline' 0 C--N 1.351 0.689 0 C-N-CA 124.079 3.186 . . . . 10.0 111.419 177.067 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1930 ' ' GLY . . . . . . . . . . . . . . . 167.53 179.14 40.14 Favored Glycine 0 CA--C 1.537 1.427 0 N-CA-C 116.288 1.275 . . . . 10.0 116.288 -175.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1931 ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -90.67 87.63 6.78 Favored 'General case' 0 C--O 1.245 0.833 0 C-N-CA 128.283 2.633 . . . . 10.0 108.602 171.068 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1932 ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -86.72 116.08 24.59 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 120.953 -1.092 . . . . 10.0 112.093 -174.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1933 ' ' SER . . . . . . . . . . . . . 61.6 m -78.39 128.5 33.73 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 123.73 0.812 . . . . 10.0 111.508 174.068 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1934 ' ' ILE . . . . . . . . . . . . . 7.8 mm -99.5 120.2 48.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 C-N-CA 126.49 1.916 . . . . 10.0 107.147 167.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1935 ' ' LEU . . . . . . . . . . . . . 2.6 mm? -106.74 66.54 0.69 Allowed 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 125.315 1.446 . . . . 10.0 110.172 -172.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1936 ' ' VAL . . . . . . . . . . . . . 59.7 t -74.53 133.53 31.35 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 O-C-N 121.142 -0.974 . . . . 10.0 111.746 177.123 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1937 ' ' LYS . . . . . . . . . . . . . 67.7 mttm -125.5 151.82 45.8 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 128.314 2.646 . . . . 10.0 113.402 177.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1938 ' ' TYR . . . . . . . . . . . . . 4.4 t80 -128.25 95.92 4.3 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 125.541 1.536 . . . . 10.0 109.709 169.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1939 ' ' ASN . . . . . . . . . . . . . 2.5 t30 52.51 78.4 0.13 Allowed 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 127.2 2.2 . . . . 10.0 112.648 -170.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1940 ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 70.78 -15.11 0.4 Allowed 'General case' 0 C--O 1.251 1.183 0 C-N-CA 129.764 3.226 . . . . 10.0 117.444 172.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1941 ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -118.76 147.26 44.06 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 125.949 1.7 . . . . 10.0 110.668 -177.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1942 ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -65.02 153.12 41.63 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-O 121.93 0.871 . . . . 10.0 113.289 -174.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1943 ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -71.29 167.38 30.24 Favored Pre-proline 0 CA--C 1.556 1.177 0 C-N-CA 126.492 1.917 . . . . 10.0 112.433 179.084 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1944 ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -61.67 97.19 0.14 Allowed 'Trans proline' 0 CA--C 1.536 0.617 0 C-N-CA 123.998 3.132 . . . . 10.0 112.504 -178.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1945 ' ' GLY . . . . . . . . . . . . . . . 98.88 -6.42 60.25 Favored Glycine 0 CA--C 1.539 1.583 0 CA-C-O 117.662 -1.632 . . . . 10.0 116.754 -176.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1946 ' ' SER . . . . . . . . . . . . . 39.3 m -70.04 156.09 92.37 Favored Pre-proline 0 CA--C 1.549 0.942 0 CA-C-N 119.836 1.818 . . . . 10.0 110.821 173.008 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1947 ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo -73.69 165.83 83.72 Favored 'Cis proline' 0 C--N 1.353 0.801 0 N-CA-C 114.545 0.941 . . . . 10.0 114.545 -2.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1948 ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -114.49 117.33 30.67 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 126.02 1.728 . . . . 10.0 111.808 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1949 ' ' THR . . . . . . . . . . . . . 46.5 m -92.24 97.32 10.82 Favored 'General case' 0 N--CA 1.481 1.121 0 O-C-N 120.812 -1.18 . . . . 10.0 112.177 -179.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1950 ' ' ALA . . . . . . . . . . . . . . . -83.36 152.96 24.82 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 124.501 1.12 . . . . 10.0 113.763 178.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1951 ' ' ARG . . . . . . . . . . . . . 40.9 mtt180 -123.65 83.44 2.14 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-O 123.32 1.534 . . . . 10.0 113.906 -177.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1952 ' ' VAL . . . . . . . . . . . . . 2.8 t -60.53 100.72 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.728 0 C-N-CA 130.046 3.338 . . . . 10.0 112.368 175.296 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1953 ' ' THR . . . . . . . . . . . . . 26.0 m -67.25 132.79 48.45 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.757 1.623 . . . . 10.0 110.815 175.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1954 ' ' GLY . . . . . . . . . . . . . . . -67.03 169.16 35.89 Favored Glycine 0 CA--C 1.542 1.73 0 N-CA-C 115.941 1.136 . . . . 10.0 115.941 -179.254 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1955 ' ' ASP . . . . . . . . . . . . . 32.8 t70 -139.79 -31.89 0.65 Allowed 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.453 1.501 . . . . 10.0 112.145 176.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1956 ' ' ASP . . . . . . . . . . . . . 6.2 p-10 . . . . . 0 C--O 1.252 1.193 0 C-N-CA 126.98 2.112 . . . . 10.0 114.026 179.952 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.407 0 N-CA-C 111.634 -0.587 . . . . 10.0 111.634 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' -3' ' ' ALA . . . . . . . . . . . . . . . -67.81 166.12 16.08 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 125.275 1.43 . . . . 10.0 113.263 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 64.6 mtt -141.52 159.33 42.44 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 126.413 1.885 . . . . 10.0 112.127 178.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -1' ' ' VAL . . . . . . . . . . . . . 35.1 m -76.82 164.84 3.36 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 C-N-CA 124.677 1.191 . . . . 10.0 111.376 170.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1863 ' ' VAL . . . . . . . . . . . . . 47.2 t -77.22 104.56 5.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 124.498 1.119 . . . . 10.0 109.455 169.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1864 ' ' ASN . . . . . . . . . . . . . 11.6 p30 -64.05 154.18 35.13 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 113.748 1.018 . . . . 10.0 113.748 179.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1865 ' ' CYS . . . . . . . . . . . . . 81.9 m -70.58 -66.65 0.58 Allowed 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 125.375 1.47 . . . . 10.0 112.405 -175.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1866 ' ' GLY . . . . . . . . . . . . . . . 72.71 -41.13 0.82 Allowed Glycine 0 CA--C 1.54 1.598 0 C-N-CA 126.632 2.063 . . . . 10.0 116.21 178.196 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1867 ' ' HIS . . . . . . . . . . . . . 65.3 m80 -90.43 173.87 7.86 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 127.301 2.241 . . . . 10.0 112.4 -171.051 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1868 ' ' VAL . . . . . . . . . . . . . 6.0 p -44.85 128.43 1.52 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 124.79 1.236 . . . . 10.0 112.159 171.258 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1869 ' ' THR . . . . . . . . . . . . . 6.4 m -123.91 141.47 52.0 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 124.288 1.035 . . . . 10.0 109.133 -176.139 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1870 ' ' ALA . . . . . . . . . . . . . . . -122.43 127.13 49.27 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.204 1.001 . . . . 10.0 110.9 172.207 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1871 ' ' TYR . . . . . . . . . . . . . 39.1 p90 -156.05 174.49 15.28 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 126.559 1.943 . . . . 10.0 109.774 -171.127 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1872 ' ' GLY . . . . . . . . . . . . . . . 119.73 169.45 14.17 Favored Glycine 0 CA--C 1.536 1.385 0 O-C-N 121.051 -1.031 . . . . 10.0 114.57 174.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1873 ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -66.44 -29.62 44.98 Favored 'Trans proline' 0 CA--C 1.536 0.612 0 C-N-CA 122.754 2.303 . . . . 10.0 112.461 -173.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1874 ' ' GLY . . . . . . . . . . . . . . . -66.23 -0.73 8.1 Favored Glycine 0 N--CA 1.473 1.128 0 CA-C-O 118.716 -1.047 . . . . 10.0 115.399 175.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1875 ' ' LEU . . . . . . . . . . . . . 21.0 mt -107.65 -2.74 19.9 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-N 119.251 1.525 . . . . 10.0 113.74 171.308 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1876 ' ' THR . . . . . . . . . . . . . 60.2 p -134.13 -15.92 2.22 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 125.676 1.59 . . . . 10.0 114.551 -178.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1877 ' ' HIS . . . . . . . . . . . . . 2.7 t-80 -148.2 177.13 9.66 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 127.784 2.434 . . . . 10.0 112.697 178.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1878 ' ' GLY . . . . . . . . . . . . . . . -169.08 169.38 41.85 Favored Glycine 0 CA--C 1.54 1.633 0 C-N-CA 125.575 1.56 . . . . 10.0 113.417 179.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1879 ' ' VAL . . . . . . . . . . . . . 11.9 t -130.84 121.25 49.59 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 C-N-CA 125.61 1.564 . . . . 10.0 111.126 174.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1880 ' ' VAL . . . . . . . . . . . . . 28.6 t -69.12 133.68 31.46 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.385 0 O-C-N 120.687 -1.258 . . . . 10.0 111.036 178.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1881 ' ' ASN . . . . . . . . . . . . . 78.7 m-20 65.13 7.65 4.26 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 127.785 2.434 . . . . 10.0 116.086 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1882 ' ' LYS . . . . . . . . . . . . . 5.0 tmmm? -133.92 139.74 34.29 Favored Pre-proline 0 N--CA 1.484 1.255 0 CA-C-N 120.576 1.535 . . . . 10.0 111.715 169.285 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1883 ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -54.04 145.73 51.44 Favored 'Trans proline' 0 C--O 1.238 0.485 0 C-N-CA 123.502 2.801 . . . . 10.0 115.243 -169.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1884 ' ' ALA . . . . . . . . . . . . . . . -128.17 158.03 39.19 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 125.061 1.345 . . . . 10.0 111.251 174.103 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1885 ' ' THR . . . . . . . . . . . . . 74.5 p -143.25 157.68 44.28 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.828 1.251 . . . . 10.0 114.282 -172.006 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1886 ' ' PHE . . . . . . . . . . . . . 43.6 p90 -150.96 169.7 21.13 Favored 'General case' 0 CA--C 1.556 1.175 0 C-N-CA 124.018 0.927 . . . . 10.0 112.424 169.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1887 ' ' THR . . . . . . . . . . . . . 16.5 m -111.81 146.55 37.44 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.329 1.451 . . . . 10.0 110.967 -169.248 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1888 ' ' VAL . . . . . . . . . . . . . 2.4 m -150.14 42.04 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.164 0 C-N-CA 126.826 2.051 . . . . 10.0 110.981 -168.032 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1889 ' ' ASN . . . . . . . . . . . . . 60.8 t-20 -48.32 104.97 0.07 Allowed 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 128.326 2.65 . . . . 10.0 112.75 -176.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1890 ' ' THR . . . . . . . . . . . . . 1.1 p -76.24 58.78 1.3 Allowed 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 128.727 2.811 . . . . 10.0 114.175 -172.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1891 ' ' LYS . . . . . . . . . . . . . 36.6 mtpt -65.47 109.63 2.39 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 127.477 2.311 . . . . 10.0 110.559 179.127 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 25.8 t70 50.51 28.64 3.5 Favored 'General case' 0 CA--C 1.555 1.166 0 C-N-CA 127.033 2.133 . . . . 10.0 113.596 -177.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1893 ' ' ALA . . . . . . . . . . . . . . . -72.35 -40.24 67.5 Favored 'General case' 0 CA--C 1.55 0.97 0 N-CA-C 115.252 1.575 . . . . 10.0 115.252 -168.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . 127.23 -156.25 20.27 Favored Glycine 0 CA--C 1.534 1.239 0 C-N-CA 124.72 1.152 . . . . 10.0 113.308 -170.299 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1895 ' ' GLU . . . . . . . . . . . . . 68.4 mt-10 -81.27 2.41 28.12 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 125.687 1.595 . . . . 10.0 115.011 -178.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1896 ' ' GLY . . . . . . . . . . . . . . . 98.55 56.76 1.02 Allowed Glycine 0 N--CA 1.471 1.031 0 C-N-CA 125.861 1.696 . . . . 10.0 114.402 -179.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1897 ' ' GLY . . . . . . . . . . . . . . . -88.44 41.53 3.06 Favored Glycine 0 CA--C 1.548 2.103 0 C-N-CA 126.061 1.791 . . . . 10.0 113.102 -177.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1898 ' ' LEU . . . . . 0.411 ' HB3' ' CD2' ' A' 1938 ' ' TYR . 0.0 OUTLIER -114.15 162.97 15.83 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.978 1.311 . . . . 10.0 113.806 -170.822 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A 1899 ' ' SER . . . . . . . . . . . . . 14.4 t -153.8 146.19 23.97 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 126.094 1.758 . . . . 10.0 111.081 175.001 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1900 ' ' LEU . . . . . . . . . . . . . 51.2 mt -107.36 153.21 23.09 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 124.671 1.188 . . . . 10.0 113.252 173.302 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1901 ' ' ALA . . . . . . . . . . . . . . . -145.43 150.19 36.07 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 125.268 1.427 . . . . 10.0 108.269 163.443 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1902 ' ' ILE . . . . . . . . . . . . . 1.1 mp -128.25 141.05 47.54 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.59 0 C-N-CA 125.973 1.709 . . . . 10.0 109.416 174.347 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1903 ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -129.92 173.66 10.48 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 126.627 1.971 . . . . 10.0 110.278 176.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1904 ' ' GLY . . . . . . . . . . . . . . . 146.88 -162.49 28.55 Favored Glycine 0 CA--C 1.538 1.514 0 O-C-N 120.959 -1.088 . . . . 10.0 111.502 -170.39 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1905 ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -72.43 -15.26 27.95 Favored 'Trans proline' 0 CA--C 1.542 0.891 0 C-N-CA 123.692 2.928 . . . . 10.0 113.135 171.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1906 ' ' SER . . . . . . . . . . . . . 12.7 t -154.43 -179.32 7.84 Favored 'General case' 0 C--O 1.246 0.91 0 C-N-CA 126.794 2.037 . . . . 10.0 110.087 -167.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1907 ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -133.63 174.68 10.17 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 126.191 1.796 . . . . 10.0 111.977 -173.246 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1908 ' ' ALA . . . . . . . . . . . . . . . -148.07 158.11 43.88 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.447 1.099 . . . . 10.0 111.198 -177.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1909 ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -89.89 102.1 14.8 Favored 'General case' 0 CA--C 1.552 1.029 0 O-C-N 120.867 -1.145 . . . . 10.0 110.461 176.07 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1910 ' ' ILE . . . . . . . . . . . . . 83.1 mt -74.34 145.73 10.83 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 126.21 1.804 . . . . 10.0 110.643 -176.248 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1911 ' ' SER . . . . . . . . . . . . . 22.8 t -144.66 155.63 43.69 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 127.881 2.472 . . . . 10.0 110.019 170.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1912 ' ' CYS . . . . . . . . . . . . . 80.5 m -139.64 152.51 46.83 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 125.984 1.714 . . . . 10.0 110.692 179.268 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1913 ' ' THR . . . . . . . . . . . . . 88.6 m -135.5 114.97 12.61 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.19 0.996 . . . . 10.0 111.848 179.3 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1914 ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -67.93 88.43 0.27 Allowed 'General case' 0 C--O 1.244 0.813 0 C-N-CA 124.492 1.117 . . . . 10.0 111.288 170.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1915 ' ' ASN . . . . . . . . . . . . . 61.4 t30 -80.52 153.61 28.02 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.197 1.399 . . . . 10.0 110.777 -173.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1916 ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -61.8 -20.05 63.2 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 127.618 2.367 . . . . 10.0 114.564 175.097 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1917 ' ' ASP . . . . . . . . . . . . . 19.3 t70 -88.37 -2.41 58.58 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 121.245 -0.909 . . . . 10.0 112.617 179.228 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1918 ' ' GLY . . . . . . . . . . . . . . . 95.71 30.31 8.11 Favored Glycine 0 CA--C 1.535 1.283 0 N-CA-C 116.097 1.199 . . . . 10.0 116.097 173.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1919 ' ' THR . . . . . . . . . . . . . 8.6 t -132.0 158.21 42.08 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 125.816 1.646 . . . . 10.0 111.997 178.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1920 ' ' CYS . . . . . . . . . . . . . 1.9 t -96.15 9.62 40.34 Favored 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 125.677 1.591 . . . . 10.0 113.818 -176.274 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1921 ' ' SER . . . . . . . . . . . . . 74.7 m 15.97 90.75 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 130.305 3.442 . . . . 10.0 116.325 175.007 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1922 ' ' VAL . . . . . . . . . . . . . 69.4 t -84.78 142.88 12.71 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 C-N-CA 125.06 1.344 . . . . 10.0 112.079 -173.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1923 ' ' SER . . . . . . . . . . . . . 27.5 t -132.9 149.0 52.29 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 125.238 1.415 . . . . 10.0 111.672 169.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1924 ' ' TYR . . . . . . . . . . . . . 18.7 p90 -152.65 170.69 19.61 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 127.032 2.133 . . . . 10.0 110.136 175.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1925 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -149.44 95.09 3.82 Favored Pre-proline 0 CA--C 1.552 1.039 0 O-C-N 121.12 -0.987 . . . . 10.0 111.133 -175.014 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1926 ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -72.6 146.34 43.63 Favored 'Trans proline' 0 C--N 1.354 0.833 0 C-N-CA 123.067 2.512 . . . . 10.0 112.354 -179.28 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1927 ' ' VAL . . . . . . . . . . . . . 35.6 m -106.51 -9.73 10.44 Favored 'Isoleucine or valine' 0 C--O 1.243 0.744 0 C-N-CA 125.339 1.456 . . . . 10.0 114.712 -179.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1928 ' ' LEU . . . . . . . . . . . . . 18.3 mt -142.25 158.21 61.64 Favored Pre-proline 0 CA--C 1.553 1.06 0 C-N-CA 125.337 1.455 . . . . 10.0 112.165 169.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1929 ' ' PRO . . . . . . . . . . . . . 9.8 Cg_exo -61.64 163.27 18.83 Favored 'Trans proline' 0 CA--C 1.545 1.031 0 C-N-CA 123.099 2.532 . . . . 10.0 112.322 172.175 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1930 ' ' GLY . . . . . . . . . . . . . . . 156.81 178.99 31.43 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 116.085 1.194 . . . . 10.0 116.085 172.197 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1931 ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -94.81 82.59 3.9 Favored 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 126.239 1.816 . . . . 10.0 108.874 174.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1932 ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -78.96 103.9 9.23 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.251 1.42 . . . . 10.0 111.966 -172.504 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1933 ' ' SER . . . . . . . . . . . . . 32.2 t -63.6 142.36 58.43 Favored 'General case' 0 CA--C 1.541 0.635 0 O-C-N 120.421 -1.424 . . . . 10.0 111.038 172.199 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1934 ' ' ILE . . . . . . . . . . . . . 5.3 mm -124.13 122.68 64.9 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 126.224 1.81 . . . . 10.0 110.764 178.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1935 ' ' LEU . . . . . . . . . . . . . 2.2 mm? -115.33 78.36 1.16 Allowed 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 127.344 2.258 . . . . 10.0 109.87 -172.13 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1936 ' ' VAL . . . . . . . . . . . . . 22.1 t -81.43 104.76 10.46 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.26 0 C-N-CA 125.47 1.508 . . . . 10.0 110.04 178.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1937 ' ' LYS . . . . . . . . . . . . . 60.9 mttp -100.16 141.21 33.3 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 123.923 0.889 . . . . 10.0 112.013 178.193 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1938 ' ' TYR . . . . . 0.411 ' CD2' ' HB3' ' A' 1898 ' ' LEU . 1.6 t80 -136.22 113.43 10.61 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 126.503 1.921 . . . . 10.0 108.113 169.148 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1939 ' ' ASN . . . . . . . . . . . . . 1.1 t30 54.83 73.13 0.43 Allowed 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.726 1.611 . . . . 10.0 113.808 -173.091 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1940 ' ' GLU . . . . . . . . . . . . . 19.7 tt0 65.58 -6.14 0.43 Allowed 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 127.906 2.482 . . . . 10.0 115.845 170.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1941 ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -140.04 164.6 29.6 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.333 1.453 . . . . 10.0 112.531 -179.306 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1942 ' ' HIS . . . . . . . . . . . . . 34.0 m170 -70.02 149.06 48.1 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 113.695 0.998 . . . . 10.0 113.695 -175.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1943 ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -70.73 167.04 30.91 Favored Pre-proline 0 C--O 1.242 0.672 0 C-N-CA 126.992 2.117 . . . . 10.0 112.061 178.795 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1944 ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -59.71 111.82 1.08 Allowed 'Trans proline' 0 CA--C 1.534 0.504 1 C-N-CA 126.129 4.553 . . . . 10.0 112.474 178.816 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1945 ' ' GLY . . . . . . . . . . . . . . . 98.52 -15.31 61.24 Favored Glycine 0 N--CA 1.476 1.334 0 C-N-CA 126.154 1.835 . . . . 10.0 115.382 -179.078 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1946 ' ' SER . . . . . . . . . . . . . 12.7 m -72.83 155.77 90.4 Favored Pre-proline 0 C--O 1.249 1.07 0 CA-C-N 118.595 1.198 . . . . 10.0 113.955 173.236 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1947 ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -73.72 167.95 77.82 Favored 'Cis proline' 0 CA--C 1.538 0.688 0 CA-C-N 119.91 1.004 . . . . 10.0 114.216 -1.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1948 ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -124.01 170.39 10.69 Favored 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 126.371 1.869 . . . . 10.0 110.882 174.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1949 ' ' THR . . . . . . . . . . . . . 28.8 m -142.1 99.87 3.61 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 125.417 1.487 . . . . 10.0 110.92 176.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1950 ' ' ALA . . . . . . . . . . . . . . . -74.91 157.47 34.98 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.139 0.976 . . . . 10.0 113.364 175.207 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1951 ' ' ARG . . . . . . . . . . . . . 39.1 ttp180 -120.68 87.18 2.7 Favored 'General case' 0 C--N 1.348 0.501 0 C-N-CA 125.472 1.509 . . . . 10.0 113.108 177.111 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1952 ' ' VAL . . . . . . . . . . . . . 2.1 t -65.1 93.47 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 126.951 2.1 . . . . 10.0 108.771 169.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1953 ' ' THR . . . . . . . . . . . . . 11.3 t -68.69 -32.24 71.91 Favored 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 115.88 1.807 . . . . 10.0 115.88 -167.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1954 ' ' GLY . . . . . . . . . . . . . . . 66.82 -174.27 25.29 Favored Glycine 0 CA--C 1.546 1.977 0 C-N-CA 124.995 1.283 . . . . 10.0 116.202 -178.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1955 ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -137.64 -43.38 0.54 Allowed 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 125.166 1.386 . . . . 10.0 113.586 -171.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1956 ' ' ASP . . . . . . . . . . . . . 33.3 t70 . . . . . 0 C--O 1.254 1.312 0 C-N-CA 125.517 1.527 . . . . 10.0 113.294 -177.428 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.727 0 N-CA-C 111.639 -0.584 . . . . 10.0 111.639 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' -3' ' ' ALA . . . . . . . . . . . . . . . -69.19 161.83 28.35 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 123.962 0.905 . . . . 10.0 113.198 177.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 57.2 mtt -132.81 -176.24 4.04 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 127.224 2.209 . . . . 10.0 110.445 173.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -1' ' ' VAL . . . . . . . . . . . . . 24.3 m -50.74 130.67 10.63 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.132 0 C-N-CA 125.081 1.352 . . . . 10.0 114.569 -173.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1863 ' ' VAL . . . . . . . . . . . . . 4.5 p -85.72 7.01 2.23 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 C-N-CA 126.821 2.048 . . . . 10.0 113.409 -179.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1864 ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -56.53 155.72 6.97 Favored 'General case' 0 CA--C 1.561 1.379 0 C-N-CA 126.998 2.119 . . . . 10.0 112.811 -178.172 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1865 ' ' CYS . . . . . . . . . . . . . 74.3 m -62.04 172.24 1.46 Allowed 'General case' 0 CA--C 1.552 1.052 0 C-N-CA 127.14 2.176 . . . . 10.0 114.549 -177.371 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1866 ' ' GLY . . . . . . . . . . . . . . . -139.06 61.53 0.57 Allowed Glycine 0 CA--C 1.534 1.239 0 C-N-CA 125.096 1.332 . . . . 10.0 111.94 178.428 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1867 ' ' HIS . . . . . . . . . . . . . 34.4 p80 -63.59 168.58 4.61 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.833 1.253 . . . . 10.0 112.538 176.475 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1868 ' ' VAL . . . . . . . . . . . . . 9.0 p -64.2 137.83 24.13 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 O-C-N 120.716 -1.24 . . . . 10.0 111.471 169.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1869 ' ' THR . . . . . . . . . . . . . 18.2 m -138.91 153.09 48.23 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.979 1.312 . . . . 10.0 110.484 -177.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1870 ' ' ALA . . . . . . . . . . . . . . . -123.84 126.78 47.04 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 126.375 1.87 . . . . 10.0 109.654 168.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1871 ' ' TYR . . . . . . . . . . . . . 54.2 p90 -149.36 156.39 41.98 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.251 1.02 . . . . 10.0 113.708 -175.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1872 ' ' GLY . . . . . . . . . . . . . . . 139.13 173.45 13.04 Favored Glycine 0 CA--C 1.534 1.266 0 C-N-CA 126.36 1.933 . . . . 10.0 115.073 179.371 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1873 ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -69.79 -24.81 29.12 Favored 'Trans proline' 0 C--N 1.351 0.665 0 C-N-CA 123.108 2.538 . . . . 10.0 112.609 179.415 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1874 ' ' GLY . . . . . . . . . . . . . . . -69.84 -7.73 59.49 Favored Glycine 0 CA--C 1.534 1.27 0 N-CA-C 116.022 1.169 . . . . 10.0 116.022 -178.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1875 ' ' LEU . . . . . . . . . . . . . 65.2 mt -87.2 -16.01 36.56 Favored 'General case' 0 CA--C 1.554 1.116 0 CA-C-N 119.022 1.411 . . . . 10.0 113.864 174.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1876 ' ' THR . . . . . . . . . . . . . 40.0 p -127.86 -30.65 2.48 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 125.022 1.329 . . . . 10.0 113.607 -171.531 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1877 ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -132.71 -179.81 5.69 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 125.648 1.579 . . . . 10.0 111.332 177.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1878 ' ' GLY . . . . . . . . . . . . . . . -168.8 177.01 42.86 Favored Glycine 0 CA--C 1.543 1.804 0 O-C-N 121.041 -1.037 . . . . 10.0 112.665 171.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1879 ' ' VAL . . . . . . . . . . . . . 7.4 p -136.49 134.18 49.34 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 124.673 1.189 . . . . 10.0 111.65 167.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1880 ' ' VAL . . . . . . . . . . . . . 31.8 t -80.7 144.77 10.06 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 126.214 1.806 . . . . 10.0 111.797 -168.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1881 ' ' ASN . . . . . . . . . . . . . 2.1 m-80 66.79 10.14 7.3 Favored 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 126.409 1.883 . . . . 10.0 114.523 178.185 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1882 ' ' LYS . . . . . . . . . . . . . 35.9 tptt -134.48 145.57 55.7 Favored Pre-proline 0 N--CA 1.472 0.656 0 C-N-CA 127.81 2.444 . . . . 10.0 109.829 173.402 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1883 ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -55.06 140.57 80.31 Favored 'Trans proline' 0 C--O 1.238 0.492 0 C-N-CA 123.45 2.767 . . . . 10.0 115.411 -175.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1884 ' ' ALA . . . . . . . . . . . . . . . -121.11 151.23 40.12 Favored 'General case' 0 C--O 1.242 0.699 0 C-N-CA 125.765 1.626 . . . . 10.0 110.997 173.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1885 ' ' THR . . . . . . . . . . . . . 58.9 p -150.25 160.85 43.39 Favored 'General case' 0 N--CA 1.483 1.196 0 O-C-N 121.295 -0.878 . . . . 10.0 113.032 -170.42 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1886 ' ' PHE . . . . . . . . . . . . . 39.1 p90 -149.5 151.34 33.77 Favored 'General case' 0 C--O 1.24 0.575 0 C-N-CA 125.176 1.391 . . . . 10.0 110.302 165.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1887 ' ' THR . . . . . . . . . . . . . 47.9 m -91.05 138.3 31.71 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 124.584 1.154 . . . . 10.0 110.807 179.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1888 ' ' VAL . . . . . . . . . . . . . 1.6 m -127.47 148.37 32.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 125.529 1.531 . . . . 10.0 109.352 169.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1889 ' ' ASN . . . . . . . . . . . . . 26.2 t30 -133.58 96.69 3.75 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 125.684 1.594 . . . . 10.0 111.913 -168.13 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1890 ' ' THR . . . . . . . . . . . . . 7.9 p -91.74 13.63 17.63 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 125.537 1.535 . . . . 10.0 113.759 -171.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1891 ' ' LYS . . . . . . . . . . . . . 53.7 mtpt -61.6 123.69 18.61 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 125.858 1.663 . . . . 10.0 112.481 -177.421 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 29.2 t70 50.54 20.69 0.74 Allowed 'General case' 0 CA--C 1.555 1.152 0 C-N-CA 126.426 1.89 . . . . 10.0 115.86 -176.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1893 ' ' ALA . . . . . . . . . . . . . . . -69.24 -24.27 63.98 Favored 'General case' 0 CA--C 1.551 0.981 0 N-CA-C 114.947 1.462 . . . . 10.0 114.947 -174.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . 146.3 -168.73 27.73 Favored Glycine 0 CA--C 1.536 1.402 0 C-N-CA 124.906 1.241 . . . . 10.0 111.682 -174.082 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1895 ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -68.43 -6.93 27.48 Favored 'General case' 0 CA--C 1.552 1.052 0 N-CA-C 115.148 1.536 . . . . 10.0 115.148 177.001 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1896 ' ' GLY . . . . . . . . . . . . . . . 125.08 178.68 15.41 Favored Glycine 0 CA--C 1.534 1.265 0 C-N-CA 127.27 2.367 . . . . 10.0 112.716 -175.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1897 ' ' GLY . . . . . . . . . . . . . . . 130.84 3.04 4.62 Favored Glycine 0 N--CA 1.477 1.38 0 CA-C-O 118.174 -1.348 . . . . 10.0 115.44 175.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1898 ' ' LEU . . . . . . . . . . . . . 3.1 tm? -59.61 117.14 4.58 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 119.093 1.446 . . . . 10.0 111.129 174.286 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1899 ' ' SER . . . . . . . . . . . . . 21.3 t -151.06 147.16 26.76 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.969 1.308 . . . . 10.0 111.321 176.019 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1900 ' ' LEU . . . . . . . . . . . . . 3.3 pp -158.63 168.14 27.69 Favored 'General case' 0 N--CA 1.446 -0.638 0 N-CA-C 114.387 1.254 . . . . 10.0 114.387 -173.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1901 ' ' ALA . . . . . . . . . . . . . . . -155.43 167.58 29.9 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.036 1.334 . . . . 10.0 112.216 168.477 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1902 ' ' ILE . . . . . . . . . . . . . 2.4 mp -123.77 120.8 60.75 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 C-N-CA 125.502 1.521 . . . . 10.0 108.616 179.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1903 ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -89.74 178.63 6.2 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 126.004 1.722 . . . . 10.0 110.852 169.318 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1904 ' ' GLY . . . . . . . . . . . . . . . 158.68 -169.18 35.03 Favored Glycine 0 CA--C 1.539 1.576 0 C-N-CA 125.237 1.398 . . . . 10.0 113.053 -179.176 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1905 ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -70.49 -19.12 33.05 Favored 'Trans proline' 0 CA--C 1.546 1.096 0 C-N-CA 122.611 2.207 . . . . 10.0 112.001 173.527 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1906 ' ' SER . . . . . . . . . . . . . 20.2 t -147.87 118.13 7.34 Favored 'General case' 0 C--O 1.234 0.271 0 C-N-CA 129.987 3.315 . . . . 10.0 109.162 -169.477 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1907 ' ' LYS . . . . . . . . . . . . . 64.4 mmtt -64.05 110.86 2.29 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 127.126 2.17 . . . . 10.0 111.822 -171.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1908 ' ' ALA . . . . . . . . . . . . . . . -67.72 150.06 49.17 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.09 1.356 . . . . 10.0 112.63 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1909 ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -85.78 102.35 13.59 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.271 1.428 . . . . 10.0 110.87 174.145 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1910 ' ' ILE . . . . . . . . . . . . . 20.9 mm -77.4 131.03 35.54 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.782 0 C-N-CA 124.553 1.141 . . . . 10.0 110.396 -173.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1911 ' ' SER . . . . . . . . . . . . . 8.4 t -146.73 169.98 17.93 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 127.553 2.341 . . . . 10.0 113.249 169.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1912 ' ' CYS . . . . . . . . . . . . . 27.6 p -149.59 164.61 34.65 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.979 1.311 . . . . 10.0 112.02 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1913 ' ' THR . . . . . . . . . . . . . 31.8 m -127.02 122.28 33.99 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.501 1.12 . . . . 10.0 111.601 -175.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1914 ' ' ASP . . . . . . . . . . . . . 34.6 t70 -71.31 135.58 47.45 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 123.647 0.779 . . . . 10.0 112.822 168.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1915 ' ' ASN . . . . . . . . . . . . . 28.3 m120 -139.41 159.71 41.52 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 125.377 1.471 . . . . 10.0 112.305 173.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1916 ' ' GLN . . . . . . . . . . . . . 18.2 tt0 -54.95 -46.15 74.96 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 128.074 2.549 . . . . 10.0 114.536 -174.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1917 ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -89.98 0.6 57.0 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 114.599 1.333 . . . . 10.0 114.599 -167.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1918 ' ' GLY . . . . . . . . . . . . . . . 98.13 36.48 4.67 Favored Glycine 0 CA--C 1.534 1.225 0 N-CA-C 115.589 0.996 . . . . 10.0 115.589 171.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1919 ' ' THR . . . . . . . . . . . . . 47.1 p -100.64 157.29 16.79 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 125.984 1.714 . . . . 10.0 112.276 167.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1920 ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -122.57 20.7 10.28 Favored 'General case' 0 CA--C 1.56 1.342 0 C-N-CA 124.863 1.265 . . . . 10.0 113.7 -176.749 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1921 ' ' SER . . . . . . . . . . . . . 67.4 m -22.19 108.2 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 129.556 3.142 . . . . 10.0 116.109 -171.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1922 ' ' VAL . . . . . . . . . . . . . 93.7 t -82.58 136.56 22.66 Favored 'Isoleucine or valine' 0 C--O 1.245 0.861 0 C-N-CA 126.882 2.073 . . . . 10.0 110.451 -173.595 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1923 ' ' SER . . . . . . . . . . . . . 67.3 m -135.14 127.53 30.4 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 125.749 1.619 . . . . 10.0 111.976 -172.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1924 ' ' TYR . . . . . . . . . . . . . 29.6 p90 -151.22 -178.05 6.41 Favored 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 124.951 1.3 . . . . 10.0 112.002 -177.357 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1925 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -145.67 96.79 4.7 Favored Pre-proline 0 CA--C 1.551 1.005 0 C-N-CA 125.614 1.566 . . . . 10.0 111.645 -174.198 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1926 ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -71.14 121.92 8.27 Favored 'Trans proline' 0 C--O 1.242 0.679 0 C-N-CA 123.64 2.894 . . . . 10.0 110.269 176.074 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1927 ' ' VAL . . . . . . . . . . . . . 25.5 m -106.06 -0.77 9.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 N-CA-C 114.345 1.239 . . . . 10.0 114.345 -171.535 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1928 ' ' LEU . . . . . . . . . . . . . 4.3 tt -153.17 131.62 6.52 Favored Pre-proline 0 N--CA 1.478 0.961 0 C-N-CA 124.723 1.209 . . . . 10.0 110.576 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1929 ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -51.25 133.34 41.83 Favored 'Trans proline' 0 CA--C 1.544 0.999 0 C-N-CA 124.402 3.401 . . . . 10.0 113.279 -178.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1930 ' ' GLY . . . . . . . . . . . . . . . -178.25 -178.11 47.44 Favored Glycine 0 N--CA 1.465 0.606 0 N-CA-C 117.6 1.8 . . . . 10.0 117.6 -171.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1931 ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -105.2 88.51 2.88 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 126.791 2.036 . . . . 10.0 108.673 176.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1932 ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -84.01 93.01 7.98 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.698 1.199 . . . . 10.0 110.835 -173.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1933 ' ' SER . . . . . . . . . . . . . 58.8 m -65.56 124.57 22.69 Favored 'General case' 0 C--N 1.328 -0.363 0 O-C-N 121.486 -0.759 . . . . 10.0 112.11 176.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1934 ' ' ILE . . . . . . . . . . . . . 5.1 mm -95.68 126.93 48.1 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.811 0 C-N-CA 124.422 1.089 . . . . 10.0 110.04 176.342 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1935 ' ' LEU . . . . . . . . . . . . . 3.4 mm? -113.16 94.85 5.08 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 126.279 1.831 . . . . 10.0 109.454 -179.435 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1936 ' ' VAL . . . . . . . . . . . . . 15.5 t -107.62 134.64 48.78 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.387 0 C-N-CA 124.509 1.124 . . . . 10.0 111.14 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1937 ' ' LYS . . . . . . . . . . . . . 98.8 mttt -130.49 155.86 45.76 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 125.828 1.651 . . . . 10.0 111.862 176.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1938 ' ' TYR . . . . . . . . . . . . . 26.2 t80 -138.39 105.16 5.36 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 126.765 2.026 . . . . 10.0 110.636 168.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1939 ' ' ASN . . . . . . . . . . . . . 1.1 t30 53.53 79.76 0.12 Allowed 'General case' 0 CA--C 1.562 1.427 0 C-N-CA 126.688 1.995 . . . . 10.0 112.475 -175.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1940 ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 64.1 -4.77 0.36 Allowed 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 128.851 2.86 . . . . 10.0 117.544 173.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1941 ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -128.5 149.92 50.38 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.554 1.541 . . . . 10.0 110.34 -176.324 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1942 ' ' HIS . . . . . . . . . . . . . 88.4 m-70 -70.69 153.13 43.11 Favored 'General case' 0 C--N 1.346 0.423 0 CA-C-O 121.948 0.88 . . . . 10.0 112.864 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1943 ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -72.53 164.63 58.45 Favored Pre-proline 0 CA--C 1.547 0.84 0 C-N-CA 125.349 1.46 . . . . 10.0 112.267 -179.092 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1944 ' ' PRO . . . . . . . . . . . . . 40.1 Cg_exo -53.36 114.02 1.56 Allowed 'Trans proline' 0 CA--C 1.545 1.03 0 C-N-CA 124.641 3.56 . . . . 10.0 112.846 179.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1945 ' ' GLY . . . . . . . . . . . . . . . 87.44 -7.95 78.95 Favored Glycine 0 CA--C 1.549 2.165 0 C-N-CA 125.173 1.368 . . . . 10.0 115.446 177.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1946 ' ' SER . . . . . . . . . . . . . 4.1 m -66.2 152.78 93.54 Favored Pre-proline 0 N--CA 1.471 0.604 0 CA-C-N 118.609 1.205 . . . . 10.0 113.172 174.648 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1947 ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -74.48 165.07 86.47 Favored 'Cis proline' 0 C--N 1.355 0.88 0 CA-C-O 122.2 0.833 . . . . 10.0 113.465 -3.307 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1948 ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -114.57 166.5 11.65 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 126.05 1.74 . . . . 10.0 109.862 174.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1949 ' ' THR . . . . . . . . . . . . . 31.6 m -140.01 102.13 4.32 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 125.002 1.321 . . . . 10.0 111.75 -179.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1950 ' ' ALA . . . . . . . . . . . . . . . -93.13 111.48 23.13 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.704 1.201 . . . . 10.0 112.478 -173.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1951 ' ' ARG . . . . . . . . . . . . . 12.8 ttt180 -88.88 81.04 6.99 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 113.243 0.831 . . . . 10.0 113.243 -178.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1952 ' ' VAL . . . . . . . . . . . . . 2.7 t -56.12 112.65 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.928 0 C-N-CA 129.117 2.967 . . . . 10.0 112.625 171.457 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1953 ' ' THR . . . . . . . . . . . . . 33.3 m -87.72 147.26 25.3 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 125.081 1.352 . . . . 10.0 110.217 177.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1954 ' ' GLY . . . . . . . . . . . . . . . -66.8 172.17 29.34 Favored Glycine 0 C--N 1.346 1.137 0 O-C-N 121.269 -0.894 . . . . 10.0 114.403 173.221 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1955 ' ' ASP . . . . . . . . . . . . . 36.1 t70 -134.18 -71.99 0.49 Allowed 'General case' 0 CA--C 1.559 1.304 0 C-N-CA 124.354 1.062 . . . . 10.0 113.6 -175.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1956 ' ' ASP . . . . . . . . . . . . . 35.2 t70 . . . . . 0 C--O 1.251 1.155 0 C-N-CA 124.723 1.209 . . . . 10.0 113.73 175.296 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.606 0 N-CA-C 111.011 -0.836 . . . . 10.0 111.011 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' -3' ' ' ALA . . . . . . . . . . . . . . . -66.43 162.85 19.61 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 123.598 0.759 . . . . 10.0 112.699 176.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 78.1 mtm -134.23 163.07 30.44 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 126.41 1.884 . . . . 10.0 111.465 179.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -1' ' ' VAL . . . . . . . . . . . . . 2.9 t 64.35 -0.45 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.388 0 C-N-CA 126.13 1.772 . . . . 10.0 114.372 -176.374 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1863 ' ' VAL . . . . . . . . . . . . . 22.6 m -59.51 -16.57 10.72 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.282 0 O-C-N 119.645 -1.909 . . . . 10.0 116.092 -176.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1864 ' ' ASN . . . . . . . . . . . . . 36.4 m120 -106.16 8.99 32.36 Favored 'General case' 0 CA--C 1.555 1.141 0 C-N-CA 124.934 1.294 . . . . 10.0 113.671 179.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1865 ' ' CYS . . . . . . . . . . . . . 36.6 t -64.59 100.39 0.38 Allowed 'General case' 0 CA--C 1.55 0.969 0 O-C-N 121.093 -1.004 . . . . 10.0 112.331 -176.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1866 ' ' GLY . . . . . . . . . . . . . . . 78.31 -19.36 4.7 Favored Glycine 0 CA--C 1.543 1.799 0 C-N-CA 126.875 2.179 . . . . 10.0 117.592 171.513 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1867 ' ' HIS . . . . . . . . . . . . . 21.7 t-80 -75.88 141.14 42.45 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 119.451 1.625 . . . . 10.0 112.583 -176.597 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1868 ' ' VAL . . . . . . . . . . . . . 10.8 m -77.72 159.72 4.85 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 124.522 1.129 . . . . 10.0 109.964 176.082 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1869 ' ' THR . . . . . . . . . . . . . 63.2 p -141.71 169.22 18.01 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 120.221 -1.55 . . . . 10.0 110.511 -172.117 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1870 ' ' ALA . . . . . . . . . . . . . . . -126.17 137.29 53.55 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.875 1.67 . . . . 10.0 109.517 179.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1871 ' ' TYR . . . . . . . . . . . . . 14.5 p90 -156.16 152.18 27.57 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.698 1.199 . . . . 10.0 112.058 -179.081 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1872 ' ' GLY . . . . . . . . . . . . . . . 144.5 175.41 17.62 Favored Glycine 0 N--CA 1.475 1.253 0 O-C-N 120.69 -1.256 . . . . 10.0 112.719 176.094 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1873 ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -64.66 -34.08 52.63 Favored 'Trans proline' 0 CA--C 1.532 0.405 0 C-N-CA 123.82 3.013 . . . . 10.0 113.149 -174.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1874 ' ' GLY . . . . . . . . . . . . . . . -67.12 -7.75 46.01 Favored Glycine 0 CA--C 1.531 1.046 0 C-N-CA 125.724 1.631 . . . . 10.0 116.121 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1875 ' ' LEU . . . . . . . . . . . . . 24.2 mt -95.19 -3.8 47.1 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 118.827 1.314 . . . . 10.0 112.768 169.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1876 ' ' THR . . . . . . . . . . . . . 69.9 m -121.99 -48.72 2.11 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 126.195 1.798 . . . . 10.0 111.432 -170.187 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1877 ' ' HIS . . . . . . . . . . . . . 14.8 p80 -142.92 -179.44 6.36 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 126.417 1.887 . . . . 10.0 111.461 178.098 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1878 ' ' GLY . . . . . . . . . . . . . . . -168.1 176.94 42.49 Favored Glycine 0 N--CA 1.472 1.033 0 C-N-CA 124.636 1.112 . . . . 10.0 114.078 176.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1879 ' ' VAL . . . . . . . . . . . . . 12.6 p -134.82 145.45 32.36 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.799 0 C-N-CA 125.453 1.501 . . . . 10.0 110.508 171.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1880 ' ' VAL . . . . . . . . . . . . . 65.6 t -85.55 146.76 6.11 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 C-N-CA 125.296 1.439 . . . . 10.0 113.522 -171.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1881 ' ' ASN . . . . . . . . . . . . . 77.0 m-20 54.58 18.05 1.88 Allowed 'General case' 0 CA--C 1.557 1.246 0 C-N-CA 127.727 2.411 . . . . 10.0 114.654 -177.348 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1882 ' ' LYS . . . . . . . . . . . . . 37.3 tptt -137.54 145.21 48.16 Favored Pre-proline 0 N--CA 1.475 0.82 0 C-N-CA 127.517 2.327 . . . . 10.0 110.359 171.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1883 ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -58.31 141.76 97.08 Favored 'Trans proline' 0 N--CA 1.459 -0.529 0 C-N-CA 124.66 3.573 . . . . 10.0 114.229 -175.134 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1884 ' ' ALA . . . . . . . . . . . . . . . -128.61 156.17 43.81 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 125.836 1.654 . . . . 10.0 110.976 172.141 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1885 ' ' THR . . . . . . . . . . . . . 28.3 p -151.71 162.91 40.22 Favored 'General case' 0 N--CA 1.469 0.525 0 N-CA-C 114.56 1.319 . . . . 10.0 114.56 -169.211 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1886 ' ' PHE . . . . . . . . . . . . . 43.7 p90 -148.57 178.77 8.34 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.26 1.424 . . . . 10.0 110.514 168.382 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1887 ' ' THR . . . . . . . . . . . . . 92.5 m -125.59 137.29 53.9 Favored 'General case' 0 N--CA 1.463 0.223 0 C-N-CA 124.605 1.162 . . . . 10.0 111.402 -173.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1888 ' ' VAL . . . . . 0.442 ' CG2' ' HB3' ' A' 1920 ' ' CYS . 5.9 m -125.41 146.33 31.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 C-N-CA 125.351 1.46 . . . . 10.0 107.875 165.603 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1889 ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -126.77 88.56 2.84 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 125.198 1.399 . . . . 10.0 108.245 -177.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1890 ' ' THR . . . . . . . . . . . . . 44.8 p -104.69 74.19 1.13 Allowed 'General case' 0 C--O 1.241 0.649 0 N-CA-C 113.811 1.041 . . . . 10.0 113.811 -166.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1891 ' ' LYS . . . . . . . . . . . . . 51.1 mtpt -107.49 -72.25 0.73 Allowed 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 125.158 1.383 . . . . 10.0 112.288 -175.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 19.8 t70 -64.72 -19.82 65.98 Favored 'General case' 0 N--CA 1.485 1.29 0 N-CA-C 116.059 1.874 . . . . 10.0 116.059 -169.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1893 ' ' ALA . . . . . . . . . . . . . . . -65.41 -8.14 17.4 Favored 'General case' 0 CA--C 1.555 1.148 0 N-CA-C 114.652 1.353 . . . . 10.0 114.652 169.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . 106.74 35.33 2.83 Favored Glycine 0 CA--C 1.537 1.45 0 C-N-CA 124.95 1.262 . . . . 10.0 112.823 178.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1895 ' ' GLU . . . . . . . . . . . . 0.301 5.7 pt-20 49.14 19.29 0.29 Allowed 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 129.948 3.299 . . . . 10.0 117.463 172.78 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1896 ' ' GLY . . . . . . . . . . . . . . . 171.71 164.73 27.81 Favored Glycine 0 CA--C 1.522 0.527 0 C-N-CA 125.664 1.602 . . . . 10.0 114.323 171.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1897 ' ' GLY . . . . . . . . . . . . . . . 127.39 16.76 2.27 Favored Glycine 0 N--CA 1.478 1.45 0 C-N-CA 125.147 1.356 . . . . 10.0 116.007 -179.098 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1898 ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -116.92 161.47 19.29 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 126.405 1.882 . . . . 10.0 114.408 -168.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1899 ' ' SER . . . . . . . . . . . . . 20.3 t -158.16 155.74 29.63 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.633 1.573 . . . . 10.0 110.574 173.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1900 ' ' LEU . . . . . . . . . . . . . 4.1 pp -146.9 170.59 16.75 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 114.257 1.206 . . . . 10.0 114.257 173.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1901 ' ' ALA . . . . . . . . . . . . . . . -149.15 166.49 28.65 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.577 1.551 . . . . 10.0 111.994 170.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1902 ' ' ILE . . . . . . . . . . . . . 1.5 mp -120.09 131.42 72.5 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 124.087 0.955 . . . . 10.0 109.617 174.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1903 ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -110.49 173.64 6.23 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 127.448 2.299 . . . . 10.0 110.327 170.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1904 ' ' GLY . . . . . . . . . . . . . . . 157.28 -167.08 33.86 Favored Glycine 0 N--CA 1.481 1.641 0 C-N-CA 124.78 1.181 . . . . 10.0 112.889 -175.059 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1905 ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -72.16 -17.56 27.84 Favored 'Trans proline' 0 CA--C 1.537 0.657 0 C-N-CA 122.685 2.257 . . . . 10.0 112.396 172.015 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1906 ' ' SER . . . . . . . . . . . . . 19.1 t -146.96 179.07 7.86 Favored 'General case' 0 C--O 1.245 0.859 0 C-N-CA 129.699 3.2 . . . . 10.0 107.73 -167.165 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1907 ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -122.65 166.19 15.29 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.263 1.025 . . . . 10.0 113.262 -173.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1908 ' ' ALA . . . . . . . . . . . . . . . -146.94 -179.27 6.69 Favored 'General case' 0 CA--C 1.56 1.333 0 C-N-CA 127.156 2.182 . . . . 10.0 110.754 178.304 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1909 ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -123.8 122.12 37.22 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.683 1.193 . . . . 10.0 110.91 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1910 ' ' ILE . . . . . . . . . . . . . 1.6 mp -71.02 120.91 19.83 Favored 'Isoleucine or valine' 0 C--O 1.24 0.589 0 C-N-CA 125.814 1.646 . . . . 10.0 110.279 -178.109 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1911 ' ' SER . . . . . . . . . . . . . 58.1 m -129.16 88.06 2.65 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.799 1.24 . . . . 10.0 111.419 179.038 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1912 ' ' CYS . . . . . . . . . . . . . 25.0 p -63.71 155.13 30.98 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.748 1.619 . . . . 10.0 114.338 174.056 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1913 ' ' THR . . . . . . . . . . . . . 4.2 m -131.79 84.53 2.17 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 125.012 1.325 . . . . 10.0 110.564 178.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1914 ' ' ASP . . . . . . . . . . . . . 21.9 t70 -72.7 98.36 2.36 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 126.549 1.94 . . . . 10.0 111.506 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1915 ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -105.19 159.24 16.02 Favored 'General case' 0 C--O 1.242 0.686 0 C-N-CA 124.734 1.213 . . . . 10.0 110.663 178.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1916 ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -64.01 -16.72 62.28 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 125.506 1.522 . . . . 10.0 114.667 -174.092 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1917 ' ' ASP . . . . . . . . . . . . . 33.6 t70 -79.59 -13.91 59.19 Favored 'General case' 0 CA--C 1.555 1.159 0 C-N-CA 125.606 1.562 . . . . 10.0 112.603 178.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1918 ' ' GLY . . . . . . . . . . . . . . . 109.4 8.67 26.61 Favored Glycine 0 CA--C 1.535 1.311 0 C-N-CA 125.197 1.379 . . . . 10.0 114.608 174.389 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1919 ' ' THR . . . . . . . . . . . . . 68.4 p -83.66 152.53 24.72 Favored 'General case' 0 N--CA 1.478 0.931 0 O-C-N 120.754 -1.439 . . . . 10.0 112.493 176.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1920 ' ' CYS . . . . . 0.442 ' HB3' ' CG2' ' A' 1888 ' ' VAL . 0.5 OUTLIER -112.85 -4.79 13.92 Favored 'General case' 0 CA--C 1.556 1.184 0 N-CA-C 114.433 1.271 . . . . 10.0 114.433 172.418 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A 1921 ' ' SER . . . . . . . . . . . . . 74.7 m 13.63 86.2 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 131.269 3.828 . . . . 10.0 116.511 172.268 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1922 ' ' VAL . . . . . . . . . . . . . 55.3 t -80.87 121.84 35.05 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 C-N-CA 124.889 1.276 . . . . 10.0 112.245 -178.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1923 ' ' SER . . . . . . . . . . . . . 39.3 m -95.99 154.07 17.43 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 126.22 1.808 . . . . 10.0 109.279 168.188 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1924 ' ' TYR . . . . . . . . . . . . . 11.8 p90 -149.17 175.43 11.38 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 127.426 2.291 . . . . 10.0 109.999 171.677 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1925 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -152.45 85.08 4.59 Favored Pre-proline 0 CA--C 1.556 1.178 0 O-C-N 119.837 -1.789 . . . . 10.0 110.868 -170.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1926 ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -71.68 121.82 8.01 Favored 'Trans proline' 0 CA--C 1.539 0.77 0 C-N-CA 124.039 3.159 . . . . 10.0 111.723 -170.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1927 ' ' VAL . . . . . . . . . . . . . 27.5 m -78.39 -17.73 13.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 N-CA-C 114.406 1.261 . . . . 10.0 114.406 -178.257 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1928 ' ' LEU . . . . . . . . . . . . . 17.7 mt -138.95 160.33 63.27 Favored Pre-proline 0 CA--C 1.551 0.985 0 C-N-CA 127.093 2.157 . . . . 10.0 111.352 171.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1929 ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -72.01 164.16 36.52 Favored 'Trans proline' 0 CA--C 1.534 0.501 0 C-N-CA 123.893 3.062 . . . . 10.0 111.608 176.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1930 ' ' GLY . . . . . . . . . . . . . . . 159.35 179.11 33.94 Favored Glycine 0 C--N 1.346 1.093 0 N-CA-C 115.713 1.045 . . . . 10.0 115.713 173.113 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1931 ' ' ASP . . . . . . . . . . . . . 15.4 p-10 -88.48 74.34 8.56 Favored 'General case' 0 C--O 1.242 0.679 0 C-N-CA 126.679 1.992 . . . . 10.0 109.937 169.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1932 ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -67.27 153.98 42.38 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 121.593 -0.692 . . . . 10.0 111.156 172.223 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1933 ' ' SER . . . . . . . . . . . . . 23.2 t -130.58 130.68 44.35 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 125.689 1.596 . . . . 10.0 109.872 -177.104 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1934 ' ' ILE . . . . . . . . . . . . . 5.7 mm -102.55 108.97 25.27 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 C-N-CA 124.627 1.171 . . . . 10.0 110.197 -174.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1935 ' ' LEU . . . . . . . . . . . . . 3.8 mm? -96.3 99.57 11.26 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 126.03 1.732 . . . . 10.0 110.46 -178.482 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1936 ' ' VAL . . . . . . . . . . . . . 21.0 t -111.82 134.69 53.46 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.376 0 C-N-CA 124.212 1.005 . . . . 10.0 110.884 -175.115 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1937 ' ' LYS . . . . . . . . . . . . . 94.0 mttt -128.63 154.74 45.94 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 126.303 1.841 . . . . 10.0 113.974 176.092 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1938 ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -135.9 125.3 24.92 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.485 1.514 . . . . 10.0 107.624 168.113 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1939 ' ' ASN . . . . . . . . . . . . . 52.7 t30 41.41 59.14 2.47 Favored 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 127.266 2.227 . . . . 10.0 113.817 -171.094 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1940 ' ' GLU . . . . . . . . . . . . . 7.0 tp10 66.51 -3.66 0.83 Allowed 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 128.258 2.623 . . . . 10.0 116.327 177.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1941 ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -110.42 141.28 43.72 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 125.031 1.332 . . . . 10.0 111.75 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1942 ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -67.06 150.75 48.77 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-N 119.772 1.169 . . . . 10.0 113.843 -176.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1943 ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -72.62 166.08 45.72 Favored Pre-proline 0 N--CA 1.477 0.908 0 C-N-CA 125.57 1.548 . . . . 10.0 113.55 -175.792 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1944 ' ' PRO . . . . . . . . . . . . . 44.5 Cg_exo -58.63 109.46 0.52 Allowed 'Trans proline' 0 CA--C 1.549 1.24 0 C-N-CA 125.206 3.938 . . . . 10.0 113.052 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1945 ' ' GLY . . . . . . . . . . . . . . . 86.56 2.14 85.09 Favored Glycine 0 CA--C 1.544 1.874 0 N-CA-C 115.814 1.086 . . . . 10.0 115.814 -178.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1946 ' ' SER . . . . . . . . . . . . . 2.8 m -67.04 153.54 94.34 Favored Pre-proline 0 N--CA 1.478 0.958 0 CA-C-N 119.636 1.718 . . . . 10.0 112.82 174.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1947 ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -75.17 161.51 94.59 Favored 'Cis proline' 0 C--N 1.362 1.247 0 N-CA-C 113.721 0.624 . . . . 10.0 113.721 -10.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1948 ' ' PHE . . . . . . . . . . . . . 78.9 m-85 -100.01 169.1 9.42 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 125.626 1.57 . . . . 10.0 111.87 172.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1949 ' ' THR . . . . . . . . . . . . . 29.9 m -141.41 111.02 6.46 Favored 'General case' 0 N--CA 1.488 1.455 0 CA-C-N 119.83 1.196 . . . . 10.0 112.406 -173.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1950 ' ' ALA . . . . . . . . . . . . . . . -106.92 129.81 54.68 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.325 1.45 . . . . 10.0 111.781 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1951 ' ' ARG . . . . . . . . . . . . . 29.1 ptt180 -98.49 22.46 9.78 Favored 'General case' 0 N--CA 1.493 1.706 0 N-CA-C 116.504 2.039 . . . . 10.0 116.504 -168.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1952 ' ' VAL . . . . . . . . . . . . . 17.3 t -8.43 104.07 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 131.458 3.903 . . . . 10.0 114.767 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1953 ' ' THR . . . . . . . . . . . . . 25.6 m -82.74 132.28 35.18 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.276 1.431 . . . . 10.0 111.971 -178.031 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1954 ' ' GLY . . . . . . . . . . . . . . . -88.71 160.21 29.92 Favored Glycine 0 N--CA 1.467 0.756 0 C-N-CA 124.491 1.043 . . . . 10.0 112.55 177.17 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1955 ' ' ASP . . . . . . . . . . . . . 32.5 t70 -144.27 -46.3 0.26 Allowed 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 124.302 1.041 . . . . 10.0 113.517 179.107 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1956 ' ' ASP . . . . . . . . . . . . . 34.4 t70 . . . . . 0 C--O 1.257 1.496 0 C-N-CA 125.208 1.403 . . . . 10.0 114.19 175.081 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.784 0 N-CA-C 112.005 -0.438 . . . . 10.0 112.005 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' -3' ' ' ALA . . . . . . . . . . . . . . . -75.34 171.19 14.65 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 124.784 1.234 . . . . 10.0 112.948 179.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -62.64 -9.25 8.36 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 125.354 1.462 . . . . 10.0 114.538 -177.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -1' ' ' VAL . . . . . . . . . . . . . 7.6 p -58.64 -18.07 11.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 124.891 1.276 . . . . 10.0 112.738 169.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1863 ' ' VAL . . . . . . . . . . . . . 9.5 p -61.29 -16.8 15.2 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 C-N-CA 125.724 1.61 . . . . 10.0 114.285 171.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1864 ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -129.55 172.54 11.46 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 125.551 1.541 . . . . 10.0 113.617 -178.443 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1865 ' ' CYS . . . . . . . . . . . . . 60.4 m 48.93 -141.27 0.64 Allowed 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 126.99 2.116 . . . . 10.0 112.964 -174.559 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1866 ' ' GLY . . . . . . . . . . . . . . . 106.46 -7.98 40.28 Favored Glycine 0 N--CA 1.481 1.665 0 C-N-CA 124.828 1.204 . . . . 10.0 116.09 174.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1867 ' ' HIS . . . . . . . . . . . . . 50.3 t-80 -64.27 160.76 17.99 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.302 1.441 . . . . 10.0 112.202 172.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1868 ' ' VAL . . . . . . . . . . . . . 8.6 p -62.28 153.15 6.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 123.053 0.541 . . . . 10.0 111.628 170.334 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1869 ' ' THR . . . . . . . . . . . . . 82.8 p -134.59 175.23 9.72 Favored 'General case' 0 N--CA 1.488 1.47 0 C-N-CA 124.594 1.158 . . . . 10.0 110.088 173.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1870 ' ' ALA . . . . . . . . . . . . . . . -137.52 120.52 16.58 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.334 1.054 . . . . 10.0 109.353 169.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1871 ' ' TYR . . . . . . . . . . . . . 53.4 p90 -147.11 160.11 42.81 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 125.022 1.329 . . . . 10.0 112.672 -177.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1872 ' ' GLY . . . . . . . . . . . . . . . 137.28 176.79 14.6 Favored Glycine 0 CA--C 1.538 1.481 0 C-N-CA 124.596 1.093 . . . . 10.0 114.08 -178.18 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1873 ' ' PRO . . . . . . . . . . . . . 76.8 Cg_endo -68.13 -30.6 31.3 Favored 'Trans proline' 0 N--CA 1.451 -1.005 0 C-N-CA 123.235 2.624 . . . . 10.0 113.408 179.105 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1874 ' ' GLY . . . . . . . . . . . . . . . -65.45 -9.49 43.9 Favored Glycine 0 CA--C 1.54 1.631 0 N-CA-C 115.929 1.131 . . . . 10.0 115.929 -177.145 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1875 ' ' LEU . . . . . . . . . . . . . 43.4 mt -94.09 -8.28 40.11 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-N 119.56 1.68 . . . . 10.0 113.947 171.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1876 ' ' THR . . . . . . . . . . . . . 35.7 m -120.04 -37.53 3.07 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 125.491 1.516 . . . . 10.0 111.636 -174.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1877 ' ' HIS . . . . . . . . . . . . . 57.3 m80 -128.77 173.44 10.34 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 127.979 2.512 . . . . 10.0 111.036 174.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1878 ' ' GLY . . . . . . . . . . . . . . . -152.56 168.65 31.63 Favored Glycine 0 N--CA 1.472 1.055 0 C-N-CA 126.308 1.908 . . . . 10.0 112.32 174.34 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1879 ' ' VAL . . . . . . . . . . . . . 3.4 t -131.48 115.55 28.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 CA-C-N 118.515 1.158 . . . . 10.0 110.634 178.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1880 ' ' VAL . . . . . . . . . . . . . 76.5 t -63.09 126.92 22.41 Favored 'Isoleucine or valine' 0 C--O 1.236 0.367 0 C-N-CA 124.79 1.236 . . . . 10.0 110.817 -177.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1881 ' ' ASN . . . . . . . . . . . . . 75.1 m-20 55.45 22.57 5.14 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 128.002 2.521 . . . . 10.0 114.871 -176.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1882 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.62 128.28 21.74 Favored Pre-proline 0 N--CA 1.486 1.333 0 C-N-CA 125.164 1.385 . . . . 10.0 110.665 169.021 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1883 ' ' PRO . . . . . . . . . . . . . 35.7 Cg_exo -56.46 118.89 5.78 Favored 'Trans proline' 0 C--N 1.357 1.008 0 C-N-CA 123.241 2.627 . . . . 10.0 111.072 -172.172 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1884 ' ' ALA . . . . . . . . . . . . . . . -102.44 156.99 17.23 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.541 1.536 . . . . 10.0 111.286 177.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1885 ' ' THR . . . . . . . . . . . . . 71.3 p -147.95 162.07 40.05 Favored 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 114.513 1.301 . . . . 10.0 114.513 -169.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1886 ' ' PHE . . . . . . . . . . . . . 53.2 p90 -152.37 157.07 40.77 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 127.262 2.225 . . . . 10.0 110.809 167.372 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1887 ' ' THR . . . . . . . . . . . . . 47.1 m -92.94 138.02 31.85 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.705 1.602 . . . . 10.0 110.753 -177.036 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1888 ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -135.65 61.36 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 C-N-CA 128.933 2.893 . . . . 10.0 108.805 -177.531 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1889 ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -62.74 88.99 0.03 OUTLIER 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 130.012 3.325 . . . . 10.0 111.678 -176.141 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1890 ' ' THR . . . . . . . . . . . . . 5.6 p -70.56 54.16 0.15 Allowed 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 130.665 3.586 . . . . 10.0 112.584 170.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1891 ' ' LYS . . . . . . . . . . . . . 1.8 ptmt -48.51 -57.79 5.63 Favored 'General case' 0 N--CA 1.485 1.308 0 N-CA-C 116.951 2.204 . . . . 10.0 116.951 -178.473 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 33.7 t70 -129.47 11.21 5.79 Favored 'General case' 0 CA--C 1.562 1.433 0 C-N-CA 126.336 1.854 . . . . 10.0 111.63 175.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1893 ' ' ALA . . . . . . . . . . . . . . . -58.08 -49.74 75.89 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 128.349 2.659 . . . . 10.0 114.593 -170.216 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . 143.41 -175.24 23.54 Favored Glycine 0 N--CA 1.477 1.393 0 C-N-CA 125.125 1.345 . . . . 10.0 111.847 -171.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1895 ' ' GLU . . . . . . . . . . . . . 4.1 pm0 -69.16 -10.12 56.14 Favored 'General case' 0 CA--C 1.56 1.338 0 N-CA-C 116.483 2.031 . . . . 10.0 116.483 -175.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1896 ' ' GLY . . . . . . . . . . . . . . . 143.57 -174.53 24.01 Favored Glycine 0 CA--C 1.534 1.231 0 C-N-CA 125.897 1.713 . . . . 10.0 113.022 -177.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1897 ' ' GLY . . . . . . . . . . . . . . . 131.5 -3.07 5.41 Favored Glycine 0 C--N 1.352 1.43 0 C-N-CA 125.503 1.525 . . . . 10.0 115.057 176.25 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1898 ' ' LEU . . . . . . . . . . . . . 2.5 tm? -55.08 118.01 3.96 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.522 1.529 . . . . 10.0 111.196 173.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1899 ' ' SER . . . . . . . . . . . . . 19.5 t -131.26 144.02 50.99 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 126.543 1.937 . . . . 10.0 110.576 -178.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1900 ' ' LEU . . . . . . . . . . . . . 82.0 mt -129.64 155.32 46.05 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 125.565 1.546 . . . . 10.0 113.286 -172.208 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1901 ' ' ALA . . . . . . . . . . . . . . . -144.23 111.6 5.97 Favored 'General case' 0 N--CA 1.444 -0.761 0 C-N-CA 125.98 1.712 . . . . 10.0 108.608 166.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1902 ' ' ILE . . . . . . . . . . . . . 1.9 mp -97.17 137.03 25.95 Favored 'Isoleucine or valine' 0 C--O 1.243 0.721 0 O-C-N 121.073 -1.017 . . . . 10.0 109.277 173.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1903 ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 -126.61 173.66 9.28 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 126.53 1.932 . . . . 10.0 111.115 176.293 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1904 ' ' GLY . . . . . . . . . . . . . . . 156.88 -164.95 32.96 Favored Glycine 0 N--CA 1.479 1.52 0 C-N-CA 123.818 0.723 . . . . 10.0 112.02 -176.233 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1905 ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -71.05 -18.21 31.16 Favored 'Trans proline' 0 CA--C 1.545 1.058 0 C-N-CA 122.704 2.27 . . . . 10.0 112.081 169.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1906 ' ' SER . . . . . . . . . . . . . 17.6 t -147.53 -174.9 4.66 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 128.279 2.632 . . . . 10.0 109.128 -168.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1907 ' ' LYS . . . . . . . . . . . . . 98.7 mttt -123.3 165.42 17.0 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 124.973 1.309 . . . . 10.0 113.718 -168.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1908 ' ' ALA . . . . . . . . . . . . . . . -139.62 137.57 35.41 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.157 1.383 . . . . 10.0 113.094 178.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1909 ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -63.25 153.91 33.17 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 123.617 0.767 . . . . 10.0 110.605 167.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1910 ' ' ILE . . . . . . . . . . . . . 25.3 mm -125.07 126.84 71.75 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.732 0 C-N-CA 125.256 1.422 . . . . 10.0 110.481 -177.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1911 ' ' SER . . . . . . . . . . . . . 56.4 m -135.43 157.23 47.41 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 127.621 2.368 . . . . 10.0 110.898 172.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1912 ' ' CYS . . . . . . . . . . . . . 26.3 p -157.05 166.51 33.12 Favored 'General case' 0 C--N 1.349 0.55 0 C-N-CA 125.374 1.469 . . . . 10.0 112.669 179.006 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1913 ' ' THR . . . . . . . . . . . . . 85.0 m -103.64 94.32 5.39 Favored 'General case' 0 N--CA 1.476 0.843 0 O-C-N 120.66 -1.275 . . . . 10.0 109.372 171.001 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1914 ' ' ASP . . . . . . . . . . . . . 30.8 t70 -59.11 -29.1 67.12 Favored 'General case' 0 C--O 1.246 0.871 0 C-N-CA 125.646 1.579 . . . . 10.0 113.641 -174.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1915 ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -65.68 108.78 2.19 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 125.613 1.565 . . . . 10.0 110.509 171.027 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1916 ' ' GLN . . . . . . . . . . . . . 10.7 tm0? -68.1 70.8 0.16 Allowed 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 126.443 1.897 . . . . 10.0 112.09 174.179 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1917 ' ' ASP . . . . . . . . . . . . . 33.5 t70 -86.28 5.31 35.08 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 127.483 2.313 . . . . 10.0 112.705 176.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1918 ' ' GLY . . . . . . . . . . . . . . . 133.09 -18.57 4.46 Favored Glycine 0 CA--C 1.533 1.182 0 C-N-CA 127.596 2.522 . . . . 10.0 113.642 -176.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1919 ' ' THR . . . . . . . . . . . . . 2.4 t -156.51 152.43 27.34 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.172 1.389 . . . . 10.0 111.436 175.337 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1920 ' ' CYS . . . . . . . . . . . . . 7.3 t -81.11 0.4 36.33 Favored 'General case' 0 CA--C 1.558 1.27 0 C-N-CA 125.358 1.463 . . . . 10.0 114.024 174.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1921 ' ' SER . . . . . . . . . . . . . 5.7 t 28.06 75.04 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 131.149 3.779 . . . . 10.0 115.188 175.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1922 ' ' VAL . . . . . . . . . . . . . 24.8 t -71.52 133.95 30.87 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.205 0 C-N-CA 125.026 1.33 . . . . 10.0 111.496 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1923 ' ' SER . . . . . . . . . . . . . 67.8 m -126.01 139.3 53.53 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 127.031 2.132 . . . . 10.0 109.938 168.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1924 ' ' TYR . . . . . . . . . . . . . 24.5 p90 -140.32 162.24 35.77 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 124.469 1.108 . . . . 10.0 111.034 176.257 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1925 ' ' LEU . . . . . . . . . . . . . 2.0 tm? -143.57 94.4 6.1 Favored Pre-proline 0 CA--C 1.542 0.635 0 CA-C-O 118.39 -0.814 . . . . 10.0 109.966 -172.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1926 ' ' PRO . . . . . . . . . . . . . 50.7 Cg_endo -75.21 155.72 42.01 Favored 'Trans proline' 0 CA--C 1.54 0.801 0 C-N-CA 123.54 2.827 . . . . 10.0 110.702 175.101 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1927 ' ' VAL . . . . . . . . . . . . . 29.2 m -111.7 -16.06 9.53 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 N-CA-C 115.869 1.803 . . . . 10.0 115.869 -175.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1928 ' ' LEU . . . . . . . . . . . . . 18.9 mt -143.35 159.1 56.37 Favored Pre-proline 0 CA--C 1.543 0.674 0 C-N-CA 126.34 1.856 . . . . 10.0 112.296 170.312 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1929 ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -74.52 164.03 34.79 Favored 'Trans proline' 0 CA--C 1.536 0.579 0 C-N-CA 123.672 2.915 . . . . 10.0 112.128 -177.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1930 ' ' GLY . . . . . . . . . . . . . . . 153.31 -179.85 29.36 Favored Glycine 0 CA--C 1.54 1.598 0 N-CA-C 117.098 1.599 . . . . 10.0 117.098 177.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1931 ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -85.23 88.58 7.5 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.395 1.478 . . . . 10.0 109.288 169.106 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1932 ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -82.49 161.65 22.31 Favored 'General case' 0 C--O 1.222 -0.378 0 O-C-N 121.463 -0.773 . . . . 10.0 110.51 173.131 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1933 ' ' SER . . . . . . . . . . . . . 70.4 m -124.31 146.91 48.51 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 125.313 1.445 . . . . 10.0 110.794 174.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1934 ' ' ILE . . . . . . . . . . . . . 3.8 mm -119.11 109.77 27.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 C-N-CA 125.602 1.561 . . . . 10.0 109.389 -178.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1935 ' ' LEU . . . . . . . . . . . . . 2.0 mm? -98.19 110.02 22.67 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 126.148 1.779 . . . . 10.0 108.081 170.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1936 ' ' VAL . . . . . . . . . . . . . 22.7 t -108.16 133.59 52.61 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 C-N-CA 126.013 1.725 . . . . 10.0 110.49 177.46 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1937 ' ' LYS . . . . . . . . . . . . . 99.0 mttt -132.11 154.57 49.34 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 125.048 1.339 . . . . 10.0 111.426 170.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1938 ' ' TYR . . . . . . . . . . . . . 45.3 t80 -125.08 -27.23 3.57 Favored 'General case' 0 N--CA 1.486 1.327 0 N-CA-C 117.252 2.316 . . . . 10.0 117.252 174.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1939 ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -143.19 50.97 1.39 Allowed 'General case' 0 CA--C 1.558 1.261 0 C-N-CA 126.161 1.785 . . . . 10.0 111.309 -173.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1940 ' ' GLU . . . . . . . . . . . . . 5.8 tp10 58.64 10.56 1.46 Allowed 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 127.084 2.154 . . . . 10.0 113.462 -168.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1941 ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -137.72 147.12 44.5 Favored 'General case' 0 C--O 1.239 0.532 0 C-N-CA 127.611 2.364 . . . . 10.0 110.379 -170.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1942 ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -69.87 147.38 50.38 Favored 'General case' 0 C--O 1.241 0.652 0 N-CA-C 114.229 1.196 . . . . 10.0 114.229 -173.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1943 ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -69.19 164.83 44.82 Favored Pre-proline 0 C--O 1.242 0.701 0 C-N-CA 126.296 1.838 . . . . 10.0 113.276 175.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1944 ' ' PRO . . . . . . . . . . . . . 49.4 Cg_exo -59.94 115.32 2.54 Favored 'Trans proline' 0 CA--C 1.544 0.993 0 C-N-CA 124.792 3.662 . . . . 10.0 111.583 -176.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1945 ' ' GLY . . . . . . . . . . . . . . . 88.82 -6.01 84.06 Favored Glycine 0 N--CA 1.474 1.221 0 C-N-CA 126.087 1.803 . . . . 10.0 116.529 177.147 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1946 ' ' SER . . . . . . . . . . . . . 15.6 m -63.43 156.87 68.21 Favored Pre-proline 0 CA--C 1.551 0.989 0 CA-C-N 119.652 1.726 . . . . 10.0 114.854 172.076 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1947 ' ' PRO . . . . . . . . . . . . . 80.7 Cg_endo -76.0 172.26 63.99 Favored 'Cis proline' 0 CA--C 1.552 1.402 0 N-CA-C 114.343 0.863 . . . . 10.0 114.343 -7.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1948 ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -125.1 166.14 16.94 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 127.015 2.126 . . . . 10.0 111.347 178.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1949 ' ' THR . . . . . . . . . . . . . 28.5 m -134.48 101.84 5.11 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 125.354 1.461 . . . . 10.0 109.91 -179.378 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1950 ' ' ALA . . . . . . . . . . . . . . . -90.06 127.72 36.13 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.441 1.496 . . . . 10.0 111.656 -176.339 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1951 ' ' ARG . . . . . . . . . . . . . 40.2 ttm-85 -93.47 87.4 5.55 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 125.243 1.417 . . . . 10.0 113.054 173.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1952 ' ' VAL . . . . . . . . . . . . . 2.4 t -63.98 115.32 2.6 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 C-N-CA 129.617 3.167 . . . . 10.0 112.115 171.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1953 ' ' THR . . . . . . . . . . . . . 6.2 t -102.26 146.5 27.91 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 124.869 1.268 . . . . 10.0 112.709 -179.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1954 ' ' GLY . . . . . . . . . . . . . . . -69.07 168.8 44.11 Favored Glycine 0 CA--C 1.534 1.247 0 N-CA-C 114.678 0.631 . . . . 10.0 114.678 -175.174 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1955 ' ' ASP . . . . . . . . . . . . . 38.8 t70 -154.83 -46.98 0.09 Allowed 'General case' 0 CA--C 1.555 1.139 0 C-N-CA 125.316 1.446 . . . . 10.0 112.11 174.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1956 ' ' ASP . . . . . . . . . . . . . 34.0 t70 . . . . . 0 N--CA 1.492 1.651 0 C-N-CA 125.503 1.521 . . . . 10.0 113.185 -179.095 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.345 0 N-CA-C 111.547 -0.621 . . . . 10.0 111.547 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' -3' ' ' ALA . . . . . . . . . . . . . . . -146.3 -172.86 4.04 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 126.075 1.75 . . . . 10.0 111.63 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 57.8 mtt 62.36 23.92 14.21 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 125.289 1.435 . . . . 10.0 114.547 174.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -1' ' ' VAL . . . . . . . . . . . . . 9.1 p -136.04 151.31 28.88 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 125.855 1.662 . . . . 10.0 111.291 -179.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1863 ' ' VAL . . . . . . . . . . . . . 57.8 t -68.13 125.25 25.43 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 C-N-CA 125.498 1.519 . . . . 10.0 111.546 -176.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1864 ' ' ASN . . . . . . . . . . . . . 35.5 t30 -69.4 -25.33 64.09 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 115.038 1.495 . . . . 10.0 115.038 -174.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1865 ' ' CYS . . . . . . . . . . . . . 44.8 t -136.97 -72.11 0.44 Allowed 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 125.473 1.509 . . . . 10.0 112.436 176.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1866 ' ' GLY . . . . . . . . . . . . . . . 81.16 8.06 87.74 Favored Glycine 0 CA--C 1.541 1.671 0 C-N-CA 125.269 1.414 . . . . 10.0 115.587 176.547 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1867 ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -116.25 176.85 4.91 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 126.531 1.932 . . . . 10.0 111.731 172.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1868 ' ' VAL . . . . . . . . . . . . . 14.7 p -55.5 122.65 5.09 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.679 0 C-N-CA 126.075 1.75 . . . . 10.0 112.043 177.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1869 ' ' THR . . . . . . . . . . . . . 26.9 p -144.88 159.38 43.0 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 126.631 1.972 . . . . 10.0 112.889 -173.174 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1870 ' ' ALA . . . . . . . . . . . . . . . -120.15 143.43 48.21 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 128.756 2.822 . . . . 10.0 112.96 173.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1871 ' ' TYR . . . . . . . . . . . . . 15.7 p90 -156.79 163.91 38.69 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.458 1.503 . . . . 10.0 113.257 175.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1872 ' ' GLY . . . . . . . . . . . . . . . 124.59 166.71 12.49 Favored Glycine 0 CA--C 1.538 1.477 0 C-N-CA 126.262 1.887 . . . . 10.0 113.782 176.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1873 ' ' PRO . . . . . . . . . . . . . 25.4 Cg_exo -59.53 -37.82 86.58 Favored 'Trans proline' 0 CA--C 1.54 0.812 0 C-N-CA 123.768 2.979 . . . . 10.0 113.898 179.16 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1874 ' ' GLY . . . . . . . . . . . . . . . -57.66 -24.38 52.87 Favored Glycine 0 CA--C 1.531 1.048 0 C-N-CA 126.553 2.025 . . . . 10.0 116.066 -173.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1875 ' ' LEU . . . . . . . . . . . . . 24.6 mt -77.66 -12.49 59.97 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.131 1.372 . . . . 10.0 113.853 176.061 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1876 ' ' THR . . . . . . . . . . . . . 89.6 m -124.92 -39.28 2.27 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 126.018 1.727 . . . . 10.0 112.013 -171.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1877 ' ' HIS . . . . . . . . . . . . . 52.0 m-70 -132.53 172.49 12.43 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.787 1.635 . . . . 10.0 112.374 174.581 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1878 ' ' GLY . . . . . . . . . . . . . . . -155.11 176.1 32.88 Favored Glycine 0 CA--C 1.544 1.873 0 C-N-CA 124.009 0.814 . . . . 10.0 113.25 178.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1879 ' ' VAL . . . . . . . . . . . . . 17.7 t -132.96 112.06 17.71 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 C-N-CA 125.369 1.468 . . . . 10.0 109.603 175.321 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1880 ' ' VAL . . . . . . . . . . . . . 58.7 t -58.71 137.93 20.44 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.617 0 C-N-CA 123.108 0.563 . . . . 10.0 111.105 177.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1881 ' ' ASN . . . . . . . . . . . . . 4.7 m-80 61.31 7.79 1.85 Allowed 'General case' 0 CA--C 1.554 1.125 0 C-N-CA 126.728 2.011 . . . . 10.0 116.125 -176.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1882 ' ' LYS . . . . . . . . . . . . . 43.6 tptt -121.22 144.08 38.86 Favored Pre-proline 0 N--CA 1.478 0.95 0 CA-C-N 119.72 1.145 . . . . 10.0 110.846 171.227 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1883 ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -61.71 116.38 3.4 Favored 'Trans proline' 0 CA--C 1.542 0.898 0 C-N-CA 123.316 2.678 . . . . 10.0 112.975 -171.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1884 ' ' ALA . . . . . . . . . . . . . . . -86.36 148.14 25.72 Favored 'General case' 0 CA--C 1.559 1.311 0 C-N-CA 123.966 0.906 . . . . 10.0 111.737 171.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1885 ' ' THR . . . . . . . . . . . . . 72.1 p -147.01 166.2 27.56 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.835 0.854 . . . . 10.0 112.104 178.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1886 ' ' PHE . . . . . . . . . . . . . 10.4 p90 -148.36 172.51 14.29 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 126.572 1.949 . . . . 10.0 110.289 168.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1887 ' ' THR . . . . . . . . . . . . . 47.2 m -126.79 136.76 52.83 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-O 123.122 1.439 . . . . 10.0 110.468 172.038 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1888 ' ' VAL . . . . . . . . . . . . . 2.0 t -146.42 123.95 3.99 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.094 0 C-N-CA 129.11 2.964 . . . . 10.0 105.189 -167.063 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1889 ' ' ASN . . . . . . . . . . . . . 15.1 t-20 -130.39 119.48 22.78 Favored 'General case' 0 C--O 1.245 0.854 0 O-C-N 123.926 0.766 . . . . 10.0 110.603 -168.013 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1890 ' ' THR . . . . . . . . . . . . . 24.4 p -84.77 60.38 6.12 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 126.318 1.847 . . . . 10.0 114.141 -169.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1891 ' ' LYS . . . . . . . . . . . . . 56.3 mttm -63.65 126.67 28.32 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 125.184 1.394 . . . . 10.0 111.361 176.319 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 21.8 t70 59.32 11.4 2.16 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 126.222 1.809 . . . . 10.0 115.816 179.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1893 ' ' ALA . . . . . . . . . . . . . . . -69.79 -12.95 62.02 Favored 'General case' 0 CA--C 1.554 1.132 0 C-N-CA 125.173 1.389 . . . . 10.0 114.23 -179.043 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . 61.46 -97.45 0.14 Allowed Glycine 0 CA--C 1.534 1.278 0 C-N-CA 127.24 2.352 . . . . 10.0 113.889 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1895 ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -77.54 -5.2 49.26 Favored 'General case' 0 N--CA 1.482 1.151 0 O-C-N 120.82 -1.4 . . . . 10.0 114.498 177.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1896 ' ' GLY . . . . . . . . . . . . . . . 79.96 -105.9 2.39 Favored Glycine 0 CA--C 1.525 0.675 0 C-N-CA 126.041 1.782 . . . . 10.0 111.286 178.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1897 ' ' GLY . . . . . . . . . . . . . . . 75.33 10.35 84.42 Favored Glycine 0 CA--C 1.539 1.569 0 N-CA-C 116.07 1.188 . . . . 10.0 116.07 177.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1898 ' ' LEU . . . . . . . . . . . . . 8.1 tt -68.03 135.61 52.55 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-N 119.525 1.662 . . . . 10.0 111.528 173.096 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1899 ' ' SER . . . . . . . . . . . . . 8.2 t -127.96 165.81 19.54 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.929 1.692 . . . . 10.0 110.26 169.138 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1900 ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -154.99 173.46 16.54 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 113.975 1.102 . . . . 10.0 113.975 172.338 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1901 ' ' ALA . . . . . . . . . . . . . . . -145.66 169.32 18.7 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.312 1.445 . . . . 10.0 111.482 168.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1902 ' ' ILE . . . . . . . . . . . . . 2.0 mp -125.52 129.38 72.84 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 126.511 1.924 . . . . 10.0 108.574 170.239 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1903 ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -127.97 177.09 7.11 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 126.489 1.916 . . . . 10.0 110.669 176.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1904 ' ' GLY . . . . . . . . . . . . . . . 154.61 -129.63 2.64 Favored Glycine 0 CA--C 1.53 0.983 0 C-N-CA 125.994 1.759 . . . . 10.0 111.257 174.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1905 ' ' PRO . . . . . . . . . . . . . 26.3 Cg_endo -76.27 -12.57 19.07 Favored 'Trans proline' 0 CA--C 1.544 1.02 0 C-N-CA 123.623 2.882 . . . . 10.0 112.993 170.138 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1906 ' ' SER . . . . . . . . . . . . . 16.1 t -156.81 176.79 12.27 Favored 'General case' 0 C--O 1.242 0.669 0 C-N-CA 128.107 2.563 . . . . 10.0 110.034 -166.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1907 ' ' LYS . . . . . . . . . . . . . 58.8 mttp -130.68 107.81 9.44 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 126.312 1.845 . . . . 10.0 110.208 177.114 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1908 ' ' ALA . . . . . . . . . . . . . . . -64.43 155.24 33.23 Favored 'General case' 0 CA--C 1.554 1.127 0 C-N-CA 124.355 1.062 . . . . 10.0 112.031 173.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1909 ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -77.84 97.98 5.43 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 124.142 0.977 . . . . 10.0 110.808 174.066 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1910 ' ' ILE . . . . . . . . . . . . . 22.2 mt -76.16 130.46 36.2 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.023 0 C-N-CA 124.939 1.296 . . . . 10.0 110.98 -178.147 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1911 ' ' SER . . . . . . . . . . . . . 26.5 m -131.35 155.12 47.79 Favored 'General case' 0 N--CA 1.466 0.375 0 C-N-CA 127.81 2.444 . . . . 10.0 111.522 173.58 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1912 ' ' CYS . . . . . . . . . . . . . 27.9 p -152.41 171.81 17.47 Favored 'General case' 0 CA--C 1.555 1.158 0 C-N-CA 124.581 1.153 . . . . 10.0 111.78 173.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1913 ' ' THR . . . . . . . . . . . . . 52.8 m -134.97 134.02 40.1 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 125.016 1.326 . . . . 10.0 109.544 177.014 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1914 ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -72.63 40.04 0.08 Allowed 'General case' 0 CA--C 1.558 1.275 0 C-N-CA 129.082 2.953 . . . . 10.0 114.489 -178.203 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1915 ' ' ASN . . . . . . . . . . . . . 58.4 t30 -61.71 117.37 5.72 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 125.641 1.576 . . . . 10.0 111.922 -177.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1916 ' ' GLN . . . . . . . . . . . . . 69.3 mm-40 -68.56 4.39 1.42 Allowed 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 125.469 1.507 . . . . 10.0 114.363 178.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1917 ' ' ASP . . . . . . . . . . . . . 15.9 t70 -75.18 -6.1 47.9 Favored 'General case' 0 C--O 1.245 0.834 0 CA-C-N 119.833 1.197 . . . . 10.0 112.452 168.18 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1918 ' ' GLY . . . . . . . . . . . . . . . 96.22 -2.02 63.08 Favored Glycine 0 CA--C 1.54 1.648 0 C-N-CA 125.583 1.563 . . . . 10.0 114.552 179.188 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1919 ' ' THR . . . . . . . . . . . . . 35.9 p -79.31 128.78 33.75 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 121.246 -1.149 . . . . 10.0 112.16 179.023 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1920 ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -94.5 75.9 3.83 Favored 'General case' 0 C--O 1.237 0.417 0 N-CA-C 107.091 -1.448 . . . . 10.0 107.091 168.674 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1921 ' ' SER . . . . . . . . . . . . . 40.4 m -69.73 69.11 0.28 Allowed 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 126.611 1.965 . . . . 10.0 112.99 -169.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1922 ' ' VAL . . . . . . . . . . . . . 53.7 t -70.02 123.39 23.73 Favored 'Isoleucine or valine' 0 C--O 1.245 0.85 0 C-N-CA 126.21 1.804 . . . . 10.0 110.918 177.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1923 ' ' SER . . . . . . . . . . . . . 80.4 p -123.87 148.92 46.38 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 125.275 1.43 . . . . 10.0 110.699 167.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1924 ' ' TYR . . . . . . . . . . . . . 12.0 p90 -157.56 172.16 19.06 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.714 1.206 . . . . 10.0 110.839 -176.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1925 ' ' LEU . . . . . . . . . . . . . 1.3 mt -140.52 92.92 8.94 Favored Pre-proline 0 CA--C 1.538 0.514 0 C-N-CA 124.117 0.967 . . . . 10.0 110.218 -174.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1926 ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -67.56 118.08 5.33 Favored 'Trans proline' 0 CA--C 1.533 0.435 0 C-N-CA 122.304 2.003 . . . . 10.0 112.371 173.015 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1927 ' ' VAL . . . . . . . . . . . . . 27.0 m -92.35 -6.21 10.66 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 O-C-N 120.638 -1.289 . . . . 10.0 113.982 -175.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1928 ' ' LEU . . . . . . . . . . . . . 2.7 tt -140.98 131.25 13.25 Favored Pre-proline 0 CA--C 1.543 0.678 0 C-N-CA 125.704 1.602 . . . . 10.0 112.49 -175.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1929 ' ' PRO . . . . . . . . . . . . . 19.1 Cg_exo -56.42 124.01 15.23 Favored 'Trans proline' 0 CA--C 1.543 0.947 0 C-N-CA 123.567 2.845 . . . . 10.0 113.182 177.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1930 ' ' GLY . . . . . . . . . . . . . . . -166.19 175.6 41.66 Favored Glycine 0 N--CA 1.479 1.503 0 N-CA-C 117.0 1.56 . . . . 10.0 117.0 -169.349 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1931 ' ' ASP . . . . . . . . . . . . . 81.2 m-20 -108.92 76.49 1.01 Allowed 'General case' 0 C--O 1.245 0.861 0 C-N-CA 126.844 2.058 . . . . 10.0 108.613 175.403 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1932 ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -74.21 151.15 40.02 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 120.9 -1.125 . . . . 10.0 111.467 -171.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1933 ' ' SER . . . . . . . . . . . . . 67.5 m -103.56 122.71 45.53 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 125.555 1.542 . . . . 10.0 110.506 171.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1934 ' ' ILE . . . . . . . . . . . . . 16.6 mm -85.83 109.98 19.17 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.67 0 N-CA-C 108.603 -0.888 . . . . 10.0 108.603 167.379 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1935 ' ' LEU . . . . . . . . . . . . . 2.6 mm? -89.45 84.04 6.39 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.8 1.24 . . . . 10.0 109.365 179.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1936 ' ' VAL . . . . . . . . . . . . . 22.0 t -80.81 98.35 3.71 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.228 0 O-C-N 120.543 -1.348 . . . . 10.0 110.98 178.189 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1937 ' ' LYS . . . . . . . . . . . . . 29.7 mtpt -99.84 84.25 2.87 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 128.182 2.593 . . . . 10.0 112.296 -175.186 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1938 ' ' TYR . . . . . . . . . . . . . 59.4 t80 -69.61 102.88 1.95 Allowed 'General case' 0 C--O 1.241 0.64 0 C-N-CA 123.497 0.719 . . . . 10.0 110.486 171.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1939 ' ' ASN . . . . . . . . . . . . . 14.7 t-20 50.32 62.49 2.65 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 125.561 1.544 . . . . 10.0 113.536 -169.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1940 ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 62.45 11.21 4.48 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 127.348 2.259 . . . . 10.0 116.167 171.365 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1941 ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -136.83 146.29 45.46 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.459 1.104 . . . . 10.0 110.614 169.439 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1942 ' ' HIS . . . . . . . . . . . . . 60.5 m-70 -65.83 143.03 57.73 Favored 'General case' 0 C--O 1.247 0.968 0 O-C-N 120.567 -1.333 . . . . 10.0 114.566 -169.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1943 ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -67.34 165.47 28.46 Favored Pre-proline 0 CA--C 1.544 0.722 0 C-N-CA 126.662 1.985 . . . . 10.0 112.671 174.739 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1944 ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -54.41 111.85 0.83 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 C-N-CA 125.136 3.891 . . . . 10.0 111.614 -176.175 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1945 ' ' GLY . . . . . . . . . . . . . . . 85.59 -2.63 87.89 Favored Glycine 0 CA--C 1.552 2.382 0 C-N-CA 125.986 1.755 . . . . 10.0 117.01 176.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1946 ' ' SER . . . . . . . . . . . . . 2.0 m -67.36 158.37 82.29 Favored Pre-proline 0 N--CA 1.483 1.208 0 CA-C-N 119.525 1.663 . . . . 10.0 112.602 172.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1947 ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -75.96 169.33 74.77 Favored 'Cis proline' 0 CA--C 1.547 1.161 0 N-CA-C 115.525 1.317 . . . . 10.0 115.525 -2.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1948 ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -107.09 117.17 33.35 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.797 1.639 . . . . 10.0 111.507 177.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1949 ' ' THR . . . . . . . . . . . . . 29.3 m -75.53 95.44 3.31 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 126.484 1.914 . . . . 10.0 111.22 177.005 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1950 ' ' ALA . . . . . . . . . . . . . . . -88.78 103.02 15.58 Favored 'General case' 0 C--O 1.243 0.743 0 C-N-CA 127.332 2.253 . . . . 10.0 113.846 178.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1951 ' ' ARG . . . . . . . . . . . . . 17.2 ttm180 -82.23 80.99 8.29 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 125.061 1.344 . . . . 10.0 112.702 -179.347 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1952 ' ' VAL . . . . . . . . . . . . . 3.0 t -59.22 100.13 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.548 0.901 0 C-N-CA 127.78 2.432 . . . . 10.0 112.731 169.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1953 ' ' THR . . . . . . . . . . . . . 7.2 t -73.75 151.48 40.64 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-O 121.229 0.537 . . . . 10.0 111.586 169.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1954 ' ' GLY . . . . . . . . . . . . . . . -117.21 161.21 13.22 Favored Glycine 0 CA--C 1.538 1.509 0 C-N-CA 125.337 1.446 . . . . 10.0 114.353 -175.013 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1955 ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -99.44 -5.74 28.88 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 126.348 1.859 . . . . 10.0 114.997 172.001 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1956 ' ' ASP . . . . . . . . . . . . . 28.4 t70 . . . . . 0 N--CA 1.484 1.25 0 C-N-CA 128.136 2.574 . . . . 10.0 112.75 -179.004 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.717 0 N-CA-C 110.822 -0.911 . . . . 10.0 110.822 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' -3' ' ' ALA . . . . . . . . . . . . . . . -73.01 169.11 17.64 Favored 'General case' 0 CA--C 1.55 0.96 0 N-CA-C 113.132 0.789 . . . . 10.0 113.132 179.339 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 90.6 mtp -137.25 155.97 48.84 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 126.079 1.752 . . . . 10.0 110.314 177.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -1' ' ' VAL . . . . . . . . . . . . . 8.8 p -128.77 -6.69 3.46 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 125.652 1.581 . . . . 10.0 113.451 -179.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1863 ' ' VAL . . . . . . . . . . . . . 40.7 t -57.5 105.4 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 125.899 1.679 . . . . 10.0 112.175 -173.429 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1864 ' ' ASN . . . . . . . . . . . . . 7.4 p30 -132.15 -6.24 3.45 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 125.548 1.539 . . . . 10.0 113.809 175.208 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1865 ' ' CYS . . . . . . . . . . . . . 42.5 t -111.7 146.88 36.74 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 126.529 1.932 . . . . 10.0 109.299 172.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1866 ' ' GLY . . . . . . . . . . . . . . . -86.07 176.57 48.91 Favored Glycine 0 CA--C 1.535 1.281 0 C-N-CA 124.451 1.024 . . . . 10.0 114.09 -177.331 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1867 ' ' HIS . . . . . . . . . . . . . 6.5 m80 -144.41 169.56 17.71 Favored 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 126.934 2.094 . . . . 10.0 110.99 171.359 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1868 ' ' VAL . . . . . . . . . . . . . 14.1 p -59.23 139.79 18.41 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.795 0 C-N-CA 125.92 1.688 . . . . 10.0 113.008 177.096 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1869 ' ' THR . . . . . . . . . . . . . 49.7 p -145.83 164.22 32.6 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 126.41 1.884 . . . . 10.0 111.408 -179.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1870 ' ' ALA . . . . . . . . . . . . . . . -135.43 135.4 40.54 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.637 1.575 . . . . 10.0 110.515 173.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1871 ' ' TYR . . . . . . . . . . . . . 36.0 p90 -161.3 166.9 26.86 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.234 1.414 . . . . 10.0 112.111 -178.247 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1872 ' ' GLY . . . . . . . . . . . . . . . 133.08 170.4 12.44 Favored Glycine 0 CA--C 1.544 1.866 0 C-N-CA 126.025 1.774 . . . . 10.0 114.163 171.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1873 ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -73.31 -19.32 22.44 Favored 'Trans proline' 0 CA--C 1.546 1.101 0 C-N-CA 124.003 3.136 . . . . 10.0 112.993 -174.394 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1874 ' ' GLY . . . . . . . . . . . . . . . -58.96 -34.6 79.42 Favored Glycine 0 N--CA 1.476 1.31 0 O-C-N 120.781 -1.199 . . . . 10.0 113.622 172.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1875 ' ' LEU . . . . . . . . . . . . . 21.4 mt -70.85 -4.93 26.79 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 124.481 1.112 . . . . 10.0 113.754 174.313 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1876 ' ' THR . . . . . . . . . . . . . 46.7 m -114.61 -41.82 3.36 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 126.854 2.062 . . . . 10.0 113.253 176.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1877 ' ' HIS . . . . . . . . . . . . . 35.7 m80 -133.33 143.04 48.75 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.828 1.251 . . . . 10.0 113.087 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1878 ' ' GLY . . . . . . . . . . . . . . . -123.26 168.44 15.46 Favored Glycine 0 CA--C 1.547 2.093 0 C-N-CA 125.013 1.292 . . . . 10.0 113.38 177.002 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1879 ' ' VAL . . . . . . . . . . . . . 21.6 t -137.04 110.19 8.12 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 C-N-CA 125.23 1.412 . . . . 10.0 109.934 175.057 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1880 ' ' VAL . . . . . . . . . . . . . 58.3 t -55.38 127.96 14.95 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 C-N-CA 124.434 1.094 . . . . 10.0 110.967 -177.509 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1881 ' ' ASN . . . . . . . . . . . . . 81.2 m-20 64.27 15.11 9.19 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 127.558 2.343 . . . . 10.0 115.941 -177.257 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1882 ' ' LYS . . . . . 0.405 ' HA ' ' HD3' ' A' 1883 ' ' PRO . 47.5 tptt -125.14 134.45 25.76 Favored Pre-proline 0 C--N 1.355 0.814 0 CA-C-N 120.531 1.514 . . . . 10.0 111.274 170.202 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1883 ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' 1882 ' ' LYS . 31.6 Cg_exo -56.94 110.52 0.6 Allowed 'Trans proline' 0 C--N 1.358 1.056 0 C-N-CA 123.453 2.769 . . . . 10.0 113.281 -169.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1884 ' ' ALA . . . . . . . . . . . . . . . -81.16 153.36 27.29 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-O 122.104 0.954 . . . . 10.0 110.739 172.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1885 ' ' THR . . . . . . . . . . . . . 58.2 p -147.53 153.87 40.02 Favored 'General case' 0 N--CA 1.483 1.22 0 O-C-N 120.145 -1.597 . . . . 10.0 113.322 -176.25 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1886 ' ' PHE . . . . . . . . . . . . . 42.0 p90 -148.3 169.44 20.12 Favored 'General case' 0 C--O 1.239 0.548 0 C-N-CA 124.784 1.234 . . . . 10.0 112.401 167.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1887 ' ' THR . . . . . . . . . . . . . 93.8 m -103.12 131.4 50.16 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.977 1.311 . . . . 10.0 111.018 -174.106 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1888 ' ' VAL . . . . . . . . . . . . . 2.8 m -129.77 147.3 33.27 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.334 0 C-N-CA 125.594 1.558 . . . . 10.0 108.868 168.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1889 ' ' ASN . . . . . . . . . . . . . 3.4 t30 -129.96 76.82 1.75 Allowed 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.497 1.519 . . . . 10.0 111.521 -166.244 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1890 ' ' THR . . . . . . . . . . . . . 14.6 p -81.57 95.76 7.25 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 128.448 2.699 . . . . 10.0 111.643 -175.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1891 ' ' LYS . . . . . . . . . . . . . 60.5 pttt -57.8 -28.26 63.85 Favored 'General case' 0 N--CA 1.482 1.175 0 N-CA-C 113.167 0.802 . . . . 10.0 113.167 176.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 26.9 t70 -142.46 -66.55 0.39 Allowed 'General case' 0 CA--C 1.557 1.216 0 C-N-CA 125.045 1.338 . . . . 10.0 112.372 170.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1893 ' ' ALA . . . . . . . . . . . . . . . 55.66 -55.16 0.02 OUTLIER 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 128.721 2.808 . . . . 10.0 116.527 -174.097 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . 62.84 -159.69 35.19 Favored Glycine 0 CA--C 1.547 2.035 0 C-N-CA 125.399 1.476 . . . . 10.0 113.703 177.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1895 ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -68.37 -2.33 8.25 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 116.033 1.864 . . . . 10.0 116.033 -172.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1896 ' ' GLY . . . . . . . . . . . . . . . -162.84 77.84 0.16 Allowed Glycine 0 CA--C 1.543 1.812 0 C-N-CA 125.644 1.593 . . . . 10.0 111.777 -176.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1897 ' ' GLY . . . . . . . . . . . . . . . -141.39 -98.78 0.34 Allowed Glycine 0 N--CA 1.475 1.253 0 C-N-CA 123.442 0.544 . . . . 10.0 112.709 179.548 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1898 ' ' LEU . . . . . . . . . . . . . 3.3 tt -67.57 122.28 17.67 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.324 1.45 . . . . 10.0 111.626 -178.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1899 ' ' SER . . . . . . . . . . . . . 19.8 t -132.25 150.84 52.07 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 126.192 1.797 . . . . 10.0 111.954 176.346 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1900 ' ' LEU . . . . . . . . . . . . . 72.7 mt -127.44 156.79 41.54 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 114.844 1.424 . . . . 10.0 114.844 -174.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1901 ' ' ALA . . . . . . . . . . . . . . . -152.84 159.67 43.05 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 125.417 1.487 . . . . 10.0 108.871 165.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1902 ' ' ILE . . . . . . . . . . . . . 1.1 mp -127.55 144.58 37.01 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.639 0 C-N-CA 126.148 1.779 . . . . 10.0 109.134 177.375 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1903 ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -123.8 161.18 25.77 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 125.491 1.517 . . . . 10.0 111.915 168.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1904 ' ' GLY . . . . . . . . . . . . . . . 153.12 -164.25 30.84 Favored Glycine 0 CA--C 1.54 1.618 0 C-N-CA 124.836 1.208 . . . . 10.0 112.865 -169.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1905 ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -71.48 -16.41 30.74 Favored 'Trans proline' 0 C--N 1.363 1.311 0 C-N-CA 122.594 2.196 . . . . 10.0 111.911 171.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1906 ' ' SER . . . . . . . . . . . . . 11.3 t -154.26 153.91 32.52 Favored 'General case' 0 C--O 1.243 0.751 0 C-N-CA 128.063 2.545 . . . . 10.0 110.976 -166.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1907 ' ' LYS . . . . . . . . . . . . . 99.4 mttt -99.92 134.97 42.04 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.984 0.914 . . . . 10.0 110.867 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1908 ' ' ALA . . . . . . . . . . . . . . . -71.9 165.16 24.72 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.777 0.831 . . . . 10.0 112.802 172.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1909 ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -106.43 104.11 13.73 Favored 'General case' 0 CA--C 1.553 1.092 0 C-N-CA 125.438 1.495 . . . . 10.0 109.354 171.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1910 ' ' ILE . . . . . . . . . . . . . 52.4 mt -95.54 142.75 13.2 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.151 0 C-N-CA 125.322 1.449 . . . . 10.0 113.145 -167.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1911 ' ' SER . . . . . . . . . . . . . 52.1 m -143.33 171.13 14.54 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 129.453 3.101 . . . . 10.0 111.117 176.353 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1912 ' ' CYS . . . . . . . . . . . . . 25.5 p -150.7 163.53 38.33 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 125.258 1.423 . . . . 10.0 113.468 179.074 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1913 ' ' THR . . . . . . . . . . . . . 79.0 m -144.73 120.51 10.55 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.186 0.994 . . . . 10.0 110.628 -179.256 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1914 ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -72.39 94.43 1.63 Allowed 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 123.513 0.725 . . . . 10.0 110.188 168.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1915 ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -82.9 162.71 21.48 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-O 122.661 1.219 . . . . 10.0 112.219 -178.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1916 ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -61.75 -24.7 66.99 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 127.136 2.175 . . . . 10.0 114.328 -178.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1917 ' ' ASP . . . . . . . . . . . . . 26.9 t70 -82.24 -3.8 55.83 Favored 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 125.352 1.461 . . . . 10.0 112.56 176.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1918 ' ' GLY . . . . . . . . . . . . . . . 88.39 1.89 80.55 Favored Glycine 0 CA--C 1.538 1.498 0 C-N-CA 124.823 1.202 . . . . 10.0 114.095 179.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1919 ' ' THR . . . . . . . . . . . . . 18.2 p -70.2 158.26 36.14 Favored 'General case' 0 C--O 1.242 0.661 0 C-N-CA 126.014 1.725 . . . . 10.0 111.874 171.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1920 ' ' CYS . . . . . . . . . . . . . 1.7 t -102.62 9.12 39.53 Favored 'General case' 0 CA--C 1.559 1.316 0 C-N-CA 124.475 1.11 . . . . 10.0 112.883 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1921 ' ' SER . . . . . . . . . . . . . 50.1 m 12.86 79.18 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.101 1 C-N-CA 132.161 4.185 . . . . 10.0 114.928 -179.478 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1922 ' ' VAL . . . . . . . . . . . . . 78.7 t -63.81 129.02 27.06 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 C-N-CA 123.541 0.736 . . . . 10.0 111.05 173.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1923 ' ' SER . . . . . . . . . . . . . 49.0 m -125.49 141.8 51.85 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 125.884 1.673 . . . . 10.0 110.176 169.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1924 ' ' TYR . . . . . . . . . . . . . 17.2 p90 -149.33 165.22 32.63 Favored 'General case' 0 C--O 1.235 0.322 0 O-C-N 121.634 -0.667 . . . . 10.0 111.985 -178.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1925 ' ' LEU . . . . . . . . . . . . . 4.2 mt -131.29 107.91 14.81 Favored Pre-proline 0 CA--C 1.547 0.843 0 O-C-N 121.511 -0.743 . . . . 10.0 110.807 -178.171 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1926 ' ' PRO . . . . . . . . . . . . . 80.2 Cg_endo -75.59 145.54 29.61 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 121.817 1.678 . . . . 10.0 109.594 168.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1927 ' ' VAL . . . . . . . . . . . . . 30.0 m -124.75 -6.13 6.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.925 0 C-N-CA 125.646 1.578 . . . . 10.0 114.586 -170.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1928 ' ' LEU . . . . . . . . . . . . . 5.2 tt -150.66 132.59 7.91 Favored Pre-proline 0 CA--C 1.554 1.111 0 C-N-CA 126.305 1.842 . . . . 10.0 110.472 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1929 ' ' PRO . . . . . . . . . . . . . 19.3 Cg_exo -55.03 133.81 60.2 Favored 'Trans proline' 0 C--N 1.353 0.796 0 C-N-CA 124.124 3.216 . . . . 10.0 113.558 -177.06 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1930 ' ' GLY . . . . . . . . . . . . . . . 177.43 178.73 47.28 Favored Glycine 0 CA--C 1.538 1.515 0 N-CA-C 116.75 1.46 . . . . 10.0 116.75 -178.246 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1931 ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -93.04 92.68 7.94 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 126.712 2.005 . . . . 10.0 110.134 174.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1932 ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -87.89 101.56 13.85 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.364 1.065 . . . . 10.0 110.281 -171.429 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1933 ' ' SER . . . . . . . . . . . . . 70.5 m -70.05 135.37 49.21 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 118.279 -0.867 . . . . 10.0 110.251 169.161 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1934 ' ' ILE . . . . . . . . . . . . . 7.5 mm -108.71 122.35 63.16 Favored 'Isoleucine or valine' 0 C--O 1.24 0.557 0 C-N-CA 125.475 1.51 . . . . 10.0 110.358 178.034 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1935 ' ' LEU . . . . . . . . . . . . . 2.7 mm? -113.09 79.54 1.25 Allowed 'General case' 0 C--O 1.236 0.384 0 C-N-CA 125.749 1.62 . . . . 10.0 109.001 -174.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1936 ' ' VAL . . . . . . . . . . . . . 20.6 t -81.48 125.17 39.55 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.268 0 O-C-N 121.064 -1.023 . . . . 10.0 109.016 175.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1937 ' ' LYS . . . . . . . . . . . . . 81.0 mttt -120.07 162.34 19.45 Favored 'General case' 0 C--O 1.241 0.639 0 C-N-CA 125.314 1.445 . . . . 10.0 112.017 170.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1938 ' ' TYR . . . . . . . . . . . . . 47.3 t80 -135.74 110.05 8.42 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 125.881 1.673 . . . . 10.0 110.695 170.24 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1939 ' ' ASN . . . . . . . . . . . . . 6.8 t30 65.59 -46.89 0.38 Allowed 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 129.132 2.973 . . . . 10.0 114.853 -176.16 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1940 ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -151.99 -29.93 0.16 Allowed 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 115.031 1.493 . . . . 10.0 115.031 -178.263 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1941 ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -123.58 160.27 27.41 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 125.547 1.539 . . . . 10.0 111.053 -168.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1942 ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -66.18 144.21 56.79 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-O 122.353 1.073 . . . . 10.0 111.453 179.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1943 ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -71.6 165.83 45.35 Favored Pre-proline 0 CA--C 1.55 0.977 0 C-N-CA 125.681 1.592 . . . . 10.0 112.332 -177.627 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1944 ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -55.62 110.43 0.55 Allowed 'Trans proline' 0 CA--C 1.538 0.708 0 C-N-CA 124.91 3.74 . . . . 10.0 111.82 -177.084 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1945 ' ' GLY . . . . . . . . . . . . . . . 91.49 -9.23 77.71 Favored Glycine 0 CA--C 1.534 1.221 0 C-N-CA 125.997 1.761 . . . . 10.0 115.695 -179.298 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1946 ' ' SER . . . . . . . . . . . . . 25.0 m -73.31 159.03 85.89 Favored Pre-proline 0 N--CA 1.482 1.148 0 CA-C-N 119.148 1.474 . . . . 10.0 112.653 173.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1947 ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -72.33 167.67 76.67 Favored 'Cis proline' 0 CA--C 1.552 1.391 0 CA-C-N 120.093 1.069 . . . . 10.0 113.198 -6.071 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1948 ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -121.55 165.92 14.97 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 126.971 2.108 . . . . 10.0 110.593 176.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1949 ' ' THR . . . . . . . . . . . . . 21.5 m -139.24 101.31 4.23 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 126.18 1.792 . . . . 10.0 111.243 176.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1950 ' ' ALA . . . . . . . . . . . . . . . -81.3 160.94 24.06 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.426 1.09 . . . . 10.0 112.669 172.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1951 ' ' ARG . . . . . . . . . . . . . 55.0 ttt180 -118.23 94.86 4.65 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 126.314 1.846 . . . . 10.0 111.118 171.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1952 ' ' VAL . . . . . . . . . . . . . 2.3 t -72.14 90.99 0.45 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.688 0 C-N-CA 126.345 1.858 . . . . 10.0 110.598 170.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1953 ' ' THR . . . . . . . . . . . . . 14.6 t -70.34 150.3 46.46 Favored 'General case' 0 N--CA 1.484 1.237 0 CA-C-O 120.852 0.358 . . . . 10.0 110.066 169.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1954 ' ' GLY . . . . . . . . . . . . . . . -123.48 141.36 13.61 Favored Glycine 0 CA--C 1.522 0.528 0 C-N-CA 124.999 1.285 . . . . 10.0 113.053 -170.199 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1955 ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -109.28 -4.73 16.24 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 126.588 1.955 . . . . 10.0 113.662 173.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1956 ' ' ASP . . . . . . . . . . . . . 38.6 t70 . . . . . 0 N--CA 1.478 0.929 0 C-N-CA 127.779 2.432 . . . . 10.0 113.278 176.836 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.603 0 N-CA-C 111.638 -0.585 . . . . 10.0 111.638 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' -3' ' ' ALA . . . . . . . . . . . . . . . -67.51 168.75 10.37 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 124.486 1.114 . . . . 10.0 112.824 177.311 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 63.5 mtt -70.33 117.39 11.82 Favored 'General case' 0 N--CA 1.471 0.602 0 O-C-N 121.05 -1.031 . . . . 10.0 111.438 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' -1' ' ' VAL . . . . . . . . . . . . . 31.1 m -66.01 163.32 2.43 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 C-N-CA 124.491 1.116 . . . . 10.0 112.594 173.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1863 ' ' VAL . . . . . . . . . . . . . 7.1 p -67.56 152.39 9.64 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.951 0 C-N-CA 124.408 1.083 . . . . 10.0 111.877 174.029 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1864 ' ' ASN . . . . . . . . . . . . . 29.7 m120 -99.45 1.53 44.2 Favored 'General case' 0 CA--C 1.555 1.139 0 C-N-CA 125.398 1.479 . . . . 10.0 114.429 -176.087 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1865 ' ' CYS . . . . . . . . . . . . . 92.0 m -61.89 92.81 0.04 OUTLIER 'General case' 0 CA--C 1.559 1.302 0 C-N-CA 126.42 1.888 . . . . 10.0 113.102 -177.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1866 ' ' GLY . . . . . . . . . . . . . . . -136.25 30.12 2.75 Favored Glycine 0 CA--C 1.532 1.137 0 C-N-CA 126.963 2.221 . . . . 10.0 113.86 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1867 ' ' HIS . . . . . . . . . . . . . 52.6 t-80 -134.63 170.97 15.0 Favored 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 126.308 1.843 . . . . 10.0 110.316 -172.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1868 ' ' VAL . . . . . . . . . . . . . 10.2 p -71.76 126.92 33.12 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 CA-C-O 122.473 1.13 . . . . 10.0 112.745 -175.102 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1869 ' ' THR . . . . . . . . . . . . . 40.1 p -140.41 169.86 16.88 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 127.65 2.38 . . . . 10.0 109.84 176.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1870 ' ' ALA . . . . . . . . . . . . . . . -135.44 135.87 40.89 Favored 'General case' 0 CA--C 1.559 1.29 0 C-N-CA 124.55 1.14 . . . . 10.0 110.399 175.623 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1871 ' ' TYR . . . . . . . . . . . . . 50.8 p90 -155.99 167.74 29.45 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.753 1.621 . . . . 10.0 113.385 179.444 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1872 ' ' GLY . . . . . . . . . . . . . . . 131.36 165.36 11.42 Favored Glycine 0 C--N 1.349 1.3 0 C-N-CA 125.796 1.665 . . . . 10.0 114.402 176.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1873 ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -69.85 -27.32 26.18 Favored 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 123.087 2.525 . . . . 10.0 113.875 -176.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1874 ' ' GLY . . . . . . . . . . . . . . . -68.6 -6.38 49.49 Favored Glycine 0 CA--C 1.539 1.563 0 CA-C-O 118.506 -1.163 . . . . 10.0 115.839 178.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1875 ' ' LEU . . . . . . . . . . . . . 34.1 mt -90.09 -5.24 56.75 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 119.042 1.421 . . . . 10.0 112.812 169.309 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1876 ' ' THR . . . . . . . . . . . . . 23.8 m -129.38 -42.35 1.34 Allowed 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 124.626 1.17 . . . . 10.0 112.306 -168.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1877 ' ' HIS . . . . . . . . . . . . . 69.7 t60 -133.26 166.11 23.23 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 126.656 1.983 . . . . 10.0 110.959 177.04 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1878 ' ' GLY . . . . . . . . . . . . . . . -150.04 174.05 29.58 Favored Glycine 0 N--CA 1.471 1.022 0 C-N-CA 124.25 0.929 . . . . 10.0 113.341 -177.101 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1879 ' ' VAL . . . . . . . . . . . . . 14.2 p -148.26 147.04 17.38 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 C-N-CA 127.438 2.295 . . . . 10.0 107.595 175.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1880 ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -111.34 151.5 13.44 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 CA-C-O 122.611 1.196 . . . . 10.0 114.122 -167.338 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1881 ' ' ASN . . . . . . . . . . . . . 55.1 m-80 57.99 11.65 1.53 Allowed 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 127.903 2.481 . . . . 10.0 115.181 -168.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1882 ' ' LYS . . . . . . . . . . . . . 8.0 pttt -137.39 162.11 56.97 Favored Pre-proline 0 CA--C 1.55 0.967 0 C-N-CA 126.212 1.805 . . . . 10.0 109.175 168.368 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1883 ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -69.99 153.81 67.47 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.131 1.887 . . . . 10.0 113.906 -172.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1884 ' ' ALA . . . . . . . . . . . . . . . -135.96 151.88 50.39 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 126.577 1.951 . . . . 10.0 110.44 168.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1885 ' ' THR . . . . . . . . . . . . . 27.9 p -149.6 163.02 39.02 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 121.198 -0.939 . . . . 10.0 113.17 -169.171 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1886 ' ' PHE . . . . . . . . . . . . . 48.6 p90 -146.82 176.49 9.84 Favored 'General case' 0 C--O 1.241 0.656 0 C-N-CA 124.692 1.197 . . . . 10.0 111.446 169.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1887 ' ' THR . . . . . . . . . . . . . 43.1 m -119.05 135.57 54.57 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 125.603 1.561 . . . . 10.0 111.155 -173.192 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1888 ' ' VAL . . . . . . . . . . . . . 1.3 m -139.45 153.71 24.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 126.205 1.802 . . . . 10.0 108.544 170.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1889 ' ' ASN . . . . . . . . . . . . . 44.4 t30 -141.35 90.03 2.27 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 114.732 -1.122 . . . . 10.0 112.957 -168.471 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1890 ' ' THR . . . . . . . . . . . . . 9.3 p -80.15 2.87 22.48 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.609 1.564 . . . . 10.0 114.968 -175.244 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1891 ' ' LYS . . . . . . . . . . . . . 24.0 mtpt -60.84 135.3 57.74 Favored 'General case' 0 N--CA 1.473 0.719 0 O-C-N 121.03 -1.044 . . . . 10.0 111.742 177.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 20.2 m-20 55.17 15.55 1.31 Allowed 'General case' 0 CA--C 1.559 1.296 0 C-N-CA 128.985 2.914 . . . . 10.0 114.507 179.074 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1893 ' ' ALA . . . . . . . . . . . . . . . -67.58 -23.51 65.4 Favored 'General case' 0 C--N 1.352 0.693 0 N-CA-C 115.208 1.559 . . . . 10.0 115.208 -178.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . 128.97 -173.28 19.43 Favored Glycine 0 CA--C 1.531 1.055 0 CA-C-O 123.286 1.492 . . . . 10.0 112.187 -177.014 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1895 ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -76.61 -2.85 34.68 Favored 'General case' 0 CA--C 1.558 1.258 0 C-N-CA 125.581 1.552 . . . . 10.0 113.657 178.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1896 ' ' GLY . . . . . . . . . . . . . . . -71.88 -176.5 26.58 Favored Glycine 0 CA--C 1.535 1.3 0 C-N-CA 127.026 2.25 . . . . 10.0 115.32 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1897 ' ' GLY . . . . . . . . . . . . . . . -140.65 116.58 1.16 Allowed Glycine 0 CA--C 1.529 0.949 0 C-N-CA 125.778 1.656 . . . . 10.0 111.318 -179.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1898 ' ' LEU . . . . . . . . . . . . . 7.0 tt -58.68 144.31 43.84 Favored 'General case' 0 C--O 1.24 0.589 0 C-N-CA 124.44 1.096 . . . . 10.0 111.416 176.694 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1899 ' ' SER . . . . . . . . . . . . . 35.6 t -135.83 133.59 37.97 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 125.024 1.33 . . . . 10.0 110.223 171.428 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1900 ' ' LEU . . . . . . . . . . . . . 3.2 pp -141.83 167.15 22.83 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 124.895 1.278 . . . . 10.0 114.034 170.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1901 ' ' ALA . . . . . . . . . . . . . . . -148.42 164.02 35.36 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.308 1.443 . . . . 10.0 111.754 170.036 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1902 ' ' ILE . . . . . . . . . . . . . 1.4 mp -114.99 144.95 21.4 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 C-N-CA 124.997 1.319 . . . . 10.0 109.241 168.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1903 ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -129.12 160.07 34.01 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 126.221 1.809 . . . . 10.0 110.929 173.24 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1904 ' ' GLY . . . . . . . . . . . . . . . 163.57 -173.86 39.72 Favored Glycine 0 N--CA 1.474 1.171 0 C-N-CA 124.092 0.853 . . . . 10.0 112.959 -173.491 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1905 ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -72.71 -27.23 15.27 Favored 'Trans proline' 0 N--CA 1.483 0.898 0 C-N-CA 123.06 2.507 . . . . 10.0 112.927 178.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1906 ' ' SER . . . . . . . . . . . . . 7.8 t -145.39 47.03 1.3 Allowed 'General case' 0 N--CA 1.481 1.077 0 CA-C-O 124.163 1.935 . . . . 10.0 111.799 -165.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1907 ' ' LYS . . . . . . . . . . . . . 88.5 tttt -28.84 110.7 0.05 Allowed 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 130.551 3.54 . . . . 10.0 113.886 -174.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1908 ' ' ALA . . . . . . . . . . . . . . . -65.94 153.12 42.94 Favored 'General case' 0 C--O 1.243 0.714 0 C-N-CA 125.826 1.65 . . . . 10.0 112.545 177.507 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1909 ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -76.01 140.64 42.07 Favored 'General case' 0 CA--C 1.552 1.047 0 O-C-N 121.75 -0.594 . . . . 10.0 112.056 172.11 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1910 ' ' ILE . . . . . . . . . . . . . 32.9 mm -85.09 132.96 30.46 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.681 0 C-N-CA 125.233 1.413 . . . . 10.0 111.068 178.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1911 ' ' SER . . . . . . . . . . . . . 8.7 t -144.53 173.44 11.8 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 126.696 1.998 . . . . 10.0 110.515 169.481 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1912 ' ' CYS . . . . . . . . . . . . . 30.1 p -150.44 175.09 12.19 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 120.004 1.275 . . . . 10.0 112.836 173.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1913 ' ' THR . . . . . . . . . . . . . 15.2 t -60.24 150.08 31.25 Favored 'General case' 0 C--O 1.247 0.972 0 O-C-N 121.76 -0.588 . . . . 10.0 111.188 171.047 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1914 ' ' ASP . . . . . . . . . . . . . 33.8 t70 -66.92 -60.03 3.0 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.355 0.662 . . . . 10.0 110.865 171.216 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1915 ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -165.03 164.8 20.44 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 127.214 2.206 . . . . 10.0 110.788 167.2 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1916 ' ' GLN . . . . . . . . . . . . . 57.7 tp60 -150.36 -56.11 0.17 Allowed 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.378 1.471 . . . . 10.0 109.589 171.49 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1917 ' ' ASP . . . . . . . . . . . . . 35.7 t70 -146.86 -20.52 0.41 Allowed 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 114.3 1.222 . . . . 10.0 114.3 -178.21 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1918 ' ' GLY . . . . . . . . . . . . . . . 136.43 8.45 1.52 Allowed Glycine 0 CA--C 1.543 1.784 0 C-N-CA 125.727 1.632 . . . . 10.0 114.544 -172.04 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1919 ' ' THR . . . . . . . . . . . . . 20.0 p -66.86 168.94 8.85 Favored 'General case' 0 C--O 1.243 0.726 0 C-N-CA 126.802 2.041 . . . . 10.0 113.109 168.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1920 ' ' CYS . . . . . . . . . . . . . 4.1 t -121.72 15.92 11.05 Favored 'General case' 0 CA--C 1.556 1.209 0 C-N-CA 125.594 1.558 . . . . 10.0 111.852 173.624 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1921 ' ' SER . . . . . . . . . . . . . 63.0 m -37.46 103.25 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 128.438 2.695 . . . . 10.0 114.912 -167.409 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1922 ' ' VAL . . . . . . . . . . . . . 53.4 t -80.93 141.02 15.78 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 C-N-CA 126.016 1.726 . . . . 10.0 111.624 -173.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1923 ' ' SER . . . . . . . . . . . . . 55.4 m -127.26 140.78 51.99 Favored 'General case' 0 C--O 1.241 0.607 0 C-N-CA 127.487 2.315 . . . . 10.0 111.704 178.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1924 ' ' TYR . . . . . . . . . . . . . 24.4 p90 -140.38 168.57 19.5 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 125.342 1.457 . . . . 10.0 111.196 177.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1925 ' ' LEU . . . . . . . . . . . . . 1.1 tt -150.88 85.39 5.17 Favored Pre-proline 0 N--CA 1.481 1.096 0 O-C-N 120.791 -1.193 . . . . 10.0 109.681 -173.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1926 ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -74.48 158.2 44.35 Favored 'Trans proline' 0 N--CA 1.454 -0.821 0 C-N-CA 122.472 2.114 . . . . 10.0 111.37 -173.287 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1927 ' ' VAL . . . . . . . . . . . . . 35.5 m -124.72 -11.37 5.96 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 N-CA-C 114.325 1.231 . . . . 10.0 114.325 -173.402 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1928 ' ' LEU . . . . . . . . . . . . . 4.1 tt -142.38 130.48 11.57 Favored Pre-proline 0 CA--C 1.558 1.283 0 C-N-CA 125.549 1.54 . . . . 10.0 110.233 169.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1929 ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo -54.34 162.22 4.64 Favored 'Trans proline' 0 CA--C 1.536 0.612 0 C-N-CA 124.228 3.285 . . . . 10.0 116.097 -178.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1930 ' ' GLY . . . . . . . . . . . . . . . 161.98 -177.04 38.36 Favored Glycine 0 C--N 1.346 1.12 0 O-C-N 120.796 -1.19 . . . . 10.0 115.194 -171.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1931 ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -100.65 96.01 7.06 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.139 1.376 . . . . 10.0 109.271 174.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1932 ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -89.63 99.1 12.17 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 126.659 1.984 . . . . 10.0 112.036 -172.133 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1933 ' ' SER . . . . . . . . . . . . . 67.0 m -68.62 144.08 54.61 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.006 0.522 . . . . 10.0 110.984 175.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1934 ' ' ILE . . . . . . . . . . . . . 2.4 mm -121.9 116.05 48.16 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.854 0 C-N-CA 126.838 2.055 . . . . 10.0 109.391 175.43 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1935 ' ' LEU . . . . . . . . . . . . . 2.7 mm? -109.78 79.33 1.2 Allowed 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 125.369 1.468 . . . . 10.0 111.392 -169.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1936 ' ' VAL . . . . . . . . . . . . . 4.6 t -92.71 125.13 45.33 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.294 0 C-N-CA 123.925 0.89 . . . . 10.0 111.324 -174.091 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1937 ' ' LYS . . . . . . . . . . . . . 51.5 mttp -126.31 155.82 41.39 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 125.995 1.718 . . . . 10.0 114.014 174.065 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1938 ' ' TYR . . . . . . . . . . . . . 18.8 t80 -144.35 127.93 17.07 Favored 'General case' 0 C--O 1.239 0.539 0 C-N-CA 125.22 1.408 . . . . 10.0 108.18 169.022 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1939 ' ' ASN . . . . . . . . . . . . . 48.0 t30 48.59 63.96 1.88 Allowed 'General case' 0 CA--C 1.555 1.138 0 C-N-CA 126.051 1.741 . . . . 10.0 113.102 -171.593 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1940 ' ' GLU . . . . . . . . . . . . 0.324 10.9 pt-20 52.72 9.53 0.12 Allowed 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 130.432 3.493 . . . . 10.0 117.767 179.654 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1941 ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -127.95 151.34 49.23 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 126.732 2.013 . . . . 10.0 109.98 -178.342 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1942 ' ' HIS . . . . . . . . . . . . . 73.3 m-70 -64.61 149.55 48.67 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-N 120.983 1.719 . . . . 10.0 113.123 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1943 ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -68.82 165.9 32.61 Favored Pre-proline 0 CA--C 1.542 0.663 0 C-N-CA 125.966 1.706 . . . . 10.0 112.499 174.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1944 ' ' PRO . . . . . . . . . . . . . 57.5 Cg_exo -54.15 101.0 0.07 OUTLIER 'Trans proline' 0 CA--C 1.55 1.298 1 C-N-CA 126.079 4.519 . . . . 10.0 113.007 -177.097 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1945 ' ' GLY . . . . . . . . . . . . . . . 95.66 -6.05 67.36 Favored Glycine 0 CA--C 1.535 1.308 0 C-N-CA 125.991 1.758 . . . . 10.0 116.086 179.074 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1946 ' ' SER . . . . . . . . . . . . . 48.7 m -75.34 159.77 81.36 Favored Pre-proline 0 CA--C 1.553 1.064 0 C-N-CA 124.669 1.187 . . . . 10.0 113.09 175.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1947 ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -70.63 164.87 80.62 Favored 'Cis proline' 0 N--CA 1.492 1.4 0 CA-C-N 119.978 1.028 . . . . 10.0 112.475 -3.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1948 ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -119.5 165.63 14.15 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 126.186 1.794 . . . . 10.0 111.601 176.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1949 ' ' THR . . . . . . . . . . . . . 52.3 m -145.16 107.91 4.47 Favored 'General case' 0 N--CA 1.483 1.207 0 O-C-N 120.75 -1.219 . . . . 10.0 109.662 171.609 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1950 ' ' ALA . . . . . . . . . . . . . . . -78.04 160.78 27.91 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 123.829 0.852 . . . . 10.0 112.095 171.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1951 ' ' ARG . . . . . . . . . . . . . 53.4 ttt85 -127.89 95.99 4.37 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 113.649 0.981 . . . . 10.0 113.649 173.268 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1952 ' ' VAL . . . . . . . . . . . . . 26.0 t -57.57 134.89 22.01 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 129.048 2.939 . . . . 10.0 112.581 171.485 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1953 ' ' THR . . . . . . . . . . . . . 6.7 t -109.04 158.94 17.26 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.832 1.253 . . . . 10.0 112.02 171.247 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1954 ' ' GLY . . . . . . . . . . . . . . . -88.0 166.7 35.62 Favored Glycine 0 CA--C 1.542 1.77 0 N-CA-C 116.851 1.5 . . . . 10.0 116.851 -169.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1955 ' ' ASP . . . . . . . . . . . . . 25.7 t70 -75.24 -38.92 60.38 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.891 1.276 . . . . 10.0 111.72 172.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1956 ' ' ASP . . . . . . . . . . . . . 35.0 t70 . . . . . 0 C--O 1.249 1.053 0 C-N-CA 125.843 1.657 . . . . 10.0 112.63 175.04 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.727 0 N-CA-C 112.136 -0.385 . . . . 10.0 112.136 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' -3' ' ' ALA . . . . . . . . . . . . . . . -135.74 137.15 41.4 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 125.796 1.638 . . . . 10.0 111.724 178.236 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 2.7 mmt -116.77 12.6 14.89 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 126.858 2.063 . . . . 10.0 112.712 -178.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -1' ' ' VAL . . . . . . . . . . . . . 35.7 m -64.21 -6.72 2.9 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 126.596 1.958 . . . . 10.0 115.466 -173.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1863 ' ' VAL . . . . . . . . . . . . . 33.3 m -55.25 -12.77 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 C-N-CA 127.896 2.479 . . . . 10.0 116.206 -173.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1864 ' ' ASN . . . . . . . . . . . . . 8.1 p30 -123.51 -79.34 0.61 Allowed 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.676 1.19 . . . . 10.0 112.343 172.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1865 ' ' CYS . . . . . . . . . . . . . 28.1 p -71.27 -13.45 61.9 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 115.942 1.83 . . . . 10.0 115.942 -172.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1866 ' ' GLY . . . . . . . . . . . . . . . -96.09 13.04 66.5 Favored Glycine 0 CA--C 1.532 1.141 0 C-N-CA 125.735 1.636 . . . . 10.0 115.119 -173.162 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1867 ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -70.08 -32.85 71.13 Favored 'General case' 0 CA--C 1.549 0.933 0 CA-C-N 119.156 1.478 . . . . 10.0 112.872 -177.548 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1868 ' ' VAL . . . . . . . . . . . . . 6.3 p -72.67 133.08 32.46 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 C-N-CA 123.515 0.726 . . . . 10.0 109.696 166.352 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1869 ' ' THR . . . . . . . . . . . . . 64.9 p -142.59 159.26 42.59 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.651 0.781 . . . . 10.0 109.954 179.558 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1870 ' ' ALA . . . . . . . . . . . . . . . -120.76 138.17 54.14 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 124.068 0.947 . . . . 10.0 110.763 176.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1871 ' ' TYR . . . . . . . . . . . . . 49.6 p90 -154.43 153.18 31.12 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.884 1.274 . . . . 10.0 112.314 -175.624 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1872 ' ' GLY . . . . . . . . . . . . . . . 139.6 167.23 10.91 Favored Glycine 0 N--CA 1.478 1.476 0 C-N-CA 126.283 1.896 . . . . 10.0 112.57 -179.04 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1873 ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -66.15 -25.97 50.25 Favored 'Trans proline' 0 N--CA 1.478 0.57 0 C-N-CA 122.966 2.444 . . . . 10.0 111.622 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1874 ' ' GLY . . . . . . . . . . . . . . . -64.44 -7.36 26.21 Favored Glycine 0 CA--C 1.532 1.154 0 N-CA-C 116.582 1.393 . . . . 10.0 116.582 178.26 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1875 ' ' LEU . . . . . . . . . . . . . 72.1 mt -92.91 -11.55 33.16 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 119.082 1.441 . . . . 10.0 113.491 173.604 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1876 ' ' THR . . . . . . . . . . . . . 75.1 p -126.98 -28.81 2.86 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 114.529 1.307 . . . . 10.0 114.529 -176.357 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1877 ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -138.58 174.25 10.73 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 126.601 1.96 . . . . 10.0 110.679 178.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1878 ' ' GLY . . . . . . . . . . . . . . . -160.99 176.43 37.58 Favored Glycine 0 CA--C 1.54 1.649 0 O-C-N 121.161 -0.962 . . . . 10.0 113.535 176.05 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1879 ' ' VAL . . . . . . . . . . . . . 7.2 p -138.24 144.3 30.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 124.853 1.261 . . . . 10.0 110.994 174.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1880 ' ' VAL . . . . . . . . . . . . . 82.7 t -92.59 143.14 12.01 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 C-N-CA 127.005 2.122 . . . . 10.0 112.028 -169.1 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1881 ' ' ASN . . . . . . . . . . . . . 72.8 m-20 57.49 10.81 1.05 Allowed 'General case' 0 CA--C 1.554 1.112 0 C-N-CA 128.909 2.884 . . . . 10.0 116.662 179.192 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1882 ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -137.11 141.58 34.98 Favored Pre-proline 0 N--CA 1.478 0.936 0 O-C-N 120.121 -1.612 . . . . 10.0 108.785 167.61 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1883 ' ' PRO . . . . . . . . . . . . . 64.5 Cg_exo -52.77 140.98 55.97 Favored 'Trans proline' 0 C--O 1.245 0.85 0 C-N-CA 124.358 3.372 . . . . 10.0 115.002 -173.398 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1884 ' ' ALA . . . . . . . . . . . . . . . -121.66 157.59 30.53 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 126.724 2.01 . . . . 10.0 110.875 173.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1885 ' ' THR . . . . . . . . . . . . . 57.6 p -148.43 161.91 40.65 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 115.947 1.832 . . . . 10.0 115.947 -170.119 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1886 ' ' PHE . . . . . . . . . . . . . 54.7 p90 -157.16 165.22 36.6 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 127.273 2.229 . . . . 10.0 112.158 166.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1887 ' ' THR . . . . . . . . . . . . . 22.5 m -106.71 151.2 25.43 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 126.222 1.809 . . . . 10.0 111.469 -175.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1888 ' ' VAL . . . . . . . . . . . . . 2.2 m -146.92 49.65 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 C-N-CA 126.877 2.071 . . . . 10.0 110.924 -167.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1889 ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -50.77 120.16 4.52 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 126.836 2.055 . . . . 10.0 114.375 -172.704 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1890 ' ' THR . . . . . . . . . . . . . 62.2 p -100.56 13.16 35.59 Favored 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 127.965 2.506 . . . . 10.0 113.829 -172.497 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1891 ' ' LYS . . . . . . . . . . . . . 99.4 mttt -62.68 120.57 11.46 Favored 'General case' 0 C--O 1.239 0.525 0 C-N-CA 125.522 1.529 . . . . 10.0 110.462 -176.176 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 19.6 t70 53.5 26.08 5.27 Favored 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 128.359 2.664 . . . . 10.0 114.329 -176.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1893 ' ' ALA . . . . . . . . . . . . . . . -62.45 -44.7 95.77 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 126.274 1.83 . . . . 10.0 115.259 -175.158 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . 149.27 -157.78 27.39 Favored Glycine 0 CA--C 1.542 1.76 0 C-N-CA 123.402 0.525 . . . . 10.0 113.894 -169.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1895 ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -71.82 -1.61 14.74 Favored 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 126.439 1.896 . . . . 10.0 114.878 -174.027 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1896 ' ' GLY . . . . . . . . . . . . . . . 98.98 -179.05 31.11 Favored Glycine 0 CA--C 1.542 1.754 0 C-N-CA 125.818 1.675 . . . . 10.0 114.12 -174.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1897 ' ' GLY . . . . . . . . . . . . . . . 101.03 39.65 3.04 Favored Glycine 0 N--CA 1.478 1.445 0 O-C-N 120.773 -1.427 . . . . 10.0 115.501 173.484 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1898 ' ' LEU . . . . . . . . . . . . . 6.5 tt -69.67 123.96 22.73 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.218 1.407 . . . . 10.0 110.613 169.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1899 ' ' SER . . . . . . . . . . . . . 69.3 m -135.76 128.55 31.06 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 126.356 1.862 . . . . 10.0 110.796 178.65 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1900 ' ' LEU . . . . . . . . . . . . . 3.4 pp -145.35 167.37 23.06 Favored 'General case' 0 C--O 1.237 0.446 0 N-CA-C 113.973 1.101 . . . . 10.0 113.973 172.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1901 ' ' ALA . . . . . . . . . . . . . . . -147.88 161.72 40.73 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 114.809 -1.087 . . . . 10.0 110.369 168.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1902 ' ' ILE . . . . . . . . . . . . . 2.1 mp -109.37 124.44 66.06 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 N-CA-C 107.252 -1.388 . . . . 10.0 107.252 168.426 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1903 ' ' GLU . . . . . . . . . . . . . 39.3 mm-40 -104.88 165.25 11.2 Favored 'General case' 0 C--O 1.218 -0.585 0 C-N-CA 127.076 2.151 . . . . 10.0 110.259 168.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1904 ' ' GLY . . . . . . . . . . . . . . . 171.71 -172.18 44.49 Favored Glycine 0 CA--C 1.533 1.191 0 C-N-CA 123.565 0.602 . . . . 10.0 112.705 -179.274 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1905 ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -72.19 -23.24 21.39 Favored 'Trans proline' 0 C--N 1.358 1.036 0 C-N-CA 123.245 2.63 . . . . 10.0 113.081 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1906 ' ' SER . . . . . . . . . . . . . 11.7 t -142.04 13.51 2.05 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 126.125 1.77 . . . . 10.0 114.755 -166.07 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1907 ' ' LYS . . . . . . . . . . . . . 55.4 tptt 45.47 98.91 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.562 0 C-N-CA 128.97 2.908 . . . . 10.0 116.248 168.544 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1908 ' ' ALA . . . . . . . . . . . . . . . -65.44 153.3 41.72 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.955 0.902 . . . . 10.0 112.881 173.514 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1909 ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -88.6 118.65 28.41 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 124.542 1.137 . . . . 10.0 111.515 175.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1910 ' ' ILE . . . . . . . . . . . . . 22.2 mm -83.64 131.89 32.77 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.3 0 C-N-CA 125.308 1.443 . . . . 10.0 111.242 -173.106 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1911 ' ' SER . . . . . . . . . . . . . 57.7 m -140.8 162.53 35.22 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 126.375 1.87 . . . . 10.0 109.416 170.059 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1912 ' ' CYS . . . . . . . . . . . . . 28.9 p -151.71 168.44 25.03 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.373 1.069 . . . . 10.0 112.234 176.484 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1913 ' ' THR . . . . . . . . . . . . . 9.5 m -106.51 149.33 27.22 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.958 1.303 . . . . 10.0 111.859 -177.175 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1914 ' ' ASP . . . . . . . . . . . . . 36.6 p-10 -109.6 7.79 24.71 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 126.017 1.727 . . . . 10.0 115.612 -168.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1915 ' ' ASN . . . . . . . . . . . . . 31.9 m120 -63.82 119.99 11.05 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.84 1.256 . . . . 10.0 112.176 172.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1916 ' ' GLN . . . . . . . . . . . . . 55.3 mt-30 -74.13 56.91 0.63 Allowed 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 126.612 1.965 . . . . 10.0 112.924 179.129 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1917 ' ' ASP . . . . . . . . . . . . . 29.6 t70 -111.63 4.65 18.79 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 126.265 1.826 . . . . 10.0 114.287 -175.501 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1918 ' ' GLY . . . . . . . . . . . . . . . 94.2 34.1 6.59 Favored Glycine 0 CA--C 1.542 1.722 0 C-N-CA 124.623 1.106 . . . . 10.0 115.062 179.348 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1919 ' ' THR . . . . . . . . . . . . . 15.3 t -151.56 171.93 16.82 Favored 'General case' 0 N--CA 1.483 1.212 0 CA-C-O 122.02 0.914 . . . . 10.0 112.85 172.298 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1920 ' ' CYS . . . . . . . . . . . . . 3.4 t -122.31 29.37 7.01 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 128.038 2.535 . . . . 10.0 111.985 -179.121 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1921 ' ' SER . . . . . . . . . . . . . 68.3 m -33.02 119.99 0.34 Allowed 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 129.759 3.224 . . . . 10.0 114.313 -166.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1922 ' ' VAL . . . . . . . . . . . . . 52.6 t -105.21 132.06 52.95 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 C-N-CA 126.011 1.725 . . . . 10.0 110.804 -169.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1923 ' ' SER . . . . . . . . . . . . . 52.1 m -122.24 121.7 37.41 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 127.072 2.149 . . . . 10.0 110.085 173.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1924 ' ' TYR . . . . . . . . . . . . . 25.2 p90 -121.78 164.9 16.68 Favored 'General case' 0 C--O 1.232 0.172 0 C-N-CA 124.34 1.056 . . . . 10.0 111.314 177.277 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1925 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -146.04 89.77 5.96 Favored Pre-proline 0 CA--C 1.546 0.802 0 O-C-N 121.098 -1.001 . . . . 10.0 111.525 -174.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1926 ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -76.87 131.13 11.94 Favored 'Trans proline' 0 CA--C 1.538 0.681 0 C-N-CA 123.652 2.901 . . . . 10.0 111.503 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1927 ' ' VAL . . . . . . . . . . . . . 34.5 m -85.97 -18.86 8.66 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 N-CA-C 114.209 1.189 . . . . 10.0 114.209 -178.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1928 ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -138.58 161.42 58.8 Favored Pre-proline 0 N--CA 1.474 0.763 0 C-N-CA 125.801 1.64 . . . . 10.0 111.978 170.406 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1929 ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -70.26 163.01 40.22 Favored 'Trans proline' 0 CA--C 1.537 0.663 0 C-N-CA 124.705 3.603 . . . . 10.0 112.443 177.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1930 ' ' GLY . . . . . . . . . . . . . . . 160.09 179.67 35.04 Favored Glycine 0 N--CA 1.47 0.914 0 CA-C-O 122.009 0.783 . . . . 10.0 114.76 177.269 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1931 ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -92.53 86.72 5.7 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 124.85 1.26 . . . . 10.0 110.244 170.262 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1932 ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -78.95 154.6 29.48 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 124.425 1.09 . . . . 10.0 109.994 178.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1933 ' ' SER . . . . . . . . . . . . . 27.1 t -129.11 122.28 29.57 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 124.937 1.295 . . . . 10.0 110.178 -173.253 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1934 ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -94.03 113.7 29.21 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.501 0 C-N-CA 126.6 1.96 . . . . 10.0 108.822 -178.686 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1935 ' ' LEU . . . . . . . . . . . . . 2.8 mm? -99.1 89.88 4.41 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 125.455 1.502 . . . . 10.0 110.664 177.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1936 ' ' VAL . . . . . . . . . . . . . 4.1 t -90.63 133.26 32.97 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.439 0 O-C-N 119.771 -1.83 . . . . 10.0 110.813 179.561 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1937 ' ' LYS . . . . . . . . . . . . . 63.0 mttm -130.02 151.71 50.27 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 127.888 2.475 . . . . 10.0 111.646 171.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1938 ' ' TYR . . . . . . . . . . . . . 36.8 t80 -139.88 109.39 6.23 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.502 1.521 . . . . 10.0 109.269 169.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1939 ' ' ASN . . . . . . . . . . . . . 8.5 t-20 52.49 73.99 0.31 Allowed 'General case' 0 CA--C 1.556 1.183 0 C-N-CA 125.365 1.466 . . . . 10.0 112.648 -169.255 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1940 ' ' GLU . . . . . . . . . . . . . 3.7 tp10 73.29 -26.27 0.19 Allowed 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 128.8 2.84 . . . . 10.0 115.096 172.167 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1941 ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -116.88 151.14 37.22 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 125.302 1.441 . . . . 10.0 111.793 -170.59 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1942 ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -67.27 153.7 43.06 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-O 122.7 1.238 . . . . 10.0 112.771 -172.117 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1943 ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -71.96 165.81 46.53 Favored Pre-proline 0 CA--C 1.543 0.678 0 C-N-CA 125.749 1.62 . . . . 10.0 112.259 175.005 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1944 ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -58.57 111.49 0.89 Allowed 'Trans proline' 0 CA--C 1.548 1.217 0 C-N-CA 124.833 3.688 . . . . 10.0 112.534 -175.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1945 ' ' GLY . . . . . . . . . . . . . . . 85.75 -5.72 82.86 Favored Glycine 0 CA--C 1.533 1.204 0 C-N-CA 124.832 1.206 . . . . 10.0 116.076 179.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1946 ' ' SER . . . . . . . . . . . . . 46.6 m -68.77 158.72 85.05 Favored Pre-proline 0 N--CA 1.478 0.969 0 CA-C-N 119.098 1.449 . . . . 10.0 113.211 176.415 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1947 ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -75.68 170.42 71.87 Favored 'Cis proline' 0 CA--C 1.54 0.795 0 CA-C-N 119.465 0.845 . . . . 10.0 113.954 -2.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1948 ' ' PHE . . . . . . . . . . . . . 33.8 m-85 -119.0 164.22 15.8 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 124.471 1.108 . . . . 10.0 111.179 177.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1949 ' ' THR . . . . . . . . . . . . . 62.9 m -134.56 107.09 7.33 Favored 'General case' 0 N--CA 1.488 1.441 0 C-N-CA 125.751 1.62 . . . . 10.0 110.263 -176.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1950 ' ' ALA . . . . . . . . . . . . . . . -99.81 117.75 34.79 Favored 'General case' 0 C--O 1.24 0.583 0 C-N-CA 127.301 2.24 . . . . 10.0 113.307 -178.432 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1951 ' ' ARG . . . . . . . . . . . . . 31.2 ttm180 -85.79 87.6 7.43 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-O 123.073 1.416 . . . . 10.0 114.1 175.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1952 ' ' VAL . . . . . . . . . . . . . 25.7 t -57.79 111.15 0.44 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.586 0 C-N-CA 129.042 2.937 . . . . 10.0 111.375 168.34 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1953 ' ' THR . . . . . . . . . . . . . 91.4 m -96.87 138.61 34.16 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 125.944 1.698 . . . . 10.0 111.136 -179.32 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1954 ' ' GLY . . . . . . . . . . . . . . . -78.88 172.36 55.26 Favored Glycine 0 CA--C 1.543 1.797 0 C-N-CA 125.219 1.39 . . . . 10.0 115.531 -169.437 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1955 ' ' ASP . . . . . . . . . . . . . 33.8 t70 -135.95 -40.51 0.68 Allowed 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 125.494 1.518 . . . . 10.0 114.561 -171.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1956 ' ' ASP . . . . . . . . . . . . . 22.2 t70 . . . . . 0 N--CA 1.477 0.891 0 C-N-CA 126.968 2.107 . . . . 10.0 112.595 179.147 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.279 0 N-CA-C 111.383 -0.687 . . . . 10.0 111.383 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' -3' ' ' ALA . . . . . . . . . . . . . . . -73.5 174.4 8.27 Favored 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 124.928 1.291 . . . . 10.0 113.259 176.378 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 1.8 mpt? 57.55 23.13 8.88 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 126.003 1.721 . . . . 10.0 114.887 178.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -1' ' ' VAL . . . . . . . . . . . . . 8.8 p -58.04 -27.39 31.42 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 125.643 1.577 . . . . 10.0 113.322 177.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1863 ' ' VAL . . . . . . . . . . . . . 35.6 m -75.69 -14.23 15.23 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 125.671 1.588 . . . . 10.0 114.872 179.336 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1864 ' ' ASN . . . . . . . . . . . . . 16.9 m120 -81.63 73.78 8.65 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 125.096 1.359 . . . . 10.0 113.268 -172.064 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1865 ' ' CYS . . . . . . . . . . . . . 76.1 m -69.28 -22.9 63.78 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 125.457 1.503 . . . . 10.0 114.644 175.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1866 ' ' GLY . . . . . . . . . . . . . . . 76.97 -78.02 1.44 Allowed Glycine 0 CA--C 1.538 1.492 0 C-N-CA 125.288 1.423 . . . . 10.0 114.69 174.149 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1867 ' ' HIS . . . . . . . . . . . . . 58.4 t60 -66.13 155.25 37.43 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.379 1.071 . . . . 10.0 113.075 -178.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1868 ' ' VAL . . . . . . . . . . . . . 14.7 p -67.19 138.74 22.23 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 N-CA-C 114.094 1.146 . . . . 10.0 114.094 -173.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1869 ' ' THR . . . . . . . . . . . . . 40.7 p -141.33 167.64 21.7 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 127.345 2.258 . . . . 10.0 109.975 169.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1870 ' ' ALA . . . . . . . . . . . . . . . -125.97 137.52 53.69 Favored 'General case' 0 C--O 1.24 0.563 0 C-N-CA 126.191 1.796 . . . . 10.0 110.7 169.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1871 ' ' TYR . . . . . . . . . . . . . 28.8 p90 -155.19 151.56 28.32 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.076 1.35 . . . . 10.0 112.084 -176.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1872 ' ' GLY . . . . . . . . . . . . . . . 143.42 175.33 16.43 Favored Glycine 0 CA--C 1.528 0.879 0 O-C-N 121.278 -0.889 . . . . 10.0 114.316 179.247 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1873 ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -67.0 -33.62 31.7 Favored 'Trans proline' 0 C--N 1.355 0.887 0 C-N-CA 123.245 2.63 . . . . 10.0 112.441 -179.168 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1874 ' ' GLY . . . . . . . . . . . . . . . -74.06 5.98 23.17 Favored Glycine 0 N--CA 1.476 1.318 0 C-N-CA 126.698 2.094 . . . . 10.0 115.125 -177.114 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1875 ' ' LEU . . . . . . . . . . . . . 51.1 mt -105.76 -11.86 16.11 Favored 'General case' 0 CA--C 1.549 0.913 0 CA-C-N 119.319 1.559 . . . . 10.0 113.119 169.207 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1876 ' ' THR . . . . . . . . . . . . . 36.6 p -122.65 -33.13 3.46 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 126.208 1.803 . . . . 10.0 111.627 -174.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1877 ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -132.18 174.06 10.6 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 128.6 2.76 . . . . 10.0 110.985 173.446 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1878 ' ' GLY . . . . . . . . . . . . . . . -151.86 -178.77 26.91 Favored Glycine 0 CA--C 1.53 0.978 0 C-N-CA 125.455 1.502 . . . . 10.0 112.147 172.449 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1879 ' ' VAL . . . . . . . . . . . . . 12.9 p -147.64 144.41 19.4 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 C-N-CA 125.931 1.692 . . . . 10.0 107.81 173.045 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1880 ' ' VAL . . . . . . . . . . . . 0.259 0.3 OUTLIER -100.27 142.11 16.07 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 N-CA-C 113.621 0.971 . . . . 10.0 113.621 -168.074 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A 1881 ' ' ASN . . . . . . . . . . . . 0.264 67.2 m-80 61.19 11.84 3.76 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 126.584 1.954 . . . . 10.0 115.716 -174.286 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1882 ' ' LYS . . . . . . . . . . . . . 5.8 tptp -126.66 132.35 24.28 Favored Pre-proline 0 N--CA 1.485 1.303 0 C-N-CA 127.842 2.457 . . . . 10.0 108.067 168.497 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1883 ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -57.57 131.95 47.47 Favored 'Trans proline' 0 C--N 1.352 0.711 0 C-N-CA 122.729 2.286 . . . . 10.0 110.466 -176.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1884 ' ' ALA . . . . . . . . . . . . . . . -106.65 154.15 21.35 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 126.734 2.014 . . . . 10.0 109.686 177.169 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1885 ' ' THR . . . . . . . . . . . . . 66.9 p -149.77 163.1 38.89 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 113.599 0.963 . . . . 10.0 113.599 -171.365 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1886 ' ' PHE . . . . . . . . . . . . . 54.7 p90 -151.07 165.32 34.17 Favored 'General case' 0 C--O 1.239 0.552 0 C-N-CA 126.065 1.746 . . . . 10.0 111.061 168.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1887 ' ' THR . . . . . . . . . . . . . 89.5 m -98.42 142.04 30.54 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.732 1.213 . . . . 10.0 110.425 -179.135 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1888 ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -128.08 148.88 32.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 C-N-CA 126.904 2.082 . . . . 10.0 108.273 168.592 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1889 ' ' ASN . . . . . . . . . . . . . 51.3 t30 -132.87 77.0 1.72 Allowed 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 125.522 1.529 . . . . 10.0 112.623 -167.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1890 ' ' THR . . . . . . . . . . . . . 28.6 p -81.2 4.78 19.07 Favored 'General case' 0 N--CA 1.491 1.602 0 N-CA-C 115.712 1.745 . . . . 10.0 115.712 -171.663 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1891 ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -46.9 -44.58 19.87 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 117.647 2.462 . . . . 10.0 117.647 -166.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 25.0 t0 -130.58 29.09 4.85 Favored 'General case' 0 CA--C 1.55 0.977 0 CA-C-O 122.568 1.175 . . . . 10.0 112.781 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1893 ' ' ALA . . . . . . . . . . . . . . . -74.38 -41.32 61.17 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 126.519 1.928 . . . . 10.0 114.858 -170.501 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . 140.22 -156.1 24.9 Favored Glycine 0 N--CA 1.473 1.113 0 C-N-CA 125.435 1.493 . . . . 10.0 112.541 -170.424 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1895 ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -65.53 147.87 52.69 Favored 'General case' 0 CA--C 1.547 0.849 0 O-C-N 121.77 -0.841 . . . . 10.0 110.699 170.054 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1896 ' ' GLY . . . . . . . . . . . . . . . -75.04 65.12 2.3 Favored Glycine 0 CA--C 1.529 0.921 0 C-N-CA 125.466 1.507 . . . . 10.0 114.824 -171.271 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1897 ' ' GLY . . . . . . . . . . . . . . . -96.3 29.28 10.42 Favored Glycine 0 CA--C 1.53 0.975 0 C-N-CA 127.252 2.358 . . . . 10.0 114.113 178.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1898 ' ' LEU . . . . . . . . . . . . . 5.7 tt -64.57 122.9 17.9 Favored 'General case' 0 C--O 1.243 0.76 0 CA-C-N 119.44 1.62 . . . . 10.0 111.226 172.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1899 ' ' SER . . . . . . . . . . . . . 32.7 t -142.21 140.53 32.36 Favored 'General case' 0 C--O 1.24 0.562 0 C-N-CA 123.655 0.782 . . . . 10.0 111.061 169.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1900 ' ' LEU . . . . . . . . . . . . . 25.0 mt -113.7 154.32 27.49 Favored 'General case' 0 C--O 1.243 0.729 0 CA-C-O 122.794 1.283 . . . . 10.0 114.363 -178.355 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1901 ' ' ALA . . . . . . . . . . . . . . . -143.87 162.3 36.45 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 125.534 1.534 . . . . 10.0 109.102 165.404 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1902 ' ' ILE . . . . . . . . . . . . . 1.4 tt -145.32 154.91 13.62 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 C-N-CA 124.855 1.262 . . . . 10.0 109.685 -179.618 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1903 ' ' GLU . . . . . . . . . . . . . 83.0 mt-10 -126.22 -177.3 3.92 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.34 1.456 . . . . 10.0 109.401 174.257 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1904 ' ' GLY . . . . . . . . . . . . . . . 132.25 -175.27 19.94 Favored Glycine 0 CA--C 1.547 2.062 0 C-N-CA 124.199 0.904 . . . . 10.0 112.449 -177.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1905 ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -70.21 -26.48 25.43 Favored 'Trans proline' 0 CA--C 1.537 0.636 0 C-N-CA 122.001 1.801 . . . . 10.0 114.759 177.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1906 ' ' SER . . . . . . . . . . . . . 6.8 t -153.12 60.43 0.78 Allowed 'General case' 0 CA--C 1.549 0.938 0 CA-C-O 123.573 1.654 . . . . 10.0 111.901 -164.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1907 ' ' LYS . . . . . . . . . . . . . 63.4 mtpt -32.75 121.87 0.35 Allowed 'General case' 0 N--CA 1.494 1.731 0 C-N-CA 130.148 3.379 . . . . 10.0 113.121 -174.355 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1908 ' ' ALA . . . . . . . . . . . . . . . -74.02 168.05 20.29 Favored 'General case' 0 C--N 1.348 0.522 0 N-CA-C 113.63 0.974 . . . . 10.0 113.63 -178.421 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1909 ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -106.6 113.25 26.65 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.023 0.929 . . . . 10.0 110.799 171.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1910 ' ' ILE . . . . . . . . . . . . . 1.7 mp -70.97 150.69 9.37 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.187 0 C-N-CA 127.097 2.159 . . . . 10.0 113.023 -174.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1911 ' ' SER . . . . . . . . . . . . . 7.6 t -146.05 173.71 11.94 Favored 'General case' 0 CA--C 1.564 1.509 0 C-N-CA 128.184 2.594 . . . . 10.0 110.377 167.503 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1912 ' ' CYS . . . . . . . . . . . . . 29.4 p -150.79 163.2 39.19 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 120.2 -1.562 . . . . 10.0 114.06 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1913 ' ' THR . . . . . . . . . . . . . 97.4 m -140.03 120.87 14.47 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.887 1.275 . . . . 10.0 109.101 -177.486 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1914 ' ' ASP . . . . . . . . . . . . . 3.4 p30 -69.12 -10.35 57.24 Favored 'General case' 0 N--CA 1.484 1.257 0 N-CA-C 115.478 1.659 . . . . 10.0 115.478 179.442 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1915 ' ' ASN . . . . . . . . . . . . . 39.0 t30 58.59 1.98 0.2 Allowed 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 128.854 2.862 . . . . 10.0 116.574 174.456 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1916 ' ' GLN . . . . . . . . . . . . . 58.6 mt-30 59.31 3.81 0.42 Allowed 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 126.787 2.035 . . . . 10.0 115.907 -168.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1917 ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -115.76 1.37 13.44 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-N 120.205 1.366 . . . . 10.0 114.178 178.772 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1918 ' ' GLY . . . . . . . . . . . . . . . 97.83 -3.92 60.99 Favored Glycine 0 CA--C 1.53 1.017 0 C-N-CA 125.19 1.376 . . . . 10.0 115.566 175.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1919 ' ' THR . . . . . . . . . . . . . 71.6 p -71.95 173.18 8.71 Favored 'General case' 0 N--CA 1.481 1.09 0 CA-C-N 119.262 1.531 . . . . 10.0 111.663 169.317 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1920 ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -123.76 17.36 9.47 Favored 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 114.696 1.369 . . . . 10.0 114.696 -176.285 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1921 ' ' SER . . . . . . . . . . . . . 44.2 m -12.81 99.95 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 130.539 3.535 . . . . 10.0 115.65 -176.318 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1922 ' ' VAL . . . . . . . . . . . . . 55.1 t -83.05 140.77 15.82 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 C-N-CA 125.912 1.685 . . . . 10.0 110.977 -173.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1923 ' ' SER . . . . . . . . . . . . . 33.1 m -126.24 152.65 45.81 Favored 'General case' 0 C--O 1.225 -0.197 0 C-N-CA 125.825 1.65 . . . . 10.0 111.599 172.514 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1924 ' ' TYR . . . . . . . . . . . . . 26.5 p90 -151.69 169.56 21.87 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 126.133 1.773 . . . . 10.0 111.42 171.042 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1925 ' ' LEU . . . . . . . . . . . . . 1.5 tm? -143.82 95.79 5.69 Favored Pre-proline 0 N--CA 1.474 0.769 0 C-N-CA 124.285 1.034 . . . . 10.0 111.59 -176.461 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1926 ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -80.64 149.85 18.7 Favored 'Trans proline' 0 CA--C 1.544 0.991 0 C-N-CA 122.932 2.421 . . . . 10.0 110.814 174.444 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1927 ' ' VAL . . . . . . . . . . . . . 34.4 m -118.48 -6.07 11.36 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 N-CA-C 114.96 1.467 . . . . 10.0 114.96 -175.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1928 ' ' LEU . . . . . . . . . . . . . 4.5 tt -143.66 128.16 9.47 Favored Pre-proline 0 CA--C 1.555 1.155 0 C-N-CA 125.268 1.427 . . . . 10.0 110.866 173.264 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1929 ' ' PRO . . . . . . . . . . . . . 89.2 Cg_exo -50.51 146.88 18.38 Favored 'Trans proline' 0 CA--C 1.55 1.287 0 C-N-CA 123.599 2.866 . . . . 10.0 115.764 -179.53 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1930 ' ' GLY . . . . . . . . . . . . . . . 172.0 -179.9 43.36 Favored Glycine 0 CA--C 1.528 0.906 0 CA-C-O 122.743 1.191 . . . . 10.0 115.143 -170.174 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1931 ' ' ASP . . . . . . . . . . . . . 16.2 p-10 -107.31 84.86 2.03 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 127.211 2.204 . . . . 10.0 110.659 -178.071 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1932 ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -85.78 100.31 11.95 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.409 1.083 . . . . 10.0 113.004 -169.324 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1933 ' ' SER . . . . . . . . . . . . . 20.6 t -66.48 129.77 40.94 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 120.909 -1.119 . . . . 10.0 110.539 176.077 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1934 ' ' ILE . . . . . . . . . . . . . 8.2 mm -101.95 129.95 52.45 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 125.022 1.329 . . . . 10.0 109.854 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1935 ' ' LEU . . . . . . . . . . . . . 3.0 mm? -118.98 91.4 3.55 Favored 'General case' 0 C--O 1.237 0.442 0 C-N-CA 126.21 1.804 . . . . 10.0 110.692 177.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1936 ' ' VAL . . . . . . . . . . . . . 47.4 t -91.83 109.94 21.99 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 C-N-CA 124.103 0.961 . . . . 10.0 109.251 175.134 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1937 ' ' LYS . . . . . . . . . . . . . 96.7 mttt -97.04 142.5 28.91 Favored 'General case' 0 N--CA 1.482 1.152 0 CA-C-N 119.307 0.958 . . . . 10.0 111.042 167.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1938 ' ' TYR . . . . . . . . . . . . . 17.9 t80 -138.14 107.79 6.23 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 125.218 1.407 . . . . 10.0 110.525 167.416 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1939 ' ' ASN . . . . . . . . . . . . . 1.5 t30 59.62 74.71 0.43 Allowed 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 126.641 1.976 . . . . 10.0 112.308 -178.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1940 ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 70.01 -3.95 1.63 Allowed 'General case' 0 N--CA 1.484 1.235 0 N-CA-C 117.722 2.49 . . . . 10.0 117.722 169.248 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1941 ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -138.41 160.78 38.66 Favored 'General case' 0 C--O 1.243 0.733 0 C-N-CA 125.459 1.504 . . . . 10.0 110.776 175.468 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1942 ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -68.61 152.89 44.74 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-O 121.968 0.889 . . . . 10.0 111.737 170.422 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1943 ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -67.08 163.9 40.69 Favored Pre-proline 0 CA--C 1.547 0.841 0 C-N-CA 126.247 1.819 . . . . 10.0 112.789 -176.534 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1944 ' ' PRO . . . . . . . . . . . . . 41.0 Cg_exo -60.93 -13.17 25.67 Favored 'Trans proline' 0 C--N 1.348 0.529 1 C-N-CA 125.794 4.33 . . . . 10.0 117.748 -168.517 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1945 ' ' GLY . . . . . . . . . . . . . . . -124.59 -6.22 6.75 Favored Glycine 0 CA--C 1.54 1.634 0 C-N-CA 126.466 1.984 . . . . 10.0 115.452 178.407 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1946 ' ' SER . . . . . . . . . . . . . 3.3 m -70.56 156.26 92.2 Favored Pre-proline 0 CA--C 1.547 0.844 0 CA-C-N 118.93 1.365 . . . . 10.0 111.71 174.309 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1947 ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -74.43 162.74 91.89 Favored 'Cis proline' 0 CA--C 1.545 1.031 0 CA-C-O 122.016 0.757 . . . . 10.0 112.54 -8.442 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1948 ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -119.77 168.09 11.43 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 125.879 1.672 . . . . 10.0 111.399 172.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1949 ' ' THR . . . . . . . . . . . . . 25.6 m -134.26 101.48 5.03 Favored 'General case' 0 N--CA 1.485 1.323 0 CA-C-N 119.817 1.19 . . . . 10.0 111.088 175.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1950 ' ' ALA . . . . . . . . . . . . . . . -81.3 104.6 11.87 Favored 'General case' 0 C--O 1.234 0.276 0 C-N-CA 124.974 1.31 . . . . 10.0 112.629 176.407 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1951 ' ' ARG . . . . . . . . . . . . . 58.2 ttp85 -78.26 89.97 4.33 Favored 'General case' 0 C--O 1.24 0.583 0 N-CA-C 113.307 0.854 . . . . 10.0 113.307 173.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1952 ' ' VAL . . . . . . . . . . . . . 44.6 t -59.01 114.79 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 C-N-CA 128.49 2.716 . . . . 10.0 111.833 169.115 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1953 ' ' THR . . . . . . . . . . . . . 4.2 t -96.69 167.9 10.84 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 125.143 1.377 . . . . 10.0 111.667 172.08 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1954 ' ' GLY . . . . . . . . . . . . . . . -69.91 175.66 34.44 Favored Glycine 0 CA--C 1.54 1.595 0 CA-C-O 123.995 1.886 . . . . 10.0 116.193 -176.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1955 ' ' ASP . . . . . . . . . . . . . 33.5 t70 -75.75 -18.26 59.61 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 125.406 1.483 . . . . 10.0 112.791 173.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1956 ' ' ASP . . . . . . . . . . . . . 33.7 t70 . . . . . 0 N--CA 1.488 1.436 0 C-N-CA 126.91 2.084 . . . . 10.0 113.924 -178.2 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.431 0 N-CA-C 110.7 -0.96 . . . . 10.0 110.7 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' -3' ' ' ALA . . . . . . . . . . . . . . . -60.47 -19.45 56.66 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 115.763 1.764 . . . . 10.0 115.763 -170.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 91.4 mtp -118.23 7.88 12.18 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.327 1.451 . . . . 10.0 112.937 176.13 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' -1' ' ' VAL . . . . . . . . . . . . . 98.8 t -105.38 -25.5 3.66 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 C-N-CA 125.766 1.626 . . . . 10.0 112.013 -173.509 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1863 ' ' VAL . . . . . . . . . . . . . 24.7 m -73.67 167.4 2.29 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 C-N-CA 125.431 1.492 . . . . 10.0 112.432 169.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1864 ' ' ASN . . . . . . . . . . . . . 42.8 t-20 -125.6 122.42 36.42 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 125.559 1.544 . . . . 10.0 111.14 -172.429 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1865 ' ' CYS . . . . . . . . . . . . . 25.1 p -85.78 1.2 50.59 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 126.436 1.895 . . . . 10.0 114.92 179.407 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1866 ' ' GLY . . . . . . . . . . . . . . . -68.35 16.3 0.52 Allowed Glycine 0 CA--C 1.535 1.323 0 C-N-CA 127.676 2.56 . . . . 10.0 118.209 -169.415 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1867 ' ' HIS . . . . . . . . . . . . . 9.1 m80 64.66 -12.94 0.11 Allowed 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 117.594 2.442 . . . . 10.0 117.594 172.492 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1868 ' ' VAL . . . . . . . . . . . . . 7.1 p -63.62 138.99 22.03 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 C-N-CA 125.681 1.592 . . . . 10.0 110.67 168.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1869 ' ' THR . . . . . . . . . . . . . 22.9 p -130.41 164.51 24.59 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 124.771 1.228 . . . . 10.0 113.976 -177.108 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1870 ' ' ALA . . . . . . . . . . . . . . . -138.46 126.8 23.04 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.698 1.599 . . . . 10.0 110.921 178.143 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1871 ' ' TYR . . . . . . . . . . . . . 55.4 p90 -147.61 164.83 32.25 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.644 1.178 . . . . 10.0 112.752 179.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1872 ' ' GLY . . . . . . . . . . . . . . . 132.91 173.04 13.17 Favored Glycine 0 N--CA 1.479 1.526 0 O-C-N 121.468 -0.77 . . . . 10.0 113.433 176.222 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1873 ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -65.67 -33.75 43.73 Favored 'Trans proline' 0 CA--C 1.54 0.803 0 C-N-CA 123.468 2.779 . . . . 10.0 112.535 -177.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1874 ' ' GLY . . . . . . . . . . . . . . . -67.98 -0.85 16.09 Favored Glycine 0 N--CA 1.48 1.612 0 C-N-CA 124.746 1.165 . . . . 10.0 115.972 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1875 ' ' LEU . . . . . . . . . . . . . 34.0 mt -103.16 -2.58 27.09 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.229 1.412 . . . . 10.0 114.059 171.44 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1876 ' ' THR . . . . . . . . . . . . . 13.2 t -135.02 -30.78 1.04 Allowed 'General case' 0 N--CA 1.482 1.142 0 N-CA-C 114.76 1.393 . . . . 10.0 114.76 -175.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1877 ' ' HIS . . . . . . . . . . . . . 13.0 t60 -134.9 -173.95 3.46 Favored 'General case' 0 CA--C 1.555 1.171 0 C-N-CA 125.569 1.548 . . . . 10.0 111.66 176.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1878 ' ' GLY . . . . . . . . . . . . . . . -172.83 173.93 45.65 Favored Glycine 0 CA--C 1.54 1.617 0 CA-C-N 118.984 0.811 . . . . 10.0 113.72 171.587 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1879 ' ' VAL . . . . . . . . . . . . . 33.5 t -133.89 109.69 13.24 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 C-N-CA 125.845 1.658 . . . . 10.0 109.909 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1880 ' ' VAL . . . . . . . . . . . . . 1.1 t -66.03 141.06 18.55 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 CA-C-O 122.431 1.11 . . . . 10.0 113.664 177.559 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1881 ' ' ASN . . . . . . . . . . . . . 34.4 m-20 70.41 0.32 3.17 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 127.687 2.395 . . . . 10.0 115.092 -175.279 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1882 ' ' LYS . . . . . . . . . . . . . 44.0 tptt -124.01 140.35 34.5 Favored Pre-proline 0 N--CA 1.485 1.284 0 C-N-CA 124.39 1.076 . . . . 10.0 110.814 173.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1883 ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -58.35 140.5 94.68 Favored 'Trans proline' 0 C--O 1.241 0.644 0 C-N-CA 122.851 2.367 . . . . 10.0 112.132 -179.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1884 ' ' ALA . . . . . . . . . . . . . . . -124.31 157.32 35.23 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 125.671 1.588 . . . . 10.0 111.249 174.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1885 ' ' THR . . . . . . . . . . . . . 29.1 p -146.08 159.54 43.14 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 113.648 0.981 . . . . 10.0 113.648 -171.072 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1886 ' ' PHE . . . . . . . . . . . . . 45.5 p90 -148.54 167.5 25.23 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 125.798 1.639 . . . . 10.0 111.984 168.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1887 ' ' THR . . . . . . . . . . . . . 64.4 m -118.1 113.23 21.29 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 124.608 1.163 . . . . 10.0 110.458 -170.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1888 ' ' VAL . . . . . . . . . . . . . 2.5 m -96.57 148.41 5.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.327 -0.851 . . . . 10.0 109.191 166.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1889 ' ' ASN . . . . . . . . . . . . . 32.5 t30 -136.93 95.69 3.16 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 127.197 2.199 . . . . 10.0 111.859 -164.035 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1890 ' ' THR . . . . . . . . . . . . . 25.4 p -93.58 23.88 4.37 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 129.316 3.046 . . . . 10.0 117.493 -167.071 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1891 ' ' LYS . . . . . . . . . . . . . 28.4 mtpp -46.83 -37.38 8.62 Favored 'General case' 0 N--CA 1.486 1.374 0 N-CA-C 117.088 2.255 . . . . 10.0 117.088 -168.658 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -122.69 14.45 10.13 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 125.737 1.615 . . . . 10.0 113.407 -179.671 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1893 ' ' ALA . . . . . . . . . . . . . . . -60.58 -28.54 68.57 Favored 'General case' 0 CA--C 1.551 0.99 0 N-CA-C 115.842 1.793 . . . . 10.0 115.842 -171.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . 77.01 -55.1 3.52 Favored Glycine 0 CA--C 1.533 1.166 0 C-N-CA 126.484 1.993 . . . . 10.0 115.698 171.206 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1895 ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -134.31 139.24 45.55 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 128.589 2.755 . . . . 10.0 110.312 -174.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1896 ' ' GLY . . . . . . . . . . . . . . . -80.65 -159.71 21.65 Favored Glycine 0 CA--C 1.542 1.72 0 C-N-CA 125.268 1.413 . . . . 10.0 115.848 -175.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1897 ' ' GLY . . . . . . . . . . . . . . . 91.2 16.73 53.0 Favored Glycine 0 CA--C 1.539 1.559 0 N-CA-C 115.293 0.877 . . . . 10.0 115.293 176.216 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1898 ' ' LEU . . . . . 0.446 ' HA ' ' H ' ' A' 1939 ' ' ASN . 0.0 OUTLIER -55.77 161.29 2.23 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.504 1.122 . . . . 10.0 113.378 169.843 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A 1899 ' ' SER . . . . . . . . . . . . . 8.7 t -133.94 153.51 51.72 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.138 0.975 . . . . 10.0 112.315 -177.519 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1900 ' ' LEU . . . . . . . . . . . . . 7.6 mt -137.91 127.24 24.67 Favored 'General case' 0 C--O 1.241 0.626 0 C-N-CA 128.079 2.551 . . . . 10.0 110.514 -174.384 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1901 ' ' ALA . . . . . . . . . . . . . . . -143.49 162.47 35.74 Favored 'General case' 0 C--O 1.24 0.604 0 C-N-CA 124.526 1.13 . . . . 10.0 111.139 168.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1902 ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -132.83 129.33 58.01 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.889 0 C-N-CA 126.029 1.732 . . . . 10.0 108.349 179.191 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1903 ' ' GLU . . . . . . . . . . . . . 44.7 mm-40 -108.33 171.94 7.12 Favored 'General case' 0 C--N 1.319 -0.757 0 C-N-CA 128.049 2.54 . . . . 10.0 110.185 169.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1904 ' ' GLY . . . . . . . . . . . . . . . 144.27 -165.11 27.51 Favored Glycine 0 CA--C 1.542 1.738 0 C-N-CA 125.994 1.759 . . . . 10.0 112.624 -174.173 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1905 ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -70.24 -19.2 34.13 Favored 'Trans proline' 0 C--N 1.354 0.832 0 C-N-CA 122.419 2.08 . . . . 10.0 114.091 171.646 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1906 ' ' SER . . . . . . . . . . . . . 10.1 t -151.88 -176.04 5.48 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 128.181 2.592 . . . . 10.0 110.41 -167.401 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1907 ' ' LYS . . . . . . . . . . . . . 22.8 tptt -121.45 169.27 10.81 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 125.808 1.643 . . . . 10.0 112.651 -171.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1908 ' ' ALA . . . . . . . . . . . . . . . -146.09 166.15 26.99 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 125.68 1.592 . . . . 10.0 112.32 174.394 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1909 ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -64.61 158.14 25.17 Favored 'General case' 0 CA--C 1.557 1.216 0 C-N-CA 126.172 1.789 . . . . 10.0 113.246 174.511 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1910 ' ' ILE . . . . . . . . . . . . . 23.8 mm -129.26 104.51 11.11 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 C-N-CA 126.249 1.819 . . . . 10.0 110.23 177.469 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1911 ' ' SER . . . . . . . . . . . . . 49.4 m -135.91 89.11 2.45 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.486 1.115 . . . . 10.0 112.301 178.533 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1912 ' ' CYS . . . . . . . . . . . . . 28.6 p -79.2 156.21 28.28 Favored 'General case' 0 CA--C 1.546 0.811 0 O-C-N 121.877 -0.514 . . . . 10.0 110.524 168.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1913 ' ' THR . . . . . . . . . . . . . 13.1 m -141.31 100.34 3.77 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.46 1.104 . . . . 10.0 109.984 -179.077 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1914 ' ' ASP . . . . . . . . . . . . . 19.4 t70 -63.07 121.78 14.45 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.61 1.164 . . . . 10.0 111.829 169.223 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1915 ' ' ASN . . . . . . . . . . . . . 44.7 m-80 -128.82 163.35 25.4 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 124.42 1.088 . . . . 10.0 113.311 -171.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1916 ' ' GLN . . . . . . . . . . . . . 11.6 tp-100 -62.7 -23.83 67.34 Favored 'General case' 0 CA--C 1.556 1.173 0 C-N-CA 128.096 2.558 . . . . 10.0 113.245 -176.281 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1917 ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -86.95 -0.8 57.18 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 126.29 1.836 . . . . 10.0 113.568 -175.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1918 ' ' GLY . . . . . . . . . . . . . . . 87.49 39.2 7.31 Favored Glycine 0 CA--C 1.534 1.248 0 C-N-CA 125.245 1.403 . . . . 10.0 113.262 -178.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1919 ' ' THR . . . . . . . . . . . . . 37.2 p -129.92 159.52 36.39 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 126.32 1.848 . . . . 10.0 112.234 -177.273 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1920 ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -124.07 8.94 8.64 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 125.744 1.618 . . . . 10.0 114.2 178.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1921 ' ' SER . . . . . . . . . . . . . 73.9 m 13.58 100.07 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 130.805 3.642 . . . . 10.0 115.783 169.174 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1922 ' ' VAL . . . . . . . . . . . . . 85.1 t -100.52 120.29 49.8 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 124.765 1.226 . . . . 10.0 111.261 -175.004 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1923 ' ' SER . . . . . . . . . . . . . 51.8 m -103.45 145.9 29.31 Favored 'General case' 0 C--O 1.241 0.639 0 C-N-CA 127.191 2.197 . . . . 10.0 111.036 170.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1924 ' ' TYR . . . . . . . . . . . . . 13.8 p90 -146.75 173.36 12.45 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 126.254 1.822 . . . . 10.0 110.045 175.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1925 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -150.77 91.29 4.07 Favored Pre-proline 0 CA--C 1.544 0.724 0 O-C-N 120.39 -1.444 . . . . 10.0 110.319 -174.651 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1926 ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -76.08 154.49 37.55 Favored 'Trans proline' 0 CA--C 1.548 1.222 0 C-N-CA 123.344 2.696 . . . . 10.0 112.547 -176.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1927 ' ' VAL . . . . . . . . . . . . . 22.3 m -126.45 -13.63 4.11 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.196 0 N-CA-C 116.298 1.962 . . . . 10.0 116.298 -169.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1928 ' ' LEU . . . . . . . . . . . . . 5.8 tt -142.93 121.37 7.31 Favored Pre-proline 0 N--CA 1.475 0.789 0 C-N-CA 124.534 1.133 . . . . 10.0 110.465 175.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1929 ' ' PRO . . . . . . . . . . . . . 78.4 Cg_exo -55.95 141.47 86.08 Favored 'Trans proline' 0 CA--C 1.544 0.987 0 C-N-CA 124.067 3.178 . . . . 10.0 113.139 -170.641 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1930 ' ' GLY . . . . . . . . . . . . . . . 174.92 177.45 44.03 Favored Glycine 0 CA--C 1.532 1.103 0 N-CA-C 116.313 1.285 . . . . 10.0 116.313 -172.001 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1931 ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -90.35 82.74 5.92 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 126.176 1.79 . . . . 10.0 111.005 170.314 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1932 ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -73.84 148.44 42.39 Favored 'General case' 0 CA--C 1.548 0.879 0 O-C-N 120.701 -1.249 . . . . 10.0 110.319 178.537 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1933 ' ' SER . . . . . . . . . . . . . 59.5 m -124.82 108.25 11.75 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.376 1.47 . . . . 10.0 109.809 -179.672 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1934 ' ' ILE . . . . . . . . . . . . . 3.7 mm -76.85 133.7 30.35 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.332 0 N-CA-C 108.75 -0.833 . . . . 10.0 108.75 176.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1935 ' ' LEU . . . . . . . . . . . . . 4.3 mm? -112.6 110.84 21.24 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 127.917 2.487 . . . . 10.0 108.569 172.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1936 ' ' VAL . . . . . . . . . . . . . 73.7 t -118.73 106.91 20.41 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 C-N-CA 124.977 1.311 . . . . 10.0 110.063 173.285 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1937 ' ' LYS . . . . . . . . . . . . . 60.2 mttm -93.95 116.77 29.25 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.944 1.298 . . . . 10.0 108.256 168.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1938 ' ' TYR . . . . . . . . . . . . . 2.3 t80 -83.71 101.82 11.82 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 118.979 -1.088 . . . . 10.0 109.181 170.111 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1939 ' ' ASN . . . . . 0.446 ' H ' ' HA ' ' A' 1898 ' ' LEU . 17.6 t-20 61.4 -43.58 0.13 Allowed 'General case' 0 CA--C 1.548 0.875 1 C-N-CA 131.965 4.106 . . . . 10.0 115.265 -170.901 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A 1940 ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -150.16 -31.05 0.2 Allowed 'General case' 0 CA--C 1.55 0.974 0 O-C-N 120.624 -1.297 . . . . 10.0 114.224 -179.413 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1941 ' ' GLN . . . . . . . . . . . . . 60.5 mm-40 -118.03 145.53 44.71 Favored 'General case' 0 C--N 1.339 0.134 0 C-N-CA 124.45 1.1 . . . . 10.0 110.176 -170.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1942 ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -74.39 145.03 44.08 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-O 122.106 0.955 . . . . 10.0 113.296 -170.639 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1943 ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.02 160.86 52.83 Favored Pre-proline 0 C--N 1.316 -0.887 0 C-N-CA 124.398 1.079 . . . . 10.0 113.093 -174.003 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1944 ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -58.84 106.49 0.29 Allowed 'Trans proline' 0 CA--C 1.541 0.868 0 C-N-CA 124.891 3.727 . . . . 10.0 110.479 178.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1945 ' ' GLY . . . . . . . . . . . . . . . 96.42 -4.44 64.36 Favored Glycine 0 N--CA 1.473 1.132 0 C-N-CA 124.931 1.253 . . . . 10.0 115.068 179.443 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1946 ' ' SER . . . . . . . . . . . . . 3.1 m -64.4 149.29 95.13 Favored Pre-proline 0 CA--C 1.558 1.261 0 CA-C-N 119.867 1.833 . . . . 10.0 112.214 168.491 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1947 ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -75.27 162.9 91.77 Favored 'Cis proline' 0 CA--C 1.542 0.897 0 CA-C-N 119.667 0.917 . . . . 10.0 113.115 -5.552 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1948 ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -117.54 105.92 12.59 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.665 1.586 . . . . 10.0 112.287 -171.013 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1949 ' ' THR . . . . . . . . . . . . . 21.0 m -71.75 86.26 0.94 Allowed 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.597 1.559 . . . . 10.0 111.899 178.344 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1950 ' ' ALA . . . . . . . . . . . . . . . -84.19 99.8 10.76 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 126.92 2.088 . . . . 10.0 111.496 175.105 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1951 ' ' ARG . . . . . . . . . . . . . 48.0 ttm-85 -86.28 82.86 7.86 Favored 'General case' 0 N--CA 1.482 1.164 0 O-C-N 120.992 -1.068 . . . . 10.0 112.53 -176.494 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1952 ' ' VAL . . . . . . . . . . . . . 6.3 t -55.17 129.15 16.2 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 C-N-CA 128.629 2.771 . . . . 10.0 112.725 171.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1953 ' ' THR . . . . . . . . . . . . . 6.2 t -111.73 160.77 16.98 Favored 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 124.455 1.102 . . . . 10.0 111.62 175.17 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1954 ' ' GLY . . . . . . . . . . . . . . . -98.36 82.43 0.63 Allowed Glycine 0 N--CA 1.473 1.13 0 C-N-CA 126.286 1.898 . . . . 10.0 112.311 -179.04 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1955 ' ' ASP . . . . . . . . . . . . . 30.0 t70 -63.63 -25.66 68.32 Favored 'General case' 0 CA--C 1.553 1.059 0 N-CA-C 115.05 1.5 . . . . 10.0 115.05 -179.542 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1956 ' ' ASP . . . . . . . . . . . . . 30.7 t70 . . . . . 0 C--O 1.252 1.224 0 C-N-CA 127.525 2.33 . . . . 10.0 112.462 179.086 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.691 0 N-CA-C 111.192 -0.763 . . . . 10.0 111.192 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' -3' ' ' ALA . . . . . . . . . . . . . . . -66.57 173.45 3.38 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 124.444 1.098 . . . . 10.0 113.082 173.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 25.2 ttt -133.63 146.23 50.73 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 126.29 1.836 . . . . 10.0 109.559 176.081 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -1' ' ' VAL . . . . . . . . . . . . . 34.1 m -64.18 -23.5 33.51 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.232 0 C-N-CA 124.918 1.287 . . . . 10.0 114.144 -174.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1863 ' ' VAL . . . . . . . . . . . . . 57.0 t -74.92 -29.27 22.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 C-N-CA 125.72 1.608 . . . . 10.0 110.965 173.384 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1864 ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -95.84 70.23 2.92 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.107 1.363 . . . . 10.0 111.388 -171.607 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1865 ' ' CYS . . . . . . . . . . . . . 74.8 m -65.64 168.16 8.01 Favored 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 124.808 1.243 . . . . 10.0 113.368 177.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1866 ' ' GLY . . . . . . . . . . . . . . . -89.78 171.54 37.82 Favored Glycine 0 CA--C 1.539 1.562 0 O-C-N 120.965 -1.084 . . . . 10.0 115.739 -178.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1867 ' ' HIS . . . . . . . . . . . . . 8.9 p-80 -66.52 170.33 6.35 Favored 'General case' 0 CA--C 1.558 1.287 0 C-N-CA 126.502 1.921 . . . . 10.0 113.442 173.41 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1868 ' ' VAL . . . . . . . . . . . . . 9.1 p -54.99 115.16 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 C-N-CA 125.608 1.563 . . . . 10.0 110.837 177.556 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1869 ' ' THR . . . . . . . . . . . . . 3.6 m -156.13 151.25 26.47 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 128.974 2.91 . . . . 10.0 106.854 179.191 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1870 ' ' ALA . . . . . . . . . . . . . . . -81.05 135.19 35.79 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 119.478 1.035 . . . . 10.0 111.696 168.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1871 ' ' TYR . . . . . . . . . . . . . 47.9 p90 -147.26 155.18 41.83 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 125.438 1.495 . . . . 10.0 112.246 175.291 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1872 ' ' GLY . . . . . . . . . . . . . . . 135.85 170.26 12.01 Favored Glycine 0 C--N 1.344 1.003 0 C-N-CA 125.535 1.541 . . . . 10.0 113.162 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1873 ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -69.4 -30.04 24.6 Favored 'Trans proline' 0 CA--C 1.545 1.031 0 C-N-CA 123.199 2.599 . . . . 10.0 113.761 -177.504 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1874 ' ' GLY . . . . . . . . . . . . . . . -66.94 -4.66 28.6 Favored Glycine 0 CA--C 1.539 1.575 0 N-CA-C 115.59 0.996 . . . . 10.0 115.59 177.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1875 ' ' LEU . . . . . . . . . . . . . 26.3 mt -93.01 -25.1 18.11 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 118.999 1.399 . . . . 10.0 113.633 171.524 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1876 ' ' THR . . . . . . . . . . . . . 69.5 p -96.82 -38.03 10.02 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 123.929 0.892 . . . . 10.0 111.847 -177.052 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1877 ' ' HIS . . . . . . . . . . . . . 37.1 p-80 -143.96 -179.13 6.29 Favored 'General case' 0 C--O 1.235 0.342 0 C-N-CA 126.017 1.727 . . . . 10.0 112.176 -179.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1878 ' ' GLY . . . . . . . . . . . . . . . -153.55 172.2 32.36 Favored Glycine 0 N--CA 1.47 0.946 0 C-N-CA 125.326 1.441 . . . . 10.0 113.488 177.084 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1879 ' ' VAL . . . . . . . . . . . . . 12.4 p -139.94 143.23 30.51 Favored 'Isoleucine or valine' 0 C--O 1.244 0.778 0 C-N-CA 125.763 1.625 . . . . 10.0 109.958 170.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1880 ' ' VAL . . . . . . . . . . . . . 61.8 t -94.34 142.37 13.52 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 C-N-CA 125.272 1.429 . . . . 10.0 112.811 -169.239 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1881 ' ' ASN . . . . . . . . . . . . . 81.3 m-20 58.52 20.68 7.78 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 127.32 2.248 . . . . 10.0 113.618 -174.3 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1882 ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -142.36 142.03 22.67 Favored Pre-proline 0 CA--C 1.543 0.696 0 C-N-CA 126.148 1.779 . . . . 10.0 110.07 171.711 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1883 ' ' PRO . . . . . . . . . . . . . 66.4 Cg_exo -56.14 146.26 71.67 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 124.233 3.288 . . . . 10.0 115.275 -171.384 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1884 ' ' ALA . . . . . . . . . . . . . . . -128.57 139.07 52.48 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 124.723 1.209 . . . . 10.0 109.811 174.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1885 ' ' THR . . . . . . . . . . . . . 23.4 p -145.74 164.3 32.27 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.882 -1.136 . . . . 10.0 112.851 -173.398 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1886 ' ' PHE . . . . . . . . . . . . . 54.5 p90 -154.37 173.78 15.74 Favored 'General case' 0 C--O 1.246 0.874 0 C-N-CA 126.085 1.754 . . . . 10.0 110.916 171.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1887 ' ' THR . . . . . . . . . . . . . 29.0 m -118.12 141.8 48.1 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 127.266 2.226 . . . . 10.0 110.203 -172.713 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1888 ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -147.11 71.32 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 128.298 2.639 . . . . 10.0 107.644 -173.288 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1889 ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -67.65 77.23 0.19 Allowed 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 127.575 2.35 . . . . 10.0 113.803 -171.275 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1890 ' ' THR . . . . . . . . . . . . . 3.8 p -74.97 11.42 1.1 Allowed 'General case' 0 N--CA 1.475 0.793 1 C-N-CA 131.855 4.062 . . . . 10.0 116.332 -178.16 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1891 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.73 -28.31 0.23 Allowed 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 117.509 2.411 . . . . 10.0 117.509 -174.488 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 21.9 t70 -108.79 -6.41 15.87 Favored 'General case' 0 CA--C 1.556 1.205 0 C-N-CA 126.991 2.116 . . . . 10.0 115.226 -179.331 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1893 ' ' ALA . . . . . . . . . . . . . . . -66.31 -45.47 80.25 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.676 1.19 . . . . 10.0 112.083 -174.098 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . 64.85 -77.36 0.07 OUTLIER Glycine 0 CA--C 1.541 1.677 0 C-N-CA 125.438 1.494 . . . . 10.0 114.409 179.333 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1895 ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -132.4 6.85 4.16 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 127.096 2.158 . . . . 10.0 113.766 -174.537 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1896 ' ' GLY . . . . . . . . . . . . . . . -75.09 -32.16 56.68 Favored Glycine 0 N--CA 1.477 1.432 0 C-N-CA 125.7 1.619 . . . . 10.0 114.688 -175.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1897 ' ' GLY . . . . . . . . . . . . . . . 91.87 119.71 2.49 Favored Glycine 0 CA--C 1.537 1.408 0 C-N-CA 125.716 1.626 . . . . 10.0 115.181 170.19 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1898 ' ' LEU . . . . . . . . . . . . . 5.1 tt -115.22 118.43 33.29 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.567 1.547 . . . . 10.0 107.998 169.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1899 ' ' SER . . . . . . . . . . . . . 49.8 m -131.1 45.57 2.79 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 114.649 1.352 . . . . 10.0 114.649 -167.557 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1900 ' ' LEU . . . . . . . . . . . . . 3.3 pp -60.25 162.95 5.42 Favored 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 115.724 1.749 . . . . 10.0 115.724 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1901 ' ' ALA . . . . . . . . . . . . . . . -143.55 172.28 13.0 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 126.246 1.818 . . . . 10.0 112.665 170.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1902 ' ' ILE . . . . . . . . . . . . . 2.0 mp -125.91 137.31 58.12 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 C-N-CA 126.185 1.794 . . . . 10.0 109.71 172.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1903 ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -121.86 171.72 8.7 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 127.928 2.491 . . . . 10.0 112.09 169.032 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1904 ' ' GLY . . . . . . . . . . . . . . . 165.7 -173.52 41.36 Favored Glycine 0 N--CA 1.492 2.422 0 C-N-CA 124.278 0.942 . . . . 10.0 112.687 -177.362 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1905 ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -68.63 -21.26 39.64 Favored 'Trans proline' 0 CA--C 1.542 0.889 0 C-N-CA 122.899 2.4 . . . . 10.0 111.557 173.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1906 ' ' SER . . . . . . . . . . . . . 19.0 t -144.46 -15.66 0.56 Allowed 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 126.423 1.889 . . . . 10.0 113.163 -168.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1907 ' ' LYS . . . . . . . . . . . . . 20.7 ptmt 42.91 -166.74 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 130.44 3.496 . . . . 10.0 115.613 178.495 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1908 ' ' ALA . . . . . . . . . . . . . . . -151.28 165.69 33.24 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.662 1.185 . . . . 10.0 113.084 -176.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1909 ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -84.53 137.4 33.35 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 125.514 1.526 . . . . 10.0 111.898 174.539 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1910 ' ' ILE . . . . . . . . . . . . . 42.0 mm -82.95 135.67 24.35 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 C-N-CA 125.651 1.581 . . . . 10.0 109.926 -178.363 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1911 ' ' SER . . . . . . . . . . . . . 9.7 t -147.4 91.18 1.94 Allowed 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.505 1.122 . . . . 10.0 112.415 170.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1912 ' ' CYS . . . . . . . . . . . . . 17.0 p -65.3 144.36 57.18 Favored 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 125.248 1.419 . . . . 10.0 112.636 173.281 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1913 ' ' THR . . . . . . . . . . . . . 11.1 m -133.04 102.18 5.51 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.646 1.178 . . . . 10.0 110.774 -178.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1914 ' ' ASP . . . . . . . . . . . . . 18.6 t70 -65.84 103.83 0.98 Allowed 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.675 1.19 . . . . 10.0 111.264 172.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1915 ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -102.62 156.27 17.73 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.392 1.477 . . . . 10.0 111.636 178.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1916 ' ' GLN . . . . . . . . . . . . . 4.7 pp0? -65.63 -17.9 64.93 Favored 'General case' 0 CA--C 1.552 1.025 0 N-CA-C 116.478 2.029 . . . . 10.0 116.478 -171.559 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1917 ' ' ASP . . . . . . . . . . . . . 17.9 t70 -81.41 -4.18 55.02 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.033 0.933 . . . . 10.0 112.927 173.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1918 ' ' GLY . . . . . . . . . . . . . . . 86.08 53.55 2.96 Favored Glycine 0 CA--C 1.535 1.343 0 C-N-CA 125.022 1.296 . . . . 10.0 112.947 179.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1919 ' ' THR . . . . . . . . . . . . . 3.5 t -131.54 146.8 52.4 Favored 'General case' 0 N--CA 1.476 0.873 0 O-C-N 121.851 -0.794 . . . . 10.0 112.058 171.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1920 ' ' CYS . . . . . . . . . . . . . 4.1 t -86.06 0.7 52.78 Favored 'General case' 0 CA--C 1.556 1.191 0 C-N-CA 126.731 2.012 . . . . 10.0 112.622 179.707 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1921 ' ' SER . . . . . . . . . . . . . 43.2 m -3.33 93.55 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 131.048 3.739 . . . . 10.0 117.331 -176.424 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1922 ' ' VAL . . . . . . . . . . . . . 44.4 t -77.33 133.26 31.08 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.634 0 CA-C-O 121.741 0.781 . . . . 10.0 111.715 178.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1923 ' ' SER . . . . . . . . . . . . . 50.2 m -120.27 128.93 53.77 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 127.401 2.28 . . . . 10.0 110.769 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1924 ' ' TYR . . . . . . . . . . . . . 18.9 p90 -139.04 177.51 7.84 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.438 1.495 . . . . 10.0 111.667 179.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1925 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -152.12 87.43 4.29 Favored Pre-proline 0 CA--C 1.557 1.246 0 O-C-N 121.393 -0.817 . . . . 10.0 109.607 -170.157 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1926 ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -68.59 128.4 17.07 Favored 'Trans proline' 0 C--N 1.352 0.713 0 C-N-CA 122.91 2.407 . . . . 10.0 111.02 -174.503 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1927 ' ' VAL . . . . . . . . . . . . . 34.8 m -87.9 -15.75 9.27 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.18 0 C-N-CA 126.315 1.846 . . . . 10.0 112.628 -177.213 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1928 ' ' LEU . . . . . . . . . . . . . 14.0 mt -140.91 163.12 44.68 Favored Pre-proline 0 CA--C 1.545 0.754 0 C-N-CA 125.184 1.394 . . . . 10.0 111.126 172.182 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1929 ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -74.51 167.6 26.75 Favored 'Trans proline' 0 C--N 1.353 0.794 0 C-N-CA 123.157 2.572 . . . . 10.0 112.665 173.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1930 ' ' GLY . . . . . . . . . . . . . . . 157.56 -178.14 34.03 Favored Glycine 0 C--N 1.338 0.646 0 CA-C-O 122.696 1.164 . . . . 10.0 115.217 177.372 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1931 ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -96.25 78.78 3.11 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.664 1.585 . . . . 10.0 109.632 173.016 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1932 ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -73.56 156.14 38.42 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.835 0.854 . . . . 10.0 109.707 -177.687 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1933 ' ' SER . . . . . . . . . . . . . 58.5 m -127.52 115.37 18.74 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.48 1.112 . . . . 10.0 110.593 -179.066 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1934 ' ' ILE . . . . . . . . . . . . . 3.5 mm -85.49 99.31 7.3 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.821 0 O-C-N 121.124 -0.985 . . . . 10.0 109.104 173.595 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1935 ' ' LEU . . . . . . . . . . . . . 3.0 mm? -74.5 75.83 1.95 Allowed 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 125.768 1.627 . . . . 10.0 110.287 175.707 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1936 ' ' VAL . . . . . . . . . . . . . 41.0 t -79.21 108.42 12.76 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 O-C-N 120.209 -1.557 . . . . 10.0 111.192 -178.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1937 ' ' LYS . . . . . . . . . . . . . 65.1 mttm -101.26 137.07 40.09 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 125.206 1.402 . . . . 10.0 112.359 170.339 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1938 ' ' TYR . . . . . . . . . . . . . 71.9 t80 -131.36 116.81 18.04 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 125.658 1.583 . . . . 10.0 108.945 166.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1939 ' ' ASN . . . . . . . . . . . . . 13.4 t-20 51.95 72.54 0.38 Allowed 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 127.6 2.36 . . . . 10.0 112.748 -168.291 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1940 ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 63.68 -19.86 0.06 Allowed 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 128.556 2.742 . . . . 10.0 118.3 175.518 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1941 ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -120.32 154.72 34.62 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 126.211 1.804 . . . . 10.0 110.174 -175.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1942 ' ' HIS . . . . . . . . . . . . . 93.5 m-70 -69.62 147.29 50.87 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 113.517 0.932 . . . . 10.0 113.517 -175.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1943 ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.2 163.47 31.1 Favored Pre-proline 0 N--CA 1.475 0.81 0 C-N-CA 126.788 2.035 . . . . 10.0 111.175 179.507 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1944 ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -56.71 107.8 0.3 Allowed 'Trans proline' 0 N--CA 1.451 -1.012 0 C-N-CA 125.105 3.87 . . . . 10.0 113.025 -176.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1945 ' ' GLY . . . . . . . . . . . . . . . 89.64 0.43 78.95 Favored Glycine 0 CA--C 1.543 1.79 0 N-CA-C 117.007 1.563 . . . . 10.0 117.007 179.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1946 ' ' SER . . . . . . . . . . . . . 1.9 m -72.46 162.76 72.3 Favored Pre-proline 0 CA--C 1.548 0.866 0 CA-C-N 119.253 1.527 . . . . 10.0 114.016 177.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1947 ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -72.48 163.8 87.35 Favored 'Cis proline' 0 C--N 1.357 0.996 0 N-CA-C 114.375 0.875 . . . . 10.0 114.375 -3.259 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1948 ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -97.21 114.36 26.07 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.522 1.129 . . . . 10.0 109.529 176.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1949 ' ' THR . . . . . . . . . . . . . 49.8 m -79.39 101.74 8.3 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 124.093 0.957 . . . . 10.0 111.269 175.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1950 ' ' ALA . . . . . . . . . . . . . . . -93.66 107.76 19.59 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 128.073 2.549 . . . . 10.0 111.833 -175.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1951 ' ' ARG . . . . . . . . . . . . . 18.7 ttt85 -78.49 85.25 4.58 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 113.746 1.017 . . . . 10.0 113.746 -179.611 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1952 ' ' VAL . . . . . . . . . . . . . 2.5 t -66.42 104.05 0.57 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.879 0 C-N-CA 128.042 2.537 . . . . 10.0 111.836 173.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1953 ' ' THR . . . . . . . . . . . . . 26.2 m -81.17 132.99 35.38 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 124.896 1.278 . . . . 10.0 111.553 177.103 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1954 ' ' GLY . . . . . . . . . . . . . . . -107.16 157.44 15.55 Favored Glycine 0 CA--C 1.535 1.34 0 C-N-CA 124.96 1.266 . . . . 10.0 116.148 -170.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1955 ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -83.49 -20.48 33.88 Favored 'General case' 0 CA--C 1.563 1.455 0 N-CA-C 114.831 1.419 . . . . 10.0 114.831 172.122 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1956 ' ' ASP . . . . . . . . . . . . . 37.3 t70 . . . . . 0 C--O 1.256 1.43 0 C-N-CA 126.378 1.871 . . . . 10.0 113.826 178.78 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.666 0 N-CA-C 112.048 -0.421 . . . . 10.0 112.048 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' -3' ' ' ALA . . . . . . . . . . . . . . . -72.63 -6.26 43.05 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 115.363 1.616 . . . . 10.0 115.363 -176.586 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 78.6 mtm -68.17 -14.25 62.84 Favored 'General case' 0 N--CA 1.48 1.06 0 N-CA-C 114.817 1.414 . . . . 10.0 114.817 -175.346 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' -1' ' ' VAL . . . . . . . . . . . . . 35.4 m -131.3 160.44 42.31 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 C-N-CA 125.071 1.348 . . . . 10.0 112.487 -178.4 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1863 ' ' VAL . . . . . . . . . . . . . 67.8 t -68.69 -53.56 26.4 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.259 0 C-N-CA 124.078 0.951 . . . . 10.0 109.094 169.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1864 ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -152.39 164.77 36.82 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 126.55 1.94 . . . . 10.0 110.208 170.144 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1865 ' ' CYS . . . . . . . . . . . . . 80.1 m -68.91 -16.36 63.73 Favored 'General case' 0 CA--C 1.551 1.004 0 N-CA-C 114.531 1.308 . . . . 10.0 114.531 174.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1866 ' ' GLY . . . . . . . . . . . . . . . -127.01 102.97 0.64 Allowed Glycine 0 CA--C 1.537 1.413 0 C-N-CA 126.647 2.07 . . . . 10.0 112.047 178.391 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1867 ' ' HIS . . . . . . . . . . . . . 4.6 t-80 -76.96 -17.6 58.78 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 125.684 1.594 . . . . 10.0 114.493 -178.05 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1868 ' ' VAL . . . . . . . . . . . . . 3.5 p -134.06 132.9 56.14 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 128.665 2.786 . . . . 10.0 108.169 176.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1869 ' ' THR . . . . . . . . . . . . . 77.9 p -148.44 172.51 14.33 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 125.213 1.405 . . . . 10.0 113.225 -166.073 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1870 ' ' ALA . . . . . . . . . . . . . . . -130.97 141.78 50.29 Favored 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 127.408 2.283 . . . . 10.0 110.671 173.103 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1871 ' ' TYR . . . . . . . . . . . . . 49.4 p90 -152.73 158.79 42.83 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.592 1.157 . . . . 10.0 113.161 176.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1872 ' ' GLY . . . . . . . . . . . . . . . 136.57 169.9 11.83 Favored Glycine 0 CA--C 1.536 1.388 0 C-N-CA 126.234 1.873 . . . . 10.0 114.158 171.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1873 ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -72.13 -26.38 18.11 Favored 'Trans proline' 0 C--N 1.352 0.754 0 C-N-CA 124.058 3.172 . . . . 10.0 113.564 -174.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1874 ' ' GLY . . . . . . . . . . . . . . . -66.79 -6.17 35.36 Favored Glycine 0 CA--C 1.534 1.259 0 CA-C-O 118.709 -1.051 . . . . 10.0 114.313 173.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1875 ' ' LEU . . . . . . . . . . . . . 41.0 mt -90.59 -9.62 46.41 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-N 119.059 1.429 . . . . 10.0 113.744 172.398 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1876 ' ' THR . . . . . . . . . . . . . 45.1 p -109.74 -31.54 7.41 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 114.26 1.207 . . . . 10.0 114.26 179.202 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1877 ' ' HIS . . . . . . . . . . . . . 41.7 p-80 -146.99 173.63 12.26 Favored 'General case' 0 N--CA 1.475 0.789 0 O-C-N 120.335 -1.478 . . . . 10.0 112.612 179.351 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1878 ' ' GLY . . . . . . . . . . . . . . . -151.79 170.73 31.25 Favored Glycine 0 CA--C 1.545 1.915 0 C-N-CA 124.541 1.067 . . . . 10.0 114.536 177.131 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1879 ' ' VAL . . . . . . . . . . . . . 25.8 t -134.04 107.65 10.21 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 C-N-CA 124.716 1.206 . . . . 10.0 110.717 179.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1880 ' ' VAL . . . . . . . . . . . . . 91.2 t -50.99 123.35 2.64 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.052 0 C-N-CA 124.533 1.133 . . . . 10.0 110.755 -178.273 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1881 ' ' ASN . . . . . . . . . . . . . 82.0 m-20 72.75 9.6 5.56 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 128.947 2.899 . . . . 10.0 115.77 -178.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1882 ' ' LYS . . . . . . . . . . . . . 10.1 tppt? -116.05 135.0 22.69 Favored Pre-proline 0 CA--C 1.552 1.048 0 C-N-CA 124.565 1.146 . . . . 10.0 110.346 170.346 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1883 ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -54.95 126.63 23.21 Favored 'Trans proline' 0 N--CA 1.463 -0.292 0 C-N-CA 123.922 3.082 . . . . 10.0 113.267 -177.542 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1884 ' ' ALA . . . . . . . . . . . . . . . -106.12 146.72 29.83 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.674 1.19 . . . . 10.0 110.951 174.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1885 ' ' THR . . . . . . . . . . . . . 34.0 p -145.76 159.12 43.63 Favored 'General case' 0 N--CA 1.48 1.065 0 N-CA-C 113.413 0.894 . . . . 10.0 113.413 -173.129 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1886 ' ' PHE . . . . . . . . . . . . . 52.7 p90 -155.68 175.4 13.97 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 125.795 1.638 . . . . 10.0 112.067 168.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1887 ' ' THR . . . . . . . . . . . . . 89.1 m -117.38 140.88 49.0 Favored 'General case' 0 N--CA 1.472 0.631 0 O-C-N 120.634 -1.291 . . . . 10.0 110.198 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1888 ' ' VAL . . . . . . . . . . . . . 2.6 m -118.64 156.26 20.59 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 C-N-CA 125.125 1.37 . . . . 10.0 108.585 166.34 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1889 ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -143.34 108.97 5.11 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 125.408 1.483 . . . . 10.0 110.244 -173.598 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1890 ' ' THR . . . . . . . . . . . . . 77.0 p -87.17 -13.81 42.95 Favored 'General case' 0 N--CA 1.483 1.191 0 N-CA-C 116.182 1.919 . . . . 10.0 116.182 -178.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1891 ' ' LYS . . . . . . . . . . . . . 90.0 mttt 46.87 -90.49 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 128.063 2.545 . . . . 10.0 113.306 -170.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 29.4 t70 -88.17 -68.12 0.78 Allowed 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.949 0.9 . . . . 10.0 111.892 173.147 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1893 ' ' ALA . . . . . . . . . . . . . . . 53.91 -32.12 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 131.637 3.975 . . . . 10.0 119.059 -175.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . 60.65 -124.95 37.15 Favored Glycine 0 CA--C 1.535 1.319 0 CA-C-N 120.797 1.635 . . . . 10.0 112.432 -174.029 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1895 ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -79.02 6.44 9.36 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 125.509 1.524 . . . . 10.0 114.017 171.389 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1896 ' ' GLY . . . . . . . . . . . . . . . -59.4 96.64 0.08 OUTLIER Glycine 0 CA--C 1.536 1.372 0 C-N-CA 127.909 2.671 . . . . 10.0 112.725 177.118 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1897 ' ' GLY . . . . . . . . . . . . . . . -80.91 84.5 1.42 Allowed Glycine 0 N--CA 1.47 0.94 0 C-N-CA 125.697 1.618 . . . . 10.0 112.743 -175.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1898 ' ' LEU . . . . . . . . . . . . . 2.6 tm? -62.68 114.19 3.45 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 126.043 1.737 . . . . 10.0 108.97 168.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1899 ' ' SER . . . . . . . . . . . . . 23.3 t -135.02 148.95 50.08 Favored 'General case' 0 C--O 1.221 -0.445 0 C-N-CA 126.295 1.838 . . . . 10.0 110.45 -179.141 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1900 ' ' LEU . . . . . . . . . . . . . 4.0 pp -150.96 166.41 30.73 Favored 'General case' 0 C--O 1.243 0.76 0 N-CA-C 114.708 1.373 . . . . 10.0 114.708 -178.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1901 ' ' ALA . . . . . . . . . . . . . . . -145.13 170.11 16.85 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.546 1.138 . . . . 10.0 111.264 169.276 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1902 ' ' ILE . . . . . . . . . . . . . 1.2 mp -115.53 119.98 63.4 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 C-N-CA 125.242 1.417 . . . . 10.0 108.734 172.503 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1903 ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -105.55 175.21 5.57 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 126.404 1.882 . . . . 10.0 110.575 171.111 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1904 ' ' GLY . . . . . . . . . . . . . . . 148.9 -156.27 26.75 Favored Glycine 0 N--CA 1.476 1.362 0 C-N-CA 124.932 1.253 . . . . 10.0 112.326 -173.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1905 ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -72.95 -15.99 26.0 Favored 'Trans proline' 0 C--N 1.352 0.759 0 CA-C-N 120.081 1.941 . . . . 10.0 112.49 167.443 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1906 ' ' SER . . . . . . . . . . . . . 12.0 t -151.16 167.18 28.56 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 128.669 2.788 . . . . 10.0 110.476 -168.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1907 ' ' LYS . . . . . . . . . . . . . 30.1 mtpp -131.67 173.84 10.73 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 126.686 1.994 . . . . 10.0 111.883 -176.052 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1908 ' ' ALA . . . . . . . . . . . . . . . -139.51 165.04 28.3 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.093 1.357 . . . . 10.0 112.881 -177.411 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1909 ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -70.29 132.02 45.06 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 124.926 1.29 . . . . 10.0 110.057 168.428 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1910 ' ' ILE . . . . . . . . . . . . . 45.0 mm -111.92 120.18 61.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 O-C-N 121.532 -0.73 . . . . 10.0 109.797 -174.408 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1911 ' ' SER . . . . . . . . . . . . . 69.7 m -127.51 149.96 49.9 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 125.938 1.695 . . . . 10.0 110.467 174.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1912 ' ' CYS . . . . . . . . . . . . . 31.8 p -141.42 158.32 44.02 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 126.308 1.843 . . . . 10.0 111.075 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1913 ' ' THR . . . . . . . . . . . . . 34.4 m -143.31 103.67 4.15 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.393 1.077 . . . . 10.0 110.248 -174.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1914 ' ' ASP . . . . . . . . . . . . . 23.0 t70 -73.46 99.83 3.09 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 125.832 1.653 . . . . 10.0 112.604 174.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1915 ' ' ASN . . . . . . . . . . . . . 44.0 m-20 -81.32 -178.16 6.8 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 126.213 1.805 . . . . 10.0 113.933 -178.25 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1916 ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -56.35 -38.19 71.05 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 126.505 1.922 . . . . 10.0 113.641 -179.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1917 ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -94.37 3.67 54.88 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.631 1.173 . . . . 10.0 113.498 -172.545 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1918 ' ' GLY . . . . . . . . . . . . . . . 86.47 2.7 84.84 Favored Glycine 0 CA--C 1.538 1.502 0 C-N-CA 124.596 1.093 . . . . 10.0 114.706 -175.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1919 ' ' THR . . . . . . . . . . . . . 15.5 p -66.57 141.89 57.69 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 120.942 -1.328 . . . . 10.0 109.988 167.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1920 ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -114.26 9.93 17.11 Favored 'General case' 0 CA--C 1.552 1.031 0 N-CA-C 114.575 1.324 . . . . 10.0 114.575 -170.479 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1921 ' ' SER . . . . . . . . . . . . . 67.0 m 17.94 95.56 0.0 OUTLIER 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 130.867 3.667 . . . . 10.0 116.851 172.006 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1922 ' ' VAL . . . . . . . . . . . . . 78.6 t -93.39 138.62 19.86 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 C-N-CA 124.496 1.118 . . . . 10.0 110.594 -175.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1923 ' ' SER . . . . . . . . . . . . . 70.1 m -131.49 135.52 47.16 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 127.157 2.183 . . . . 10.0 109.867 177.23 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1924 ' ' TYR . . . . . . . . . . . . . 17.1 p90 -145.29 176.69 9.36 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 126.495 1.918 . . . . 10.0 112.118 178.514 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1925 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -140.83 99.34 6.79 Favored Pre-proline 0 N--CA 1.477 0.915 0 C-N-CA 123.392 0.677 . . . . 10.0 110.54 -176.44 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1926 ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -66.15 145.14 77.86 Favored 'Trans proline' 0 C--N 1.354 0.844 0 C-N-CA 122.706 2.271 . . . . 10.0 111.722 172.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1927 ' ' VAL . . . . . . . . . . . . . 34.7 m -130.43 -2.27 2.45 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.094 0 C-N-CA 124.214 1.006 . . . . 10.0 113.683 -175.064 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1928 ' ' LEU . . . . . . . . . . . . . 3.2 tt -155.36 133.98 7.28 Favored Pre-proline 0 CA--C 1.552 1.044 0 C-N-CA 124.656 1.182 . . . . 10.0 110.491 178.364 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1929 ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -69.93 142.28 46.78 Favored 'Trans proline' 0 C--N 1.35 0.629 0 C-N-CA 121.936 1.757 . . . . 10.0 112.726 -173.299 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1930 ' ' GLY . . . . . . . . . . . . . . . 167.98 178.02 39.63 Favored Glycine 0 CA--C 1.535 1.337 0 N-CA-C 116.441 1.337 . . . . 10.0 116.441 -173.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1931 ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -81.24 85.01 6.44 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.613 1.965 . . . . 10.0 110.431 173.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1932 ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -72.06 98.39 2.08 Favored 'General case' 0 C--O 1.241 0.631 0 C-N-CA 124.516 1.126 . . . . 10.0 110.899 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1933 ' ' SER . . . . . . . . . . . . . 74.9 m -75.91 105.15 6.79 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.071 1.348 . . . . 10.0 111.47 176.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1934 ' ' ILE . . . . . . . . . . . . . 2.3 mm -76.3 105.97 5.72 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.692 0 C-N-CA 122.956 0.503 . . . . 10.0 109.78 173.059 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1935 ' ' LEU . . . . . . . . . . . . . 4.4 mm? -96.72 107.25 19.67 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.743 1.217 . . . . 10.0 109.907 179.108 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1936 ' ' VAL . . . . . . . . . . . . . 17.7 t -107.8 136.84 41.84 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.305 0 C-N-CA 123.294 0.637 . . . . 10.0 112.043 178.318 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1937 ' ' LYS . . . . . . . . . . . . . 97.3 mttt -126.59 149.61 49.35 Favored 'General case' 0 C--N 1.346 0.44 0 C-N-CA 126.826 2.05 . . . . 10.0 112.728 175.519 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1938 ' ' TYR . . . . . . . . . . . . . 69.1 t80 -139.69 108.2 5.87 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 126.815 2.046 . . . . 10.0 109.755 174.705 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1939 ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 52.25 72.25 0.41 Allowed 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 126.133 1.773 . . . . 10.0 113.759 -175.091 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1940 ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 63.01 3.3 1.21 Allowed 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 116.572 2.064 . . . . 10.0 116.572 171.124 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1941 ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -130.52 160.13 35.05 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 126.734 2.013 . . . . 10.0 111.814 170.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1942 ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -71.19 155.49 40.67 Favored 'General case' 0 CA--C 1.553 1.066 0 CA-C-O 122.137 0.97 . . . . 10.0 113.499 177.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1943 ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -71.63 164.72 55.63 Favored Pre-proline 0 CA--C 1.546 0.812 0 C-N-CA 125.094 1.357 . . . . 10.0 112.69 -176.075 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1944 ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -59.86 -7.92 6.87 Favored 'Trans proline' 0 CA--C 1.538 0.703 1 C-N-CA 126.0 4.467 . . . . 10.0 118.143 -170.4 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1945 ' ' GLY . . . . . . . . . . . . . . . -141.47 5.38 2.35 Favored Glycine 0 CA--C 1.537 1.436 0 C-N-CA 126.756 2.122 . . . . 10.0 115.085 -177.087 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1946 ' ' SER . . . . . . . . . . . . . 4.6 m -68.64 154.41 94.62 Favored Pre-proline 0 CA--C 1.564 1.514 0 CA-C-N 118.927 1.363 . . . . 10.0 113.42 -179.085 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1947 ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -74.17 162.08 93.09 Favored 'Cis proline' 0 CA--C 1.546 1.101 0 CA-C-N 118.676 0.563 . . . . 10.0 111.729 -15.509 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1948 ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -96.66 -16.99 20.67 Favored 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 114.534 1.309 . . . . 10.0 114.534 -179.133 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1949 ' ' THR . . . . . . . . . . . . . 13.4 m 39.09 83.17 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.592 0 C-N-CA 128.85 2.86 . . . . 10.0 115.843 171.236 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1950 ' ' ALA . . . . . . . . . . . . . . . -76.78 170.43 16.48 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 125.56 1.544 . . . . 10.0 111.843 170.114 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1951 ' ' ARG . . . . . . . . . . . . . 52.5 ttt85 -138.08 94.4 2.88 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 113.836 1.05 . . . . 10.0 113.836 171.498 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1952 ' ' VAL . . . . . . . . . . . . . 2.7 t -60.27 134.01 25.66 Favored 'Isoleucine or valine' 0 C--O 1.24 0.562 0 C-N-CA 128.223 2.609 . . . . 10.0 112.586 171.322 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1953 ' ' THR . . . . . . . . . . . . . 15.4 t -119.66 150.82 39.72 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 125.613 1.565 . . . . 10.0 111.523 175.618 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1954 ' ' GLY . . . . . . . . . . . . . . . -86.49 116.22 4.38 Favored Glycine 0 CA--C 1.538 1.491 0 C-N-CA 125.645 1.593 . . . . 10.0 115.595 -169.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1955 ' ' ASP . . . . . . . . . . . . . 35.5 t70 -74.08 -13.94 60.91 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 125.162 1.385 . . . . 10.0 114.224 173.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1956 ' ' ASP . . . . . . . . . . . . . 37.7 t70 . . . . . 0 C--O 1.253 1.26 0 C-N-CA 126.66 1.984 . . . . 10.0 113.611 177.027 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.697 0 N-CA-C 110.607 -0.997 . . . . 10.0 110.607 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' -3' ' ' ALA . . . . . . . . . . . . . . . -70.81 174.24 6.31 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 125.365 1.466 . . . . 10.0 114.014 179.557 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 61.0 mtt -130.38 168.63 16.64 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 126.651 1.98 . . . . 10.0 111.349 175.046 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' -1' ' ' VAL . . . . . . . . . . . . . 62.1 t -72.0 -42.94 68.23 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 C-N-CA 124.124 0.97 . . . . 10.0 110.819 176.626 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1863 ' ' VAL . . . . . . . . . . . . . 35.3 m -69.26 156.19 7.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 C-N-CA 123.728 0.811 . . . . 10.0 112.572 173.123 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1864 ' ' ASN . . . . . . . . . . . . . 10.4 p-10 -74.51 -21.54 59.5 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 114.231 1.196 . . . . 10.0 114.231 172.525 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1865 ' ' CYS . . . . . . . . . . . . . 63.9 m -73.3 168.65 18.73 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.348 1.459 . . . . 10.0 112.915 178.118 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1866 ' ' GLY . . . . . . . . . . . . . . . -119.82 12.54 10.83 Favored Glycine 0 CA--C 1.544 1.849 0 C-N-CA 126.566 2.031 . . . . 10.0 113.099 171.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1867 ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -87.16 -166.9 1.71 Allowed 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.563 1.545 . . . . 10.0 113.352 -169.832 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1868 ' ' VAL . . . . . . . . . . . . . 10.8 p -63.41 111.51 0.99 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 C-N-CA 126.17 1.788 . . . . 10.0 111.381 169.629 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1869 ' ' THR . . . . . . . . . . . . . 3.5 m -148.42 165.74 30.22 Favored 'General case' 0 C--N 1.319 -0.747 0 C-N-CA 128.019 2.528 . . . . 10.0 108.099 -175.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1870 ' ' ALA . . . . . . . . . . . . . . . -114.93 142.34 46.73 Favored 'General case' 0 CA--C 1.541 0.596 0 CA-C-N 118.905 0.775 . . . . 10.0 111.347 173.202 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1871 ' ' TYR . . . . . . . . . . . . . 33.1 p90 -156.84 168.7 26.66 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.554 1.542 . . . . 10.0 111.037 -178.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1872 ' ' GLY . . . . . . . . . . . . . . . 126.49 179.26 15.68 Favored Glycine 0 N--CA 1.481 1.677 0 O-C-N 120.703 -1.248 . . . . 10.0 114.007 172.368 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1873 ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -54.46 -46.0 36.72 Favored 'Trans proline' 0 CA--C 1.539 0.761 0 C-N-CA 124.334 3.356 . . . . 10.0 113.096 -177.158 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1874 ' ' GLY . . . . . . . . . . . . . . . -60.83 -19.64 56.02 Favored Glycine 0 CA--C 1.539 1.586 0 C-N-CA 125.602 1.573 . . . . 10.0 115.246 -174.669 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1875 ' ' LEU . . . . . . . . . . . . . 13.4 mt -90.4 -21.62 21.86 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 119.968 1.884 . . . . 10.0 113.286 171.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1876 ' ' THR . . . . . . . . . . . . . 86.3 m -80.8 -48.3 12.66 Favored 'General case' 0 N--CA 1.482 1.155 0 O-C-N 121.546 -0.721 . . . . 10.0 110.663 174.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1877 ' ' HIS . . . . . . . . . . . . . 5.1 p80 -148.14 164.14 34.81 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 125.436 1.494 . . . . 10.0 111.048 178.314 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1878 ' ' GLY . . . . . . . . . . . . . . . -129.06 174.62 19.12 Favored Glycine 0 CA--C 1.534 1.234 0 C-N-CA 126.414 1.959 . . . . 10.0 112.902 178.148 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1879 ' ' VAL . . . . . . . . . . . . . 8.0 p -136.31 137.89 47.6 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 124.945 1.298 . . . . 10.0 111.029 169.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1880 ' ' VAL . . . . . . . . . . . . . 54.1 t -84.47 141.03 15.22 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.315 0 C-N-CA 126.378 1.871 . . . . 10.0 112.382 -171.163 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1881 ' ' ASN . . . . . . . . . . . . . 70.6 m-80 53.38 18.6 1.36 Allowed 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 126.588 1.955 . . . . 10.0 116.075 -177.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1882 ' ' LYS . . . . . . . . . . . . . 20.1 tptm -136.31 143.21 42.66 Favored Pre-proline 0 N--CA 1.485 1.276 0 C-N-CA 125.553 1.541 . . . . 10.0 109.75 170.49 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1883 ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -56.63 134.56 65.18 Favored 'Trans proline' 0 C--O 1.243 0.747 0 C-N-CA 123.932 3.088 . . . . 10.0 112.08 -177.033 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1884 ' ' ALA . . . . . . . . . . . . . . . -120.69 161.25 21.73 Favored 'General case' 0 C--O 1.243 0.738 0 C-N-CA 125.271 1.428 . . . . 10.0 109.854 174.676 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1885 ' ' THR . . . . . . . . . . . . . 29.5 p -148.23 153.34 38.6 Favored 'General case' 0 N--CA 1.485 1.322 0 N-CA-C 114.338 1.236 . . . . 10.0 114.338 -169.083 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1886 ' ' PHE . . . . . . . . . . . . . 45.5 p90 -148.21 168.35 22.71 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.189 0.996 . . . . 10.0 111.249 168.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1887 ' ' THR . . . . . . . . . . . . . 95.5 m -104.23 141.26 36.59 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 124.604 1.162 . . . . 10.0 111.44 -173.375 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1888 ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -126.57 148.12 31.36 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 C-N-CA 125.942 1.697 . . . . 10.0 107.335 169.054 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1889 ' ' ASN . . . . . . . . . . . . . 42.4 t30 -122.79 63.11 0.98 Allowed 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 113.741 -1.572 . . . . 10.0 113.256 -165.255 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1890 ' ' THR . . . . . . . . . . . . . 22.1 p -68.67 1.62 3.08 Favored 'General case' 0 N--CA 1.478 0.933 0 N-CA-C 115.054 1.502 . . . . 10.0 115.054 175.333 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1891 ' ' LYS . . . . . . . . . . . . . 74.8 mttt -50.05 -51.05 45.47 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 127.542 2.337 . . . . 10.0 112.489 176.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 32.8 t70 -78.14 -28.07 48.34 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.185 1.394 . . . . 10.0 114.099 179.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1893 ' ' ALA . . . . . . . . . . . . . . . -69.09 -31.84 70.85 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.214 1.406 . . . . 10.0 112.415 172.503 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . 90.81 -9.87 76.47 Favored Glycine 0 CA--C 1.542 1.776 0 C-N-CA 125.753 1.644 . . . . 10.0 114.724 173.554 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1895 ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -151.93 155.2 37.58 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 118.793 1.296 . . . . 10.0 110.873 176.503 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1896 ' ' GLY . . . . . . . . . . . . . . . -72.48 47.38 1.14 Allowed Glycine 0 CA--C 1.552 2.387 0 C-N-CA 126.232 1.872 . . . . 10.0 115.017 173.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1897 ' ' GLY . . . . . . . . . . . . . . . -91.22 4.65 80.91 Favored Glycine 0 CA--C 1.542 1.757 0 C-N-CA 126.693 2.092 . . . . 10.0 115.932 -175.06 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1898 ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.92 169.07 13.94 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 118.85 1.325 . . . . 10.0 113.124 179.071 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1899 ' ' SER . . . . . . . . . . . . . 74.5 m -141.58 148.37 39.18 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.642 0.777 . . . . 10.0 109.83 175.355 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1900 ' ' LEU . . . . . . . . . . . . . 4.0 pp -153.2 172.33 17.12 Favored 'General case' 0 C--O 1.237 0.405 0 O-C-N 120.793 -1.192 . . . . 10.0 114.212 170.167 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1901 ' ' ALA . . . . . . . . . . . . . . . -143.31 164.6 29.78 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 125.402 1.481 . . . . 10.0 111.274 168.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1902 ' ' ILE . . . . . . . . . . . . . 2.2 mp -121.11 116.8 50.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 124.907 1.283 . . . . 10.0 108.939 170.343 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1903 ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -100.09 175.45 5.74 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 126.963 2.105 . . . . 10.0 110.426 170.244 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1904 ' ' GLY . . . . . . . . . . . . . . . 155.85 -165.63 32.68 Favored Glycine 0 CA--C 1.535 1.329 0 C-N-CA 124.155 0.884 . . . . 10.0 113.639 -170.066 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1905 ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -73.63 -19.99 20.83 Favored 'Trans proline' 0 CA--C 1.556 1.588 0 C-N-CA 124.131 3.221 . . . . 10.0 110.614 170.396 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1906 ' ' SER . . . . . . . . . . . . . 9.0 t -151.57 -178.68 6.83 Favored 'General case' 0 C--O 1.239 0.536 0 C-N-CA 128.124 2.57 . . . . 10.0 110.544 -166.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1907 ' ' LYS . . . . . . . . . . . . . 68.6 mttm -103.77 167.86 9.51 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 126.568 1.947 . . . . 10.0 113.099 -174.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1908 ' ' ALA . . . . . . . . . . . . . . . -143.0 159.16 42.77 Favored 'General case' 0 CA--C 1.557 1.235 0 C-N-CA 125.017 1.327 . . . . 10.0 111.687 175.311 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1909 ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -87.8 83.7 7.11 Favored 'General case' 0 N--CA 1.48 1.033 0 O-C-N 120.852 -1.155 . . . . 10.0 111.718 176.487 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1910 ' ' ILE . . . . . . . . . . . . . 15.3 mt -69.11 133.1 32.42 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.334 0 O-C-N 121.145 -0.972 . . . . 10.0 110.779 -178.297 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1911 ' ' SER . . . . . . . . . . . . . 7.4 t -146.6 170.63 16.52 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.633 1.573 . . . . 10.0 112.138 168.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1912 ' ' CYS . . . . . . . . . . . . . 27.4 p -138.17 160.24 39.93 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 125.85 1.66 . . . . 10.0 113.135 177.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1913 ' ' THR . . . . . . . . . . . . . 30.9 m -146.92 113.6 6.04 Favored 'General case' 0 N--CA 1.47 0.534 0 O-C-N 121.85 -0.531 . . . . 10.0 110.408 -171.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1914 ' ' ASP . . . . . . . . . . . . . 32.7 t70 -69.85 132.58 46.25 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.212 1.405 . . . . 10.0 109.247 167.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1915 ' ' ASN . . . . . . . . . . . . . 71.5 m-80 -130.97 167.06 19.65 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 125.069 1.347 . . . . 10.0 112.513 -176.241 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1916 ' ' GLN . . . . . . . . . . . . . 43.4 tt0 -59.74 -30.34 68.76 Favored 'General case' 0 CA--C 1.557 1.243 0 C-N-CA 125.285 1.434 . . . . 10.0 113.399 174.209 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1917 ' ' ASP . . . . . . . . . . . . . 35.0 t70 -75.34 -14.82 60.51 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.846 1.258 . . . . 10.0 111.893 178.317 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1918 ' ' GLY . . . . . . . . . . . . . . . 95.32 2.03 62.22 Favored Glycine 0 CA--C 1.547 2.036 0 C-N-CA 125.834 1.683 . . . . 10.0 115.022 174.355 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1919 ' ' THR . . . . . . . . . . . . . 81.1 p -70.12 166.03 20.75 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 125.916 1.686 . . . . 10.0 112.6 174.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1920 ' ' CYS . . . . . . . . . . . . . 1.1 t -106.26 6.82 31.02 Favored 'General case' 0 CA--C 1.558 1.263 0 C-N-CA 124.999 1.32 . . . . 10.0 112.689 170.038 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1921 ' ' SER . . . . . . . . . . . . . 7.1 t 14.57 92.86 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.233 1 C-N-CA 132.726 4.41 . . . . 10.0 115.993 175.613 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1922 ' ' VAL . . . . . . . . . . . . . 41.0 t -88.84 136.2 23.96 Favored 'Isoleucine or valine' 0 C--O 1.243 0.759 0 CA-C-O 122.467 1.127 . . . . 10.0 111.097 -176.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1923 ' ' SER . . . . . . . . . . . . . 62.8 p -116.17 154.69 29.59 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 126.635 1.974 . . . . 10.0 111.418 172.189 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1924 ' ' TYR . . . . . . . . . . . . . 14.1 p90 -148.92 169.28 20.92 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 126.915 2.086 . . . . 10.0 110.53 176.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1925 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -151.2 82.7 5.75 Favored Pre-proline 0 CA--C 1.56 1.335 0 O-C-N 120.671 -1.268 . . . . 10.0 110.216 -171.695 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1926 ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -73.12 122.99 8.5 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 123.737 2.958 . . . . 10.0 111.203 -176.276 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1927 ' ' VAL . . . . . . . . . . . . . 27.1 m -78.38 -14.65 13.88 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.146 0 O-C-N 121.026 -1.047 . . . . 10.0 113.736 -177.546 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1928 ' ' LEU . . . . . . . . . . . . . 20.0 mt -145.58 160.65 43.95 Favored Pre-proline 0 CA--C 1.539 0.54 0 C-N-CA 125.485 1.514 . . . . 10.0 112.074 177.437 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1929 ' ' PRO . . . . . . . . . . . . . 27.5 Cg_exo -58.98 154.42 44.98 Favored 'Trans proline' 0 C--N 1.354 0.824 0 C-N-CA 123.224 2.616 . . . . 10.0 113.36 172.117 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1930 ' ' GLY . . . . . . . . . . . . . . . 165.43 178.09 38.27 Favored Glycine 0 CA--C 1.534 1.276 0 N-CA-C 117.074 1.59 . . . . 10.0 117.074 176.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1931 ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -99.61 93.12 5.68 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 124.858 1.263 . . . . 10.0 108.54 171.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1932 ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -93.3 106.09 18.09 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.48 1.112 . . . . 10.0 111.677 -170.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1933 ' ' SER . . . . . . . . . . . . . 75.7 m -73.66 106.72 5.54 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.299 1.04 . . . . 10.0 111.02 179.037 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1934 ' ' ILE . . . . . . . . . . . . . 3.2 mm -79.05 119.4 28.23 Favored 'Isoleucine or valine' 0 C--O 1.244 0.81 0 N-CA-C 107.986 -1.116 . . . . 10.0 107.986 169.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1935 ' ' LEU . . . . . . . . . . . . . 4.5 mm? -107.87 90.82 3.42 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 126.36 1.864 . . . . 10.0 108.529 -178.163 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1936 ' ' VAL . . . . . . . . . . . . . 15.2 t -93.64 139.45 18.25 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.331 0 C-N-CA 124.571 1.148 . . . . 10.0 110.18 -179.321 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1937 ' ' LYS . . . . . . . . . . . . . 99.0 mttt -131.0 153.34 49.34 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 127.583 2.353 . . . . 10.0 113.087 179.52 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1938 ' ' TYR . . . . . . . . . . . . . 7.1 t80 -143.32 120.89 11.75 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 124.321 1.048 . . . . 10.0 109.36 165.173 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1939 ' ' ASN . . . . . . . . . . . . . 6.8 t30 48.26 78.81 0.08 Allowed 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 127.713 2.405 . . . . 10.0 112.976 -172.547 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1940 ' ' GLU . . . . . . . . . . . . 0.306 10.1 pt-20 52.64 8.99 0.1 Allowed 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 129.438 3.095 . . . . 10.0 118.773 173.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1941 ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -132.82 159.37 40.0 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.115 1.366 . . . . 10.0 112.373 169.587 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1942 ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -69.66 155.69 40.12 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-O 121.914 0.864 . . . . 10.0 112.812 176.326 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1943 ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -75.45 165.54 52.75 Favored Pre-proline 0 CA--C 1.545 0.758 0 CA-C-N 114.739 -1.119 . . . . 10.0 112.801 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1944 ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -63.9 -26.13 67.08 Favored 'Trans proline' 0 CA--C 1.533 0.449 0 C-N-CA 125.193 3.929 . . . . 10.0 116.167 -174.605 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1945 ' ' GLY . . . . . . . . . . . . . . . -95.95 -15.99 40.27 Favored Glycine 0 CA--C 1.542 1.733 0 C-N-CA 125.671 1.605 . . . . 10.0 114.166 179.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1946 ' ' SER . . . . . . . . . . . . . 38.6 m -72.08 152.49 92.7 Favored Pre-proline 0 C--O 1.245 0.851 0 C-N-CA 126.053 1.741 . . . . 10.0 112.921 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1947 ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -73.19 157.28 99.22 Favored 'Cis proline' 0 C--N 1.356 0.959 0 CA-C-N 119.152 0.733 . . . . 10.0 112.668 -14.408 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1948 ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -101.72 -15.01 17.12 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 115.629 1.715 . . . . 10.0 115.629 -170.548 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1949 ' ' THR . . . . . . . . . . . . . 15.5 m 27.73 80.37 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.605 0 C-N-CA 128.895 2.878 . . . . 10.0 114.935 -177.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1950 ' ' ALA . . . . . . . . . . . . . . . -72.54 162.23 29.75 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.706 1.202 . . . . 10.0 112.79 179.236 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1951 ' ' ARG . . . . . . . . . . . . . 18.2 ttt-85 -127.64 85.63 2.38 Favored 'General case' 0 N--CA 1.481 1.089 0 CA-C-O 123.328 1.537 . . . . 10.0 113.532 -174.517 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1952 ' ' VAL . . . . . . . . . . . . . 2.9 t -70.19 109.6 2.85 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 C-N-CA 127.795 2.438 . . . . 10.0 112.209 179.375 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1953 ' ' THR . . . . . . . . . . . . . 93.9 m -78.94 133.39 36.91 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.518 1.527 . . . . 10.0 111.747 174.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1954 ' ' GLY . . . . . . . . . . . . . . . -78.16 76.52 1.78 Allowed Glycine 0 CA--C 1.528 0.88 0 C-N-CA 125.335 1.445 . . . . 10.0 112.282 174.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1955 ' ' ASP . . . . . . . . . . . . . 27.7 t70 -77.48 -25.54 50.55 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 113.357 0.873 . . . . 10.0 113.357 178.143 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1956 ' ' ASP . . . . . . . . . . . . . 33.9 t70 . . . . . 0 C--O 1.261 1.705 0 C-N-CA 126.987 2.115 . . . . 10.0 114.602 177.133 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.414 0 N-CA-C 111.441 -0.664 . . . . 10.0 111.441 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' -3' ' ' ALA . . . . . . . . . . . . . . . -142.31 170.2 16.15 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 125.983 1.713 . . . . 10.0 111.764 176.628 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 76.4 mtm -64.54 -8.39 13.75 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 114.496 1.295 . . . . 10.0 114.496 -178.527 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' -1' ' ' VAL . . . . . . . . . . . . . 50.2 t -61.79 -25.91 38.35 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 126.961 2.104 . . . . 10.0 112.874 179.239 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1863 ' ' VAL . . . . . . . . . . . . . 13.6 p -127.44 141.64 45.78 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 125.835 1.654 . . . . 10.0 110.897 -179.621 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1864 ' ' ASN . . . . . . . . . . . . . 64.3 m-80 -140.92 170.33 15.93 Favored 'General case' 0 CA--C 1.555 1.156 0 C-N-CA 125.484 1.514 . . . . 10.0 111.068 -171.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1865 ' ' CYS . . . . . . . . . . . . . 74.8 m -84.6 -4.19 58.86 Favored 'General case' 0 N--CA 1.486 1.351 0 N-CA-C 115.007 1.484 . . . . 10.0 115.007 -176.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1866 ' ' GLY . . . . . . . . . . . . . . . 88.45 176.9 47.2 Favored Glycine 0 N--CA 1.477 1.394 0 C-N-CA 124.946 1.26 . . . . 10.0 115.305 174.248 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1867 ' ' HIS . . . . . . . . . . . . . 29.6 t-80 -150.98 175.4 12.11 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 126.547 1.939 . . . . 10.0 112.236 -176.103 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1868 ' ' VAL . . . . . . . . . . . . . 6.4 p -63.79 137.79 24.14 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.316 0 O-C-N 120.246 -1.534 . . . . 10.0 110.863 167.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1869 ' ' THR . . . . . . . . . . . . . 42.4 p -144.29 172.52 12.81 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 125.326 1.451 . . . . 10.0 111.163 -178.193 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1870 ' ' ALA . . . . . . . . . . . . . . . -130.29 120.56 24.58 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.383 1.073 . . . . 10.0 109.562 170.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1871 ' ' TYR . . . . . . . . . . . . . 48.0 p90 -148.29 156.46 42.56 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 125.081 1.352 . . . . 10.0 112.423 -177.524 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1872 ' ' GLY . . . . . . . . . . . . . . . 136.38 175.46 13.82 Favored Glycine 0 CA--C 1.54 1.625 0 C-N-CA 125.547 1.546 . . . . 10.0 114.498 174.117 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1873 ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -65.4 -27.48 54.88 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 123.65 2.9 . . . . 10.0 113.22 -177.068 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1874 ' ' GLY . . . . . . . . . . . . . . . -69.22 -4.47 43.57 Favored Glycine 0 CA--C 1.549 2.169 0 N-CA-C 115.633 1.013 . . . . 10.0 115.633 177.124 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1875 ' ' LEU . . . . . . . . . . . . . 18.5 mt -103.43 -7.1 21.23 Favored 'General case' 0 CA--C 1.556 1.19 0 CA-C-N 119.742 1.771 . . . . 10.0 113.036 171.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1876 ' ' THR . . . . . . . . . . . . . 68.7 p -111.86 -41.12 4.08 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.267 1.027 . . . . 10.0 112.208 -176.487 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1877 ' ' HIS . . . . . . . . . . . . . 43.3 p-80 -143.27 -176.94 5.13 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 126.931 2.092 . . . . 10.0 112.042 178.498 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1878 ' ' GLY . . . . . . . . . . . . . . . -154.16 169.68 32.64 Favored Glycine 0 CA--C 1.537 1.468 0 C-N-CA 124.063 0.839 . . . . 10.0 113.468 170.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1879 ' ' VAL . . . . . . . . . . . . . 6.2 t -120.59 104.74 15.8 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.36 0 C-N-CA 125.692 1.597 . . . . 10.0 108.841 -178.072 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1880 ' ' VAL . . . . . . . . . . . . . 72.8 t -57.18 122.1 5.88 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 C-N-CA 123.632 0.773 . . . . 10.0 112.093 -178.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1881 ' ' ASN . . . . . . . . . . . . 0.253 64.7 m-80 67.78 11.23 8.27 Favored 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 127.826 2.45 . . . . 10.0 116.478 -177.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1882 ' ' LYS . . . . . . . . . . . . . 47.7 mtmt -128.74 151.58 77.4 Favored Pre-proline 0 CA--C 1.541 0.596 0 C-N-CA 124.576 1.151 . . . . 10.0 112.413 167.523 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1883 ' ' PRO . . . . . . . . . . . . . 39.8 Cg_exo -64.15 153.43 76.36 Favored 'Trans proline' 0 CA--C 1.544 0.977 0 C-N-CA 123.566 2.844 . . . . 10.0 111.698 -166.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1884 ' ' ALA . . . . . . . . . . . . . . . -141.75 156.75 45.58 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.458 1.103 . . . . 10.0 111.213 175.049 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1885 ' ' THR . . . . . . . . . . . . . 46.1 p -146.81 159.56 43.36 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.923 1.289 . . . . 10.0 112.521 -171.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1886 ' ' PHE . . . . . . . . . . . . . 48.5 p90 -150.23 172.3 15.56 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 125.611 1.564 . . . . 10.0 110.369 168.127 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1887 ' ' THR . . . . . . . . . . . . . 58.6 m -118.43 133.54 55.79 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 124.879 1.272 . . . . 10.0 110.865 -175.113 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1888 ' ' VAL . . . . . . . . . . . . . 1.5 m -126.3 82.3 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 CA-C-O 125.32 2.485 . . . . 10.0 108.098 171.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1889 ' ' ASN . . . . . . . . . . . . . 57.3 t30 -62.4 75.09 0.02 OUTLIER 'General case' 0 C--N 1.312 -1.037 0 C-N-CA 129.145 2.978 . . . . 10.0 113.024 177.307 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1890 ' ' THR . . . . . . . . . . . . . 16.8 p -76.03 35.23 0.13 Allowed 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 127.405 2.282 . . . . 10.0 113.544 174.423 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1891 ' ' LYS . . . . . . . . . . . . . 19.3 ptmt -30.13 -56.4 0.18 Allowed 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 130.438 3.495 . . . . 10.0 115.474 -170.373 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -125.82 4.02 7.39 Favored 'General case' 0 CA--C 1.555 1.155 0 C-N-CA 126.963 2.105 . . . . 10.0 113.228 172.03 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1893 ' ' ALA . . . . . . . . . . . . . . . -76.16 -4.19 40.31 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 129.051 2.941 . . . . 10.0 113.74 173.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -73.44 6.64 15.33 Favored Glycine 0 N--CA 1.475 1.281 0 C-N-CA 126.348 1.928 . . . . 10.0 115.404 -171.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1895 ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -69.32 -5.63 24.47 Favored 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 116.177 1.918 . . . . 10.0 116.177 -177.131 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1896 ' ' GLY . . . . . . . . . . . . . . . -154.83 -20.95 0.04 OUTLIER Glycine 0 N--CA 1.475 1.294 0 CA-C-O 118.327 -1.263 . . . . 10.0 114.547 172.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1897 ' ' GLY . . . . . . . . . . . . . . . 85.19 150.22 12.6 Favored Glycine 0 CA--C 1.532 1.134 0 C-N-CA 125.725 1.631 . . . . 10.0 114.065 178.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1898 ' ' LEU . . . . . . . . . . . . . 1.6 pp -89.87 -175.02 4.48 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 114.19 1.182 . . . . 10.0 114.19 176.015 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1899 ' ' SER . . . . . . . . . . . . . 23.7 t -147.23 149.67 33.37 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 125.593 1.557 . . . . 10.0 110.097 170.464 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1900 ' ' LEU . . . . . . . . . . . . . 4.4 pp -153.17 167.79 28.13 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.909 1.684 . . . . 10.0 111.611 171.194 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1901 ' ' ALA . . . . . . . . . . . . . . . -144.0 169.19 18.3 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.929 0.892 . . . . 10.0 112.102 169.154 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1902 ' ' ILE . . . . . . . . . . . . . 3.5 mp -121.63 135.01 63.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 C-N-CA 124.44 1.096 . . . . 10.0 108.877 173.495 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1903 ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -129.05 176.11 8.16 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 128.418 2.687 . . . . 10.0 111.374 176.094 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1904 ' ' GLY . . . . . . . . . . . . . . . 160.15 -154.5 25.54 Favored Glycine 0 CA--C 1.538 1.495 0 C-N-CA 124.001 0.81 . . . . 10.0 113.076 -178.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1905 ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -72.14 -13.34 28.5 Favored 'Trans proline' 0 CA--C 1.547 1.128 0 C-N-CA 122.17 1.913 . . . . 10.0 111.949 168.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1906 ' ' SER . . . . . . . . . . . . . 23.2 t -151.35 -174.25 4.76 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 128.733 2.813 . . . . 10.0 110.03 -168.344 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1907 ' ' LYS . . . . . . . . . . . . . 34.2 tptt -129.92 166.08 20.75 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 126.031 1.733 . . . . 10.0 111.983 -174.608 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1908 ' ' ALA . . . . . . . . . . . . . . . -135.75 159.64 41.03 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 127.156 2.182 . . . . 10.0 112.972 -177.384 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1909 ' ' GLU . . . . . . . . . . . . . 72.8 tt0 -85.0 78.55 9.89 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 124.371 1.068 . . . . 10.0 111.465 178.232 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1910 ' ' ILE . . . . . . . . . . . . . 20.0 mt -69.16 130.12 33.95 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 C-N-CA 125.156 1.382 . . . . 10.0 110.708 -178.682 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1911 ' ' SER . . . . . . . . . . . . . 11.0 t -146.63 152.36 38.76 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 123.418 0.687 . . . . 10.0 111.457 172.55 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1912 ' ' CYS . . . . . . . . . . . . . 60.0 m -125.51 154.49 42.03 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 124.034 0.934 . . . . 10.0 112.483 -171.316 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1913 ' ' THR . . . . . . . . . . . . . 62.0 m -131.3 143.5 50.58 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.106 0.962 . . . . 10.0 111.345 -176.371 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1914 ' ' ASP . . . . . . . . . . . . . 14.8 t0 -144.34 95.3 2.69 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 126.087 1.755 . . . . 10.0 111.089 178.183 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1915 ' ' ASN . . . . . . . . . . . . . 26.2 m120 -133.65 -155.14 0.65 Allowed 'General case' 0 CA--C 1.554 1.109 0 C-N-CA 126.85 2.06 . . . . 10.0 110.563 178.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1916 ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -45.37 -35.65 3.74 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 127.651 2.38 . . . . 10.0 115.5 -170.405 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1917 ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -75.88 -14.43 60.27 Favored 'General case' 0 CA--C 1.547 0.827 0 O-C-N 120.16 -1.588 . . . . 10.0 113.786 -178.587 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1918 ' ' GLY . . . . . . . . . . . . . . . 71.55 4.3 56.97 Favored Glycine 0 CA--C 1.537 1.419 0 C-N-CA 124.4 1.0 . . . . 10.0 115.596 174.546 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1919 ' ' THR . . . . . . . . . . . . . 65.0 p -71.45 175.05 5.81 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 126.231 1.812 . . . . 10.0 112.821 179.17 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1920 ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -106.26 22.51 15.62 Favored 'General case' 0 CA--C 1.549 0.922 0 O-C-N 121.463 -0.773 . . . . 10.0 111.634 171.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1921 ' ' SER . . . . . . . . . . . . . 21.6 m -40.94 133.65 2.11 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 128.24 2.616 . . . . 10.0 114.454 -168.693 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1922 ' ' VAL . . . . . . . . . . . . . 28.7 t -123.14 132.79 70.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 124.424 1.09 . . . . 10.0 110.353 -171.318 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1923 ' ' SER . . . . . . . . . . . . . 23.1 t -110.35 151.77 27.03 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 126.173 1.789 . . . . 10.0 110.529 169.534 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1924 ' ' TYR . . . . . . . . . . . . . 15.7 p90 -150.92 170.85 18.32 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 124.568 1.147 . . . . 10.0 111.367 174.559 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1925 ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -149.34 97.22 3.58 Favored Pre-proline 0 CA--C 1.538 0.51 0 C-N-CA 124.8 1.24 . . . . 10.0 108.84 -174.715 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1926 ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -72.82 150.43 49.71 Favored 'Trans proline' 0 CA--C 1.533 0.437 0 C-N-CA 123.497 2.798 . . . . 10.0 112.196 177.253 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1927 ' ' VAL . . . . . . . . . . . . . 33.3 m -116.08 -7.23 12.08 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.212 0 N-CA-C 114.889 1.44 . . . . 10.0 114.889 -178.055 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1928 ' ' LEU . . . . . . . . . . . . . 1.8 tt -148.16 143.59 17.76 Favored Pre-proline 0 N--CA 1.474 0.758 0 C-N-CA 125.278 1.431 . . . . 10.0 110.138 -178.35 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1929 ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -57.79 152.3 50.62 Favored 'Trans proline' 0 CA--C 1.541 0.845 0 C-N-CA 124.482 3.454 . . . . 10.0 113.825 177.587 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1930 ' ' GLY . . . . . . . . . . . . . . . 168.7 -178.78 41.95 Favored Glycine 0 N--CA 1.47 0.902 0 N-CA-C 116.218 1.247 . . . . 10.0 116.218 172.273 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1931 ' ' ASP . . . . . . . . . . . . . 17.9 p-10 -102.96 73.41 1.25 Allowed 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 127.097 2.159 . . . . 10.0 109.594 172.428 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1932 ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -66.32 158.07 30.07 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.084 1.354 . . . . 10.0 111.612 -175.399 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1933 ' ' SER . . . . . . . . . . . . . 31.9 t -120.01 117.15 27.27 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 126.553 1.941 . . . . 10.0 110.974 179.47 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1934 ' ' ILE . . . . . . . . . . . . . 3.5 mm -87.92 108.74 18.82 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 C-N-CA 123.638 0.775 . . . . 10.0 109.354 170.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1935 ' ' LEU . . . . . . . . . . . . . 2.8 mm? -86.99 87.89 7.57 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.357 1.463 . . . . 10.0 108.345 175.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1936 ' ' VAL . . . . . . . . . . . . . 19.1 t -90.08 139.72 17.07 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 CA-C-N 119.479 1.036 . . . . 10.0 110.72 177.211 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1937 ' ' LYS . . . . . . . . . . . . . 62.3 mttm -125.47 168.39 13.68 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 125.511 1.524 . . . . 10.0 111.821 170.545 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1938 ' ' TYR . . . . . . . . . . . . . 82.4 t80 -134.83 128.97 33.77 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.119 0.967 . . . . 10.0 109.745 163.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1939 ' ' ASN . . . . . . . . . . . . . 19.1 t-20 60.49 -59.97 0.07 Allowed 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 129.153 2.981 . . . . 10.0 114.217 -171.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1940 ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -152.32 -10.61 0.18 Allowed 'General case' 0 CA--C 1.555 1.137 0 N-CA-C 116.33 1.974 . . . . 10.0 116.33 -179.399 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1941 ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -137.02 159.37 42.08 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 125.371 1.469 . . . . 10.0 112.016 -173.162 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1942 ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -63.4 147.01 52.38 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 113.496 0.924 . . . . 10.0 113.496 -169.434 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1943 ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -67.18 161.58 62.44 Favored Pre-proline 0 CA--C 1.549 0.939 0 C-N-CA 126.201 1.8 . . . . 10.0 113.358 -177.441 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1944 ' ' PRO . . . . . . . . . . . . . 41.0 Cg_exo -59.24 -11.41 13.09 Favored 'Trans proline' 0 CA--C 1.537 0.634 0 C-N-CA 125.227 3.952 . . . . 10.0 118.016 -170.091 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1945 ' ' GLY . . . . . . . . . . . . . . . -132.2 1.66 4.97 Favored Glycine 0 CA--C 1.529 0.96 0 C-N-CA 128.34 2.876 . . . . 10.0 115.999 177.608 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1946 ' ' SER . . . . . . . . . . . . . 3.5 m -66.13 152.88 93.2 Favored Pre-proline 0 C--O 1.243 0.728 0 CA-C-N 119.779 1.79 . . . . 10.0 112.818 177.175 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1947 ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -78.69 168.34 75.29 Favored 'Cis proline' 0 CA--C 1.555 1.568 0 CA-C-N 119.355 0.805 . . . . 10.0 112.337 -5.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1948 ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -116.65 112.22 20.96 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 125.004 1.322 . . . . 10.0 111.138 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1949 ' ' THR . . . . . . . . . . . . . 57.5 m -73.97 110.14 8.02 Favored 'General case' 0 N--CA 1.49 1.575 0 C-N-CA 125.839 1.656 . . . . 10.0 111.635 173.466 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1950 ' ' ALA . . . . . . . . . . . . . . . -112.08 118.46 35.46 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.793 1.237 . . . . 10.0 112.408 179.561 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1951 ' ' ARG . . . . . . . . . . . . . 11.0 ttm180 -80.84 78.89 7.58 Favored 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 114.425 1.268 . . . . 10.0 114.425 -176.66 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1952 ' ' VAL . . . . . . . . . . . . . 46.6 t -56.7 94.97 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 C-N-CA 128.192 2.597 . . . . 10.0 110.9 168.416 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1953 ' ' THR . . . . . . . . . . . . . 61.5 m -89.18 133.02 34.58 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.253 1.021 . . . . 10.0 112.467 -168.569 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1954 ' ' GLY . . . . . . . . . . . . . . . -82.89 92.41 1.63 Allowed Glycine 0 N--CA 1.468 0.817 0 C-N-CA 126.387 1.946 . . . . 10.0 111.968 176.237 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1955 ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -68.59 -21.88 64.49 Favored 'General case' 0 N--CA 1.483 1.201 0 N-CA-C 113.845 1.054 . . . . 10.0 113.845 -176.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1956 ' ' ASP . . . . . . . . . . . . . 28.6 t70 . . . . . 0 C--O 1.254 1.306 0 C-N-CA 128.833 2.853 . . . . 10.0 111.975 173.009 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.445 0 N-CA-C 111.358 -0.697 . . . . 10.0 111.358 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' -3' ' ' ALA . . . . . . . . . . . . . . . -145.73 175.84 10.09 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 125.253 1.421 . . . . 10.0 111.421 177.491 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 63.2 mtt -134.17 164.74 26.67 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 125.643 1.577 . . . . 10.0 111.742 -179.339 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' -1' ' ' VAL . . . . . . . . . . . . . 21.2 t -113.85 -13.03 11.58 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 C-N-CA 125.321 1.448 . . . . 10.0 112.489 -177.479 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1863 ' ' VAL . . . . . . . . . . . . . 9.0 t 59.6 71.82 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 127.446 2.298 . . . . 10.0 110.108 -172.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1864 ' ' ASN . . . . . . . . . . . . . 22.8 t-20 36.02 -87.25 0.01 OUTLIER 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 129.848 3.259 . . . . 10.0 116.561 176.004 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1865 ' ' CYS . . . . . . . . . . . . . 27.8 p -64.32 -19.26 65.32 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.369 1.468 . . . . 10.0 114.64 178.205 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1866 ' ' GLY . . . . . . . . . . . . . . . 77.89 118.23 0.2 Allowed Glycine 0 CA--C 1.531 1.066 0 C-N-CA 125.303 1.43 . . . . 10.0 113.338 -179.363 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1867 ' ' HIS . . . . . . . . . . . . . 45.1 m170 -58.8 147.36 33.76 Favored 'General case' 0 C--O 1.241 0.622 0 CA-C-O 122.364 1.078 . . . . 10.0 111.829 172.145 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1868 ' ' VAL . . . . . . . . . . . . . 11.3 m -68.39 162.91 3.34 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.197 0 C-N-CA 124.299 1.04 . . . . 10.0 110.789 -179.426 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1869 ' ' THR . . . . . . . . . . . . . 16.7 p -139.28 166.27 24.99 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.19 1.396 . . . . 10.0 112.597 -176.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1870 ' ' ALA . . . . . . . . . . . . . . . -130.1 145.17 51.67 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 126.666 1.986 . . . . 10.0 111.211 177.131 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1871 ' ' TYR . . . . . . . . . . . . . 48.6 p90 -153.95 172.68 17.05 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 125.233 1.413 . . . . 10.0 111.737 -171.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1872 ' ' GLY . . . . . . . . . . . . . . . 111.18 170.05 19.06 Favored Glycine 0 N--CA 1.48 1.587 0 C-N-CA 125.591 1.567 . . . . 10.0 115.411 176.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1873 ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -71.47 -23.73 23.25 Favored 'Trans proline' 0 C--N 1.355 0.912 0 C-N-CA 123.778 2.985 . . . . 10.0 113.985 -172.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1874 ' ' GLY . . . . . . . . . . . . . . . -70.13 -6.29 56.49 Favored Glycine 0 CA--C 1.534 1.251 0 O-C-N 120.307 -1.496 . . . . 10.0 113.728 175.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1875 ' ' LEU . . . . . . . . . . . . . 42.7 mt -81.58 -17.11 49.44 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 119.332 1.566 . . . . 10.0 112.134 169.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1876 ' ' THR . . . . . . . . . . . . . 82.1 p -126.18 -19.09 4.81 Favored 'General case' 0 N--CA 1.485 1.308 0 N-CA-C 114.896 1.443 . . . . 10.0 114.896 -176.371 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1877 ' ' HIS . . . . . . . . . . . . . 43.8 t60 -130.88 175.36 9.12 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 125.663 1.585 . . . . 10.0 110.881 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1878 ' ' GLY . . . . . . . . . . . . . . . -167.32 169.13 40.88 Favored Glycine 0 CA--C 1.542 1.763 0 O-C-N 120.293 -1.504 . . . . 10.0 113.992 -179.185 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1879 ' ' VAL . . . . . . . . . . . . . 11.0 p -137.35 154.93 31.01 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.157 0 C-N-CA 127.247 2.219 . . . . 10.0 109.313 171.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1880 ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -121.49 149.87 24.64 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.215 0 N-CA-C 114.259 1.207 . . . . 10.0 114.259 -169.231 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1881 ' ' ASN . . . . . . . . . . . . . 52.2 m-80 61.27 0.25 0.41 Allowed 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 127.747 2.419 . . . . 10.0 114.258 -168.594 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1882 ' ' LYS . . . . . . . . . . . . . 48.5 mtmt -128.72 157.72 74.42 Favored Pre-proline 0 CA--C 1.543 0.684 0 C-N-CA 126.366 1.866 . . . . 10.0 109.935 167.351 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1883 ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -67.14 140.15 52.99 Favored 'Trans proline' 0 N--CA 1.447 -1.223 0 C-N-CA 124.624 3.549 . . . . 10.0 113.43 -168.155 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1884 ' ' ALA . . . . . . . . . . . . . . . -106.6 150.72 25.9 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-O 122.583 1.183 . . . . 10.0 110.27 168.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1885 ' ' THR . . . . . . . . . . . . . 49.1 p -147.92 161.09 42.02 Favored 'General case' 0 N--CA 1.474 0.766 0 O-C-N 120.813 -1.179 . . . . 10.0 112.119 -175.339 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1886 ' ' PHE . . . . . . . . . . . . . 51.1 p90 -150.78 177.53 10.0 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 127.284 2.234 . . . . 10.0 110.451 169.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1887 ' ' THR . . . . . . . . . . . . . 24.2 m -126.17 154.9 42.56 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 123.493 0.717 . . . . 10.0 111.067 -176.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1888 ' ' VAL . . . . . 0.698 ' CG2' ' H ' ' A' 1920 ' ' CYS . 15.8 m -133.43 -179.04 3.01 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 C-N-CA 126.164 1.786 . . . . 10.0 109.365 177.256 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1889 ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -137.02 63.94 1.55 Allowed 'General case' 0 C--O 1.244 0.8 0 CA-C-O 123.493 1.616 . . . . 10.0 110.641 168.337 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1890 ' ' THR . . . . . . . . . . . . . 17.6 p -80.24 66.84 5.88 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 128.315 2.646 . . . . 10.0 111.11 -176.521 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1891 ' ' LYS . . . . . . . . . . . . . 25.6 pttm -64.19 -26.88 68.72 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 116.985 2.216 . . . . 10.0 116.985 -169.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 29.8 t70 -137.62 9.12 2.87 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 126.184 1.794 . . . . 10.0 113.253 -178.142 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1893 ' ' ALA . . . . . . . . . . . . . . . -60.06 -22.64 62.96 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 117.773 2.509 . . . . 10.0 117.773 -169.453 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -58.61 -21.06 48.93 Favored Glycine 0 CA--C 1.543 1.828 0 C-N-CA 125.437 1.494 . . . . 10.0 113.968 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1895 ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -129.05 7.15 5.48 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 126.666 1.986 . . . . 10.0 112.661 174.644 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1896 ' ' GLY . . . . . . . . . . . . . . . -103.11 -25.26 7.56 Favored Glycine 0 N--CA 1.482 1.706 0 C-N-CA 127.151 2.31 . . . . 10.0 116.628 -176.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1897 ' ' GLY . . . . . . . . . . . . . . . 99.6 50.92 1.35 Allowed Glycine 0 CA--C 1.529 0.962 0 C-N-CA 125.946 1.736 . . . . 10.0 113.684 170.358 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1898 ' ' LEU . . . . . . . . . . . . . 3.1 tm? -76.07 135.35 39.9 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 124.689 1.196 . . . . 10.0 111.062 169.205 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1899 ' ' SER . . . . . . . . . . . . . 23.0 t -151.19 146.41 26.08 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 125.448 1.499 . . . . 10.0 110.023 168.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1900 ' ' LEU . . . . . . . . . . . . . 3.9 pp -151.69 164.5 36.8 Favored 'General case' 0 C--O 1.239 0.529 0 C-N-CA 124.467 1.107 . . . . 10.0 113.924 174.241 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1901 ' ' ALA . . . . . . . . . . . . . . . -151.47 171.12 18.04 Favored 'General case' 0 CA--C 1.554 1.107 0 C-N-CA 124.786 1.234 . . . . 10.0 111.11 169.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1902 ' ' ILE . . . . . . . . . . . . . 1.8 mp -114.57 136.47 51.09 Favored 'Isoleucine or valine' 0 C--O 1.238 0.466 0 C-N-CA 125.619 1.568 . . . . 10.0 108.85 170.369 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1903 ' ' GLU . . . . . . . . . . . . . 87.9 mt-10 -113.08 165.99 11.84 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 127.005 2.122 . . . . 10.0 111.42 169.612 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1904 ' ' GLY . . . . . . . . . . . . . . . 166.24 -165.38 38.18 Favored Glycine 0 CA--C 1.535 1.287 0 O-C-N 121.766 -0.584 . . . . 10.0 112.759 -178.38 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1905 ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -73.43 -22.65 18.3 Favored 'Trans proline' 0 CA--C 1.538 0.694 0 C-N-CA 121.909 1.74 . . . . 10.0 113.581 178.327 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1906 ' ' SER . . . . . . . . . . . . . 10.1 t -142.13 10.41 1.93 Allowed 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 126.181 1.792 . . . . 10.0 113.657 -168.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1907 ' ' LYS . . . . . . . . . . . . . 37.9 ttmt 37.35 91.19 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 129.949 3.3 . . . . 10.0 115.856 171.131 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1908 ' ' ALA . . . . . . . . . . . . . . . -54.54 147.27 14.46 Favored 'General case' 0 CA--C 1.553 1.084 0 N-CA-C 114.382 1.253 . . . . 10.0 114.382 -175.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1909 ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -83.12 113.99 21.01 Favored 'General case' 0 CA--C 1.536 0.434 0 O-C-N 120.716 -1.24 . . . . 10.0 112.903 -178.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1910 ' ' ILE . . . . . . . . . . . . . 30.1 mm -76.28 135.36 27.02 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.49 0 C-N-CA 125.306 1.442 . . . . 10.0 110.707 -176.286 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1911 ' ' SER . . . . . . . . . . . . . 15.5 t -142.96 167.37 22.22 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 127.221 2.209 . . . . 10.0 110.736 169.533 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1912 ' ' CYS . . . . . . . . . . . . . 28.5 p -151.35 167.21 28.62 Favored 'General case' 0 CA--C 1.541 0.609 0 O-C-N 120.271 -1.518 . . . . 10.0 113.969 -178.337 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1913 ' ' THR . . . . . . . . . . . . . 23.0 m -135.44 157.61 46.45 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 127.422 2.289 . . . . 10.0 110.126 176.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1914 ' ' ASP . . . . . . . . . . . . . 5.2 t0 -57.6 153.65 12.78 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 124.959 1.304 . . . . 10.0 112.146 175.165 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1915 ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -64.43 178.17 0.77 Allowed 'General case' 0 CA--C 1.556 1.187 0 C-N-CA 126.258 1.823 . . . . 10.0 114.163 179.391 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1916 ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -130.45 -54.24 1.09 Allowed 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.568 1.547 . . . . 10.0 112.426 172.629 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1917 ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -134.17 11.55 3.88 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 126.362 1.865 . . . . 10.0 113.733 -178.401 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1918 ' ' GLY . . . . . . . . . . . . . . . 105.47 57.69 0.66 Allowed Glycine 0 CA--C 1.544 1.87 0 C-N-CA 124.752 1.168 . . . . 10.0 112.882 -173.036 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1919 ' ' THR . . . . . . . . . . . . . 6.3 t -146.85 150.03 34.46 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.706 1.202 . . . . 10.0 112.995 175.308 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1920 ' ' CYS . . . . . 0.698 ' H ' ' CG2' ' A' 1888 ' ' VAL . 5.5 t -92.08 94.73 9.38 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 130.515 3.526 . . . . 10.0 110.129 -175.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1921 ' ' SER . . . . . . . . . . . . . 71.0 m -75.2 72.82 2.3 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.082 1.353 . . . . 10.0 112.465 179.299 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1922 ' ' VAL . . . . . . . . . . . . . 79.8 t -80.23 125.36 39.02 Favored 'Isoleucine or valine' 0 C--O 1.247 0.958 0 C-N-CA 126.316 1.846 . . . . 10.0 111.152 177.26 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1923 ' ' SER . . . . . . . . . . . . . 68.5 m -117.24 121.52 41.43 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 125.121 1.369 . . . . 10.0 108.602 169.5 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1924 ' ' TYR . . . . . . . . . . . . . 28.0 p90 -121.04 145.93 47.25 Favored 'General case' 0 CA--C 1.536 0.432 0 O-C-N 121.048 -1.032 . . . . 10.0 111.423 177.179 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1925 ' ' LEU . . . . . . . . . . . . . 1.8 mt -120.62 94.28 48.77 Favored Pre-proline 0 CA--C 1.549 0.927 0 C-N-CA 124.64 1.176 . . . . 10.0 111.701 -173.664 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1926 ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -71.98 133.8 22.26 Favored 'Trans proline' 0 CA--C 1.545 1.072 0 C-N-CA 122.307 2.005 . . . . 10.0 109.563 169.068 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1927 ' ' VAL . . . . . . . . . . . . . 31.4 m -103.52 -17.64 7.06 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 C-N-CA 124.499 1.12 . . . . 10.0 113.532 -173.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1928 ' ' LEU . . . . . . . . . . . . . 1.3 mp -138.23 150.74 67.85 Favored Pre-proline 0 CA--C 1.555 1.15 0 C-N-CA 125.113 1.365 . . . . 10.0 111.421 169.549 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1929 ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -57.08 158.11 18.75 Favored 'Trans proline' 0 N--CA 1.478 0.611 0 C-N-CA 123.047 2.498 . . . . 10.0 113.959 -178.009 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1930 ' ' GLY . . . . . . . . . . . . . . . 166.9 179.08 39.78 Favored Glycine 0 CA--C 1.533 1.187 0 N-CA-C 116.355 1.302 . . . . 10.0 116.355 -176.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1931 ' ' ASP . . . . . . . . . . . . . 10.9 t70 -109.78 68.52 0.67 Allowed 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 127.325 2.25 . . . . 10.0 109.05 179.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1932 ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -68.56 159.51 31.74 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 125.135 1.374 . . . . 10.0 111.952 -170.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1933 ' ' SER . . . . . . . . . . . . . 49.9 m -116.6 135.5 53.75 Favored 'General case' 0 N--CA 1.478 0.949 0 O-C-N 121.223 -0.923 . . . . 10.0 111.302 173.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1934 ' ' ILE . . . . . . . . . . . . . 7.2 mm -95.91 119.38 43.89 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.939 0 C-N-CA 124.061 0.945 . . . . 10.0 108.483 171.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1935 ' ' LEU . . . . . . . . . . . . . 3.2 mm? -110.78 96.3 6.08 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 125.122 1.369 . . . . 10.0 108.847 -178.127 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1936 ' ' VAL . . . . . . . . . . . . . 11.3 t -104.09 140.51 21.99 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 C-N-CA 123.802 0.841 . . . . 10.0 110.082 177.424 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1937 ' ' LYS . . . . . . . . . . . . . 68.3 mttm -131.09 148.32 52.72 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 127.475 2.31 . . . . 10.0 111.172 174.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1938 ' ' TYR . . . . . . . . . . . . . 41.4 t80 -137.74 120.52 16.36 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 125.557 1.543 . . . . 10.0 110.051 168.129 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1939 ' ' ASN . . . . . . . . . . . . . 3.8 t-20 51.6 68.24 0.83 Allowed 'General case' 0 CA--C 1.556 1.21 0 C-N-CA 125.797 1.639 . . . . 10.0 113.886 -179.644 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1940 ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 73.08 -2.06 2.85 Favored 'General case' 0 CA--C 1.558 1.269 0 C-N-CA 128.803 2.841 . . . . 10.0 116.515 170.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1941 ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -141.23 167.61 21.76 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-N 119.408 1.003 . . . . 10.0 113.491 174.096 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1942 ' ' HIS . . . . . . . . . . . . . 87.7 m-70 -64.26 151.9 42.44 Favored 'General case' 0 N--CA 1.481 1.086 0 N-CA-C 114.461 1.282 . . . . 10.0 114.461 -179.016 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1943 ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -67.48 163.85 43.67 Favored Pre-proline 0 CA--C 1.539 0.52 0 C-N-CA 125.706 1.602 . . . . 10.0 113.977 -178.065 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1944 ' ' PRO . . . . . . . . . . . . . 33.9 Cg_exo -58.19 105.12 0.2 Allowed 'Trans proline' 0 CA--C 1.538 0.685 0 C-N-CA 125.108 3.872 . . . . 10.0 111.739 177.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1945 ' ' GLY . . . . . . . . . . . . . . . 91.82 -2.74 76.9 Favored Glycine 0 CA--C 1.538 1.53 0 C-N-CA 125.5 1.524 . . . . 10.0 116.39 -179.075 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1946 ' ' SER . . . . . . . . . . . . . 2.7 m -66.56 161.12 62.36 Favored Pre-proline 0 N--CA 1.481 1.101 0 CA-C-N 120.136 1.968 . . . . 10.0 112.076 170.52 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1947 ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -73.95 172.75 59.91 Favored 'Cis proline' 0 CA--C 1.551 1.329 0 CA-C-N 118.939 0.657 . . . . 10.0 112.779 -9.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1948 ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -120.59 169.74 10.08 Favored 'General case' 0 CA--C 1.556 1.194 0 C-N-CA 126.139 1.776 . . . . 10.0 111.114 173.468 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1949 ' ' THR . . . . . . . . . . . . . 17.6 m -137.8 99.39 3.9 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.668 1.187 . . . . 10.0 112.044 -173.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1950 ' ' ALA . . . . . . . . . . . . . . . -91.28 107.28 19.09 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 126.16 1.784 . . . . 10.0 113.298 -174.37 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1951 ' ' ARG . . . . . . . . . . . . . 35.7 ttm180 -90.31 94.99 9.97 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 122.873 1.32 . . . . 10.0 114.345 -179.088 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1952 ' ' VAL . . . . . . . . . . . . . 42.1 t -58.83 114.21 0.8 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 C-N-CA 129.449 3.099 . . . . 10.0 112.193 169.479 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1953 ' ' THR . . . . . . . . . . . . . 6.2 t -67.09 -37.4 83.88 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 114.476 1.287 . . . . 10.0 114.476 -169.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1954 ' ' GLY . . . . . . . . . . . . . . . 67.33 78.72 0.25 Allowed Glycine 0 CA--C 1.534 1.23 0 C-N-CA 124.664 1.126 . . . . 10.0 113.68 -177.214 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1955 ' ' ASP . . . . . . . . . . . . . 31.3 t70 -67.04 -26.05 66.56 Favored 'General case' 0 CA--C 1.555 1.163 0 N-CA-C 114.574 1.324 . . . . 10.0 114.574 178.664 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1956 ' ' ASP . . . . . . . . . . . . . 20.4 t70 . . . . . 0 N--CA 1.488 1.445 0 C-N-CA 130.551 3.541 . . . . 10.0 116.679 179.438 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.25 0 N-CA-C 112.052 -0.419 . . . . 10.0 112.052 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' -3' ' ' ALA . . . . . . . . . . . . . . . -137.71 177.18 8.07 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 125.997 1.719 . . . . 10.0 111.715 174.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 16.3 tpt -137.73 121.75 17.84 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 125.728 1.611 . . . . 10.0 111.143 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -1' ' ' VAL . . . . . . . . . . . . . 60.0 t -74.88 122.04 27.6 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 C-N-CA 125.52 1.528 . . . . 10.0 110.127 177.451 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1863 ' ' VAL . . . . . . . . . . . . . 27.6 m -128.06 9.11 3.09 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 C-N-CA 124.121 0.968 . . . . 10.0 113.56 -177.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1864 ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -78.29 0.17 26.39 Favored 'General case' 0 CA--C 1.555 1.141 0 N-CA-C 116.063 1.875 . . . . 10.0 116.063 -173.026 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1865 ' ' CYS . . . . . . . . . . . . . 83.9 m 58.29 -4.14 0.06 Allowed 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 128.587 2.755 . . . . 10.0 118.028 176.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1866 ' ' GLY . . . . . . . . . . . . . . . 89.1 16.05 58.23 Favored Glycine 0 CA--C 1.535 1.335 0 C-N-CA 124.997 1.284 . . . . 10.0 114.4 -176.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1867 ' ' HIS . . . . . . . . . . . . . 7.5 t-80 33.19 -105.39 0.03 OUTLIER 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 129.517 3.127 . . . . 10.0 116.431 173.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1868 ' ' VAL . . . . . . . . . . . . . 10.8 p -133.34 138.35 51.39 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 C-N-CA 125.439 1.496 . . . . 10.0 112.941 -179.241 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1869 ' ' THR . . . . . . . . . . . . . 43.5 p -142.05 165.16 28.22 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 125.877 1.671 . . . . 10.0 112.122 179.15 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1870 ' ' ALA . . . . . . . . . . . . . . . -134.38 130.05 36.31 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.669 1.588 . . . . 10.0 110.515 172.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1871 ' ' TYR . . . . . . . . . . . . . 40.8 p90 -156.86 173.14 17.43 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 124.682 1.193 . . . . 10.0 111.728 -172.147 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1872 ' ' GLY . . . . . . . . . . . . . . . 117.54 167.63 14.34 Favored Glycine 0 CA--C 1.551 2.317 0 C-N-CA 125.179 1.371 . . . . 10.0 114.167 175.156 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1873 ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -68.22 -27.97 34.37 Favored 'Trans proline' 0 N--CA 1.455 -0.748 0 C-N-CA 122.03 1.82 . . . . 10.0 112.548 -175.434 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1874 ' ' GLY . . . . . . . . . . . . . . . -65.6 -3.68 15.56 Favored Glycine 0 CA--C 1.539 1.571 0 CA-C-O 118.131 -1.372 . . . . 10.0 116.372 178.149 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1875 ' ' LEU . . . . . . . . . . . . . 61.0 mt -93.99 -10.76 32.56 Favored 'General case' 0 CA--C 1.552 1.037 0 CA-C-N 120.481 2.141 . . . . 10.0 113.399 169.033 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1876 ' ' THR . . . . . . . . . . . . . 80.8 p -135.51 -15.55 1.87 Allowed 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 125.092 1.357 . . . . 10.0 114.006 -171.331 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1877 ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -145.13 -179.29 6.53 Favored 'General case' 0 CA--C 1.555 1.146 0 C-N-CA 128.286 2.635 . . . . 10.0 112.073 177.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1878 ' ' GLY . . . . . . . . . . . . . . . -173.85 175.09 46.45 Favored Glycine 0 N--CA 1.483 1.784 0 O-C-N 120.471 -1.393 . . . . 10.0 113.315 178.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1879 ' ' VAL . . . . . . . . . . . . . 19.6 t -133.79 108.56 11.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 125.398 1.479 . . . . 10.0 109.957 176.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1880 ' ' VAL . . . . . . . . . . . . . 94.1 t -61.25 134.6 26.59 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.285 0 O-C-N 120.674 -1.266 . . . . 10.0 110.848 177.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1881 ' ' ASN . . . . . . . . . . . . . 87.1 m-20 67.14 8.62 6.32 Favored 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 127.391 2.277 . . . . 10.0 116.722 -176.443 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1882 ' ' LYS . . . . . . . . . . . . . 1.7 tttp -124.14 147.06 53.38 Favored Pre-proline 0 N--CA 1.482 1.141 0 CA-C-N 119.116 0.871 . . . . 10.0 111.608 168.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1883 ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -51.43 112.44 0.81 Allowed 'Trans proline' 0 C--N 1.357 1.016 0 C-N-CA 124.107 3.205 . . . . 10.0 112.859 172.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1884 ' ' ALA . . . . . . . . . . . . . . . -94.92 153.67 17.57 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.47 1.108 . . . . 10.0 109.869 174.458 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1885 ' ' THR . . . . . . . . . . . . . 57.5 p -148.66 151.52 35.09 Favored 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 114.061 1.134 . . . . 10.0 114.061 -173.362 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1886 ' ' PHE . . . . . . . . . . . . . 22.9 p90 -143.44 162.66 35.22 Favored 'General case' 0 C--O 1.244 0.783 0 C-N-CA 125.161 1.384 . . . . 10.0 109.917 166.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1887 ' ' THR . . . . . . . . . . . . . 48.0 m -112.88 133.03 55.05 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.091 0.956 . . . . 10.0 110.131 -169.638 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1888 ' ' VAL . . . . . . . . . . . . . 5.2 m -127.71 143.87 39.35 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 C-N-CA 125.8 1.64 . . . . 10.0 108.153 167.645 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1889 ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -136.61 95.56 3.17 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 126.179 1.792 . . . . 10.0 110.797 -166.666 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1890 ' ' THR . . . . . . . . . . . . . 40.9 p -94.37 20.0 8.83 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 128.617 2.767 . . . . 10.0 113.854 -173.218 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1891 ' ' LYS . . . . . . . . . . . . . 22.5 pttm -31.74 -49.26 0.17 Allowed 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 130.234 3.413 . . . . 10.0 116.348 -177.266 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 37.7 t70 -118.13 5.05 11.98 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 125.783 1.633 . . . . 10.0 112.376 -177.48 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1893 ' ' ALA . . . . . . . . . . . . . . . -87.13 14.04 8.35 Favored 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 128.852 2.861 . . . . 10.0 114.757 -169.321 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -50.02 147.28 7.37 Favored Glycine 0 CA--C 1.543 1.794 0 C-N-CA 126.807 2.146 . . . . 10.0 113.286 -177.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1895 ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 63.75 5.72 2.38 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 126.784 2.034 . . . . 10.0 115.707 -174.165 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1896 ' ' GLY . . . . . . . . . . . . . . . -94.68 144.89 17.43 Favored Glycine 0 N--CA 1.474 1.218 0 C-N-CA 124.308 0.956 . . . . 10.0 113.406 173.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1897 ' ' GLY . . . . . . . . . . . . . . . -90.62 71.59 2.02 Favored Glycine 0 CA--C 1.528 0.847 0 C-N-CA 125.246 1.403 . . . . 10.0 113.689 -173.302 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1898 ' ' LEU . . . . . . . . . . . . . 3.2 tm? -65.46 118.35 9.29 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 125.127 1.371 . . . . 10.0 109.445 170.158 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1899 ' ' SER . . . . . . . . . . . . . 21.4 t -149.1 148.63 29.91 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 125.329 1.452 . . . . 10.0 111.287 176.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1900 ' ' LEU . . . . . . . . . . . . . 1.7 pp -154.65 171.68 19.1 Favored 'General case' 0 C--O 1.237 0.415 0 N-CA-C 115.745 1.757 . . . . 10.0 115.745 -178.414 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1901 ' ' ALA . . . . . . . . . . . . . . . -154.04 173.97 15.3 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.794 1.238 . . . . 10.0 111.843 168.55 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1902 ' ' ILE . . . . . . . . . . . . . 1.3 mp -123.0 145.99 29.01 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.871 0 C-N-CA 126.672 1.989 . . . . 10.0 110.689 175.524 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1903 ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -124.19 168.97 12.2 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 126.164 1.786 . . . . 10.0 110.048 170.502 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1904 ' ' GLY . . . . . . . . . . . . . . . 167.03 -163.0 36.79 Favored Glycine 0 CA--C 1.539 1.534 0 C-N-CA 123.863 0.744 . . . . 10.0 112.72 -178.558 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1905 ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -70.09 -17.59 36.0 Favored 'Trans proline' 0 C--N 1.355 0.9 0 C-N-CA 123.887 3.058 . . . . 10.0 112.787 172.143 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1906 ' ' SER . . . . . . . . . . . . . 9.1 t -151.36 170.93 18.36 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 128.992 2.917 . . . . 10.0 109.48 -168.609 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1907 ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -91.22 173.24 8.03 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.719 1.208 . . . . 10.0 111.97 175.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1908 ' ' ALA . . . . . . . . . . . . . . . -140.31 155.2 46.91 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.902 1.281 . . . . 10.0 110.932 171.185 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1909 ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -86.06 83.48 7.75 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.424 1.49 . . . . 10.0 111.855 -176.489 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1910 ' ' ILE . . . . . . . . . . . . . 11.6 mm -68.4 133.21 32.11 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 C-N-CA 124.636 1.174 . . . . 10.0 111.822 -173.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1911 ' ' SER . . . . . . . . . . . . . 16.0 t -146.88 97.42 2.9 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 126.409 1.884 . . . . 10.0 112.017 171.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1912 ' ' CYS . . . . . . . . . . . . . 26.4 p -69.82 149.27 48.08 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-O 121.676 0.75 . . . . 10.0 112.171 170.579 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1913 ' ' THR . . . . . . . . . . . . . 44.2 m -78.87 154.42 29.79 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.718 1.207 . . . . 10.0 112.459 168.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1914 ' ' ASP . . . . . . . . . . . . . 21.4 t0 -135.75 93.2 2.91 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.64 1.576 . . . . 10.0 110.895 170.437 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1915 ' ' ASN . . . . . . . . . . . . . 61.2 t-20 -123.7 133.68 53.84 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 125.455 1.502 . . . . 10.0 110.832 -170.615 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1916 ' ' GLN . . . . . . . . . . . . . 27.3 mp0 -60.69 -8.48 2.97 Favored 'General case' 0 CA--C 1.553 1.075 0 C-N-CA 126.093 1.757 . . . . 10.0 113.974 174.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1917 ' ' ASP . . . . . . . . . . . . . 32.9 t70 -80.31 -11.56 59.7 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 126.069 1.747 . . . . 10.0 112.723 176.617 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1918 ' ' GLY . . . . . . . . . . . . . . . 90.67 53.84 2.19 Favored Glycine 0 C--N 1.339 0.727 0 C-N-CA 125.544 1.545 . . . . 10.0 113.603 177.617 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1919 ' ' THR . . . . . . . . . . . . . 71.6 p -136.74 155.61 49.61 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 124.523 1.129 . . . . 10.0 111.044 174.302 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1920 ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -123.39 4.52 9.07 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 124.624 1.169 . . . . 10.0 113.086 175.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1921 ' ' SER . . . . . . . . . . . . . 60.3 m -8.33 99.56 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 130.067 3.347 . . . . 10.0 116.207 -179.666 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1922 ' ' VAL . . . . . . . . . . . . . 59.5 t -80.05 106.12 10.67 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.675 0 C-N-CA 125.626 1.57 . . . . 10.0 111.651 -176.468 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1923 ' ' SER . . . . . . . . . . . . . 68.1 m -89.4 144.03 26.37 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 124.344 1.057 . . . . 10.0 108.607 165.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1924 ' ' TYR . . . . . . . . . . . . . 24.4 p90 -148.43 165.62 30.59 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.763 1.625 . . . . 10.0 109.889 173.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1925 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -136.19 93.18 15.18 Favored Pre-proline 0 N--CA 1.479 0.982 0 O-C-N 120.909 -1.119 . . . . 10.0 109.667 -176.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1926 ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -72.18 139.35 32.26 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 122.496 2.131 . . . . 10.0 109.757 178.211 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1927 ' ' VAL . . . . . . . . . . . . . 28.7 m -112.64 -7.62 11.94 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 C-N-CA 124.675 1.19 . . . . 10.0 113.59 -174.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1928 ' ' LEU . . . . . . . . . . . . . 3.8 tt -146.12 135.13 11.19 Favored Pre-proline 0 CA--C 1.549 0.938 0 C-N-CA 125.093 1.357 . . . . 10.0 110.124 -177.487 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1929 ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo -51.56 132.18 39.75 Favored 'Trans proline' 0 N--CA 1.491 1.341 0 C-N-CA 123.912 3.075 . . . . 10.0 114.459 175.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1930 ' ' GLY . . . . . . . . . . . . . . . -172.57 173.63 45.45 Favored Glycine 0 CA--C 1.528 0.873 0 N-CA-C 116.435 1.334 . . . . 10.0 116.435 -174.651 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1931 ' ' ASP . . . . . . . . . . . . . 33.7 m-20 -104.91 61.75 0.7 Allowed 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 127.071 2.148 . . . . 10.0 110.474 178.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1932 ' ' TYR . . . . . . . . . . . . . 56.0 m-85 -63.2 115.46 4.53 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.287 1.035 . . . . 10.0 113.628 -168.622 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1933 ' ' SER . . . . . . . . . . . . . 66.4 m -74.02 145.84 44.22 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-O 121.376 0.608 . . . . 10.0 110.826 172.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1934 ' ' ILE . . . . . . . . . . . . . 3.9 mm -114.94 124.46 71.62 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 C-N-CA 126.562 1.945 . . . . 10.0 109.666 175.442 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1935 ' ' LEU . . . . . . . . . . . . . 2.8 mm? -117.36 95.35 4.93 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 125.185 1.394 . . . . 10.0 109.837 -173.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1936 ' ' VAL . . . . . . . . . . . . . 15.9 t -105.84 138.73 29.73 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 O-C-N 120.895 -1.128 . . . . 10.0 109.79 -177.097 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1937 ' ' LYS . . . . . . . . . . . . . 98.3 mttt -129.39 151.65 49.79 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.873 1.669 . . . . 10.0 111.185 174.006 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1938 ' ' TYR . . . . . . . . . . . . . 80.3 t80 -137.22 103.41 5.1 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 108.246 -1.02 . . . . 10.0 108.246 171.25 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1939 ' ' ASN . . . . . . . . . . . . . 1.2 t30 59.52 73.87 0.46 Allowed 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 127.608 2.363 . . . . 10.0 113.013 -169.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1940 ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 58.03 -9.25 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.747 0 C-N-CA 129.939 3.295 . . . . 10.0 117.815 175.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1941 ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -111.33 145.32 39.04 Favored 'General case' 0 C--O 1.238 0.461 0 C-N-CA 126.022 1.729 . . . . 10.0 110.202 177.18 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1942 ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -62.03 148.75 43.03 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-O 121.772 0.796 . . . . 10.0 113.147 175.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1943 ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.82 166.39 15.7 Favored Pre-proline 0 CA--C 1.549 0.912 0 C-N-CA 126.41 1.884 . . . . 10.0 113.106 -174.54 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1944 ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -58.52 1.54 0.26 Allowed 'Trans proline' 0 CA--C 1.55 1.323 1 C-N-CA 126.84 5.027 . . . . 10.0 118.046 -172.864 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1945 ' ' GLY . . . . . . . . . . . . . . . -148.82 2.97 0.67 Allowed Glycine 0 CA--C 1.539 1.584 0 C-N-CA 126.779 2.133 . . . . 10.0 115.47 176.603 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1946 ' ' SER . . . . . . . . . . . . . 1.5 m -76.35 162.32 71.53 Favored Pre-proline 0 N--CA 1.482 1.148 0 CA-C-N 120.282 2.041 . . . . 10.0 112.52 -175.485 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1947 ' ' PRO . . . . . . . . . . . . . 64.8 Cg_endo -73.03 172.57 59.58 Favored 'Cis proline' 0 CA--C 1.537 0.64 0 CA-C-O 121.515 0.548 . . . . 10.0 112.775 -10.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1948 ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -120.89 168.59 11.31 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.369 1.468 . . . . 10.0 111.328 173.317 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1949 ' ' THR . . . . . . . . . . . . . 24.6 m -142.44 99.08 3.42 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 124.73 1.212 . . . . 10.0 110.293 -179.266 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1950 ' ' ALA . . . . . . . . . . . . . . . -70.72 163.72 26.57 Favored 'General case' 0 N--CA 1.446 -0.631 0 C-N-CA 125.485 1.514 . . . . 10.0 113.077 175.063 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1951 ' ' ARG . . . . . . . . . . . . . 19.6 ttm180 -134.0 78.49 1.76 Allowed 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 126.124 1.77 . . . . 10.0 110.347 178.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1952 ' ' VAL . . . . . . . . . . . . . 3.0 t -66.23 97.74 0.27 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.543 0 C-N-CA 127.245 2.218 . . . . 10.0 111.559 177.178 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1953 ' ' THR . . . . . . . . . . . . . 35.2 p -70.51 129.49 39.38 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.011 0.924 . . . . 10.0 111.819 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1954 ' ' GLY . . . . . . . . . . . . . . . -85.67 179.51 50.23 Favored Glycine 0 CA--C 1.534 1.272 0 C-N-CA 126.549 2.023 . . . . 10.0 113.622 177.572 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1955 ' ' ASP . . . . . . . . . . . . . 33.0 t70 -124.15 -29.14 3.62 Favored 'General case' 0 CA--C 1.558 1.257 0 C-N-CA 125.278 1.431 . . . . 10.0 113.609 175.438 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1956 ' ' ASP . . . . . . . . . . . . . 28.9 t70 . . . . . 0 C--O 1.258 1.552 0 C-N-CA 124.527 1.131 . . . . 10.0 112.898 177.374 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A 1868 ' ' VAL . . . . . . . . . . . . . 14.7 p . . . . . 0 C--O 1.236 0.359 0 N-CA-C 109.839 -0.43 . . . . 10.0 109.839 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A 1869 ' ' THR . . . . . . . . . . . . . 20.6 m -137.72 155.3 49.23 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 125.73 1.612 . . . . 10.0 110.539 -170.73 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1870 ' ' ALA . . . . . . . . . . . . . . . -131.63 127.55 37.26 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 126.238 1.815 . . . . 10.0 110.108 169.843 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1871 ' ' TYR . . . . . . . . . . . . . 42.5 p90 -148.89 162.57 39.59 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.974 1.31 . . . . 10.0 113.186 -175.294 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1872 ' ' GLY . . . . . . . . . . . . . . . 123.48 169.42 13.21 Favored Glycine 0 CA--C 1.54 1.646 0 C-N-CA 124.545 1.069 . . . . 10.0 114.055 178.637 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1873 ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.52 -24.01 31.24 Favored 'Trans proline' 0 C--N 1.358 1.047 0 C-N-CA 122.818 2.345 . . . . 10.0 113.592 -177.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1874 ' ' GLY . . . . . . . . . . . . . . . -70.32 -3.32 46.08 Favored Glycine 0 CA--C 1.533 1.189 0 CA-C-O 118.291 -1.283 . . . . 10.0 115.762 178.549 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1875 ' ' LEU . . . . . . . . . . . . . 89.2 mt -89.19 -15.9 32.61 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 119.142 1.471 . . . . 10.0 113.273 168.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1876 ' ' THR . . . . . . . . . . . . . 8.9 t -128.74 -23.57 3.1 Favored 'General case' 0 N--CA 1.484 1.26 0 N-CA-C 115.054 1.501 . . . . 10.0 115.054 -167.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1877 ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -140.83 168.46 19.74 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 125.754 1.622 . . . . 10.0 111.038 177.179 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1878 ' ' GLY . . . . . . . . . . . . . . . -152.03 170.45 31.39 Favored Glycine 0 N--CA 1.478 1.437 0 C-N-CA 124.776 1.179 . . . . 10.0 114.182 178.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1879 ' ' VAL . . . . . . . . . . . . . 40.8 t -135.1 114.25 16.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 125.044 1.337 . . . . 10.0 109.016 174.007 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1880 ' ' VAL . . . . . 0.42 HG23 HG12 ' A' 1952 ' ' VAL . 91.1 t -60.35 134.52 25.62 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.519 0 C-N-CA 123.927 0.891 . . . . 10.0 111.265 179.76 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1881 ' ' ASN . . . . . . . . . . . . . 87.2 m-20 64.95 4.84 2.63 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 128.314 2.646 . . . . 10.0 116.691 -178.449 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1882 ' ' LYS . . . . . 0.416 ' HA ' ' HD3' ' A' 1883 ' ' PRO . 0.3 OUTLIER -122.18 139.52 30.72 Favored Pre-proline 0 CA--C 1.545 0.769 0 CA-C-N 121.422 1.919 . . . . 10.0 111.077 170.337 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A 1883 ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' 1882 ' ' LYS . 73.6 Cg_exo -52.85 122.12 10.47 Favored 'Trans proline' 0 CA--C 1.536 0.606 0 C-N-CA 123.635 2.89 . . . . 10.0 113.419 -171.178 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1884 ' ' ALA . . . . . . . . . . . . . . . -93.0 138.71 31.24 Favored 'General case' 0 C--O 1.241 0.619 0 C-N-CA 124.465 1.106 . . . . 10.0 109.371 173.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1885 ' ' THR . . . . . . . . . . . . . 33.9 p -143.38 151.43 40.41 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 113.295 0.85 . . . . 10.0 113.295 -174.699 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1886 ' ' PHE . . . . . . . . . . . . . 44.8 p90 -149.92 169.16 21.79 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.072 1.349 . . . . 10.0 111.062 167.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1887 ' ' THR . . . . . . . . . . . . . 79.6 m -110.46 139.79 45.34 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.433 1.093 . . . . 10.0 111.424 -173.566 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1888 ' ' VAL . . . . . 0.429 HG23 ' HB3' ' A' 1920 ' ' CYS . 3.9 m -124.87 152.1 30.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 125.664 1.585 . . . . 10.0 109.189 168.658 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1889 ' ' ASN . . . . . . . . . . . . . 45.2 t30 -147.27 101.09 3.35 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 125.655 1.582 . . . . 10.0 111.943 -169.526 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 24.3 p -79.29 34.72 0.26 Allowed 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 126.171 1.788 . . . . 10.0 113.569 179.065 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1891 ' ' LYS . . . . . . . . . . . . . 12.1 ptmm? -37.97 -39.35 0.38 Allowed 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 128.945 2.898 . . . . 10.0 117.439 -171.247 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -124.63 -12.48 7.17 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 124.686 1.194 . . . . 10.0 113.954 171.145 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1893 ' ' ALA . . . . . . . . . . . . . . . -63.67 -37.22 86.53 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 125.762 1.625 . . . . 10.0 115.333 171.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.515 0 CA-C-N 119.147 0.885 . . . . 10.0 114.409 -178.975 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A 1898 ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.543 0.676 0 CA-C-O 121.075 0.464 . . . . 10.0 111.339 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1899 ' ' SER . . . . . . . . . . . . . 9.4 t -146.48 160.78 41.66 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 120.821 -1.174 . . . . 10.0 112.827 -177.553 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1900 ' ' LEU . . . . . 0.57 HD11 HG21 ' A' 1922 ' ' VAL . 73.3 mt -129.72 163.75 25.48 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.638 1.175 . . . . 10.0 114.152 179.225 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1901 ' ' ALA . . . . . . . . . . . . . . . -145.72 145.28 30.8 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 126.202 1.801 . . . . 10.0 107.755 165.435 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1902 ' ' ILE . . . . . . . . . . . . . 1.1 mp -124.43 132.4 71.4 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 124.842 1.257 . . . . 10.0 109.363 179.396 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1903 ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 -118.09 172.49 7.38 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 127.252 2.221 . . . . 10.0 111.269 177.187 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1904 ' ' GLY . . . . . . . . . . . . . . . 155.58 -162.81 31.35 Favored Glycine 0 CA--C 1.546 1.99 0 C-N-CA 125.412 1.482 . . . . 10.0 112.409 -175.343 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1905 ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -71.11 -17.95 31.16 Favored 'Trans proline' 0 CA--C 1.545 1.029 0 C-N-CA 123.565 2.844 . . . . 10.0 112.907 169.028 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1906 ' ' SER . . . . . . . . . . . . . 13.8 t -149.68 171.65 16.34 Favored 'General case' 0 C--O 1.243 0.732 0 C-N-CA 128.834 2.854 . . . . 10.0 109.478 -167.096 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1907 ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -116.33 173.84 6.38 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.268 1.427 . . . . 10.0 112.22 -170.477 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1908 ' ' ALA . . . . . . . . . . . . . . . -144.23 171.55 14.15 Favored 'General case' 0 CA--C 1.56 1.351 0 C-N-CA 126.591 1.957 . . . . 10.0 112.434 178.013 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1909 ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -96.12 -6.43 38.49 Favored 'General case' 0 N--CA 1.484 1.266 0 N-CA-C 116.016 1.858 . . . . 10.0 116.016 -170.035 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1910 ' ' ILE . . . . . . . . . . . . . 4.0 mt 25.29 72.21 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 131.371 3.869 . . . . 10.0 113.073 -176.336 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1911 ' ' SER . . . . . . . . . . . . . 6.0 t -81.18 170.18 16.45 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.308 1.443 . . . . 10.0 111.865 171.025 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1912 ' ' CYS . . . . . . . . . . . . . 30.3 p -149.27 172.96 14.03 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 113.391 0.886 . . . . 10.0 113.391 171.675 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1913 ' ' THR . . . . . . . . . . . . . 24.3 m -139.02 133.97 32.38 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 125.706 1.602 . . . . 10.0 110.905 178.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1914 ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -70.51 -42.51 71.21 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.526 1.13 . . . . 10.0 113.856 -175.7 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1915 ' ' ASN . . . . . . . . . . . . . 67.9 m-80 49.89 -165.65 0.03 OUTLIER 'General case' 0 CA--C 1.554 1.119 0 C-N-CA 127.72 2.408 . . . . 10.0 112.951 -169.431 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1916 ' ' GLN . . . . . . . . . . . . . 19.4 tt0 -120.64 9.24 10.76 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 126.952 2.101 . . . . 10.0 111.305 170.553 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1917 ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -100.57 -2.9 31.72 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 125.855 1.662 . . . . 10.0 113.932 -173.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1918 ' ' GLY . . . . . . . . . . . . . . . 91.3 -3.42 79.66 Favored Glycine 0 CA--C 1.538 1.509 0 C-N-CA 124.925 1.25 . . . . 10.0 115.989 173.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1919 ' ' THR . . . . . . . . . . . . . 70.0 p -75.89 169.71 17.62 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.813 1.245 . . . . 10.0 111.997 177.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1920 ' ' CYS . . . . . 0.429 ' HB3' HG23 ' A' 1888 ' ' VAL . 0.5 OUTLIER -115.54 41.26 2.54 Favored 'General case' 0 CA--C 1.551 0.982 0 O-C-N 121.492 -0.755 . . . . 10.0 109.856 168.224 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A 1921 ' ' SER . . . . . . . . . . . . . 10.6 t -33.91 115.06 0.22 Allowed 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 128.177 2.591 . . . . 10.0 114.561 -167.689 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1922 ' ' VAL . . . . . 0.57 HG21 HD11 ' A' 1900 ' ' LEU . 86.1 t -96.31 137.12 25.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 123.568 0.747 . . . . 10.0 110.931 -173.322 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1923 ' ' SER . . . . . . . . . . . . . 72.7 m -135.33 119.19 17.3 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 125.396 1.478 . . . . 10.0 111.359 178.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1924 ' ' TYR . . . . . . . . . . . . . 16.4 p90 -132.34 174.87 9.79 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.998 1.319 . . . . 10.0 110.441 179.413 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1925 ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -140.98 97.45 7.06 Favored Pre-proline 0 CA--C 1.551 0.981 0 O-C-N 120.409 -1.432 . . . . 10.0 111.218 -174.796 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1926 ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -70.45 122.09 8.6 Favored 'Trans proline' 0 C--N 1.356 0.924 0 C-N-CA 122.221 1.947 . . . . 10.0 111.355 169.181 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1927 ' ' VAL . . . . . . . . . . . . . 28.8 m -106.02 0.18 10.07 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.247 0 C-N-CA 125.553 1.541 . . . . 10.0 114.308 -175.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1928 ' ' LEU . . . . . . . . . . . . . 4.8 tt -149.6 135.01 9.76 Favored Pre-proline 0 CA--C 1.563 1.475 0 C-N-CA 125.845 1.658 . . . . 10.0 109.607 175.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1929 ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -57.8 138.43 86.03 Favored 'Trans proline' 0 CA--C 1.546 1.097 0 C-N-CA 123.255 2.637 . . . . 10.0 113.975 -177.256 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1930 ' ' GLY . . . . . . . . . . . . . . . 175.08 -178.16 46.88 Favored Glycine 0 N--CA 1.477 1.386 0 N-CA-C 117.643 1.817 . . . . 10.0 117.643 -175.685 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1931 ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -99.1 82.18 2.69 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 126.115 1.766 . . . . 10.0 109.651 178.581 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1932 ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -80.07 101.73 8.9 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.834 1.254 . . . . 10.0 111.027 -170.699 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1933 ' ' SER . . . . . . . . . . . . . 73.5 m -79.66 110.47 15.02 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 124.065 0.946 . . . . 10.0 112.213 -176.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1934 ' ' ILE . . . . . . . . . . . . . 1.2 mp -76.83 129.24 37.53 Favored 'Isoleucine or valine' 0 C--O 1.243 0.713 0 C-N-CA 124.882 1.273 . . . . 10.0 109.294 170.733 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1935 ' ' LEU . . . . . . . . . . . . . 3.0 mm? -106.64 100.86 10.35 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 126.887 2.075 . . . . 10.0 108.039 167.774 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1936 ' ' VAL . . . . . . . . . . . . . 15.6 t -87.2 129.18 39.07 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.405 0 CA-C-N 119.847 1.203 . . . . 10.0 110.159 172.579 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1937 ' ' LYS . . . . . . . . . . . . . 73.9 mttt -119.47 144.62 46.88 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.711 1.204 . . . . 10.0 111.681 169.726 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1938 ' ' TYR . . . . . . . . . . . . . 71.1 t80 -127.88 118.0 22.84 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 125.296 1.439 . . . . 10.0 108.313 169.511 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1939 ' ' ASN . . . . . . . . . . . . . 43.3 t30 44.77 71.89 0.23 Allowed 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 126.305 1.842 . . . . 10.0 114.039 -172.597 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1940 ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 68.15 -9.12 0.51 Allowed 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 128.516 2.726 . . . . 10.0 116.293 172.087 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1941 ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -127.39 159.72 33.61 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.331 1.452 . . . . 10.0 112.504 179.572 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1942 ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -72.65 155.21 40.24 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 113.853 1.057 . . . . 10.0 113.853 -173.662 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1943 ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -73.47 163.94 64.74 Favored Pre-proline 0 CA--C 1.542 0.651 0 C-N-CA 125.499 1.519 . . . . 10.0 113.205 179.221 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1944 ' ' PRO . . . . . . . . . . . . . 47.8 Cg_exo -64.62 -20.21 65.31 Favored 'Trans proline' 0 CA--C 1.55 1.281 0 C-N-CA 124.411 3.407 . . . . 10.0 115.918 -170.289 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1945 ' ' GLY . . . . . . . . . . . . . . . -114.15 -1.88 23.54 Favored Glycine 0 CA--C 1.541 1.667 0 C-N-CA 126.851 2.167 . . . . 10.0 114.641 -178.486 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1946 ' ' SER . . . . . . . . . . . . . 5.9 m -69.45 155.33 93.73 Favored Pre-proline 0 CA--C 1.545 0.774 0 CA-C-N 118.485 1.143 . . . . 10.0 112.349 178.068 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1947 ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -72.24 172.58 57.02 Favored 'Cis proline' 0 CA--C 1.548 1.178 0 CA-C-N 119.998 1.035 . . . . 10.0 112.848 -11.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1948 ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -120.63 165.64 14.76 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.726 1.61 . . . . 10.0 109.236 167.085 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1949 ' ' THR . . . . . . . . . . . . . 8.8 m -142.23 98.51 3.33 Favored 'General case' 0 N--CA 1.479 1.023 0 O-C-N 121.2 -0.938 . . . . 10.0 110.93 -175.405 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1950 ' ' ALA . . . . . . . . . . . . . . . -74.99 103.84 5.34 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.363 1.065 . . . . 10.0 111.672 174.775 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1951 ' ' ARG . . . . . . . . . . . . . 65.7 ttt-85 -79.85 91.28 5.34 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-O 123.074 1.416 . . . . 10.0 111.055 175.12 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1952 ' ' VAL . . . . . 0.42 HG12 HG23 ' A' 1880 ' ' VAL . 2.4 t -68.1 115.54 6.5 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 128.18 2.592 . . . . 10.0 112.575 174.182 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1953 ' ' THR . . . . . . . . . . . . . 5.7 t -93.46 151.28 19.83 Favored 'General case' 0 C--O 1.243 0.753 0 C-N-CA 124.351 1.06 . . . . 10.0 111.53 171.233 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1954 ' ' GLY . . . . . . . . . . . . . . . -105.62 167.95 15.01 Favored Glycine 0 CA--C 1.535 1.297 0 CA-C-O 122.399 1.0 . . . . 10.0 114.48 -176.636 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1955 ' ' ASP . . . . . . . . . . . . . 37.4 t70 -129.36 -12.79 4.46 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 126.278 1.831 . . . . 10.0 113.977 -173.219 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1956 ' ' ASP . . . . . . . . . . . . . 33.8 t70 . . . . . 0 C--O 1.252 1.184 0 C-N-CA 126.614 1.966 . . . . 10.0 113.067 -178.187 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A 1868 ' ' VAL . . . . . . . . . . . . . 9.2 p . . . . . 0 N--CA 1.476 0.834 0 N-CA-C 109.383 -0.599 . . . . 10.0 109.383 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A 1869 ' ' THR . . . . . . . . . . . . . 73.1 p -139.9 -173.76 3.73 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 125.721 1.608 . . . . 10.0 109.557 -172.009 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1870 ' ' ALA . . . . . . . . . . . . . . . -133.22 127.35 33.55 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 125.367 1.467 . . . . 10.0 110.916 169.309 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1871 ' ' TYR . . . . . . . . . . . . . 47.4 p90 -147.63 160.48 42.62 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.483 1.113 . . . . 10.0 111.64 179.407 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1872 ' ' GLY . . . . . . . . . . . . . . . 131.18 169.65 12.47 Favored Glycine 0 CA--C 1.545 1.928 0 C-N-CA 125.718 1.628 . . . . 10.0 113.1 176.572 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1873 ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -74.42 -19.58 19.23 Favored 'Trans proline' 0 CA--C 1.546 1.101 0 C-N-CA 123.396 2.731 . . . . 10.0 113.804 -170.44 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1874 ' ' GLY . . . . . . . . . . . . . . . -73.68 -12.49 80.62 Favored Glycine 0 CA--C 1.531 1.032 0 CA-C-O 118.341 -1.255 . . . . 10.0 114.441 173.602 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1875 ' ' LEU . . . . . . . . . . . . . 44.7 mt -86.26 -9.4 56.55 Favored 'General case' 0 C--N 1.352 0.688 0 CA-C-N 119.298 1.549 . . . . 10.0 113.063 171.743 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1876 ' ' THR . . . . . . . . . . . . . 70.2 p -118.63 -29.68 5.34 Favored 'General case' 0 N--CA 1.494 1.762 0 C-N-CA 126.1 1.76 . . . . 10.0 113.439 -172.378 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1877 ' ' HIS . . . . . . . . . . . . . 3.2 p-80 -145.42 -178.49 6.1 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 119.24 0.927 . . . . 10.0 112.23 173.731 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1878 ' ' GLY . . . . . . . . . . . . . . . -151.52 163.49 29.95 Favored Glycine 0 N--CA 1.468 0.811 0 C-N-CA 125.135 1.35 . . . . 10.0 113.398 178.298 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1879 ' ' VAL . . . . . . . . . . . . . 11.5 t -132.44 109.79 15.29 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.421 0 C-N-CA 124.851 1.26 . . . . 10.0 110.652 178.803 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1880 ' ' VAL . . . . . . . . . . . . . 57.9 t -59.74 124.06 13.33 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 C-N-CA 124.671 1.188 . . . . 10.0 110.691 -177.598 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1881 ' ' ASN . . . . . . . . . . . . . 76.0 m-20 67.32 17.09 10.19 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 128.207 2.603 . . . . 10.0 116.271 -172.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1882 ' ' LYS . . . . . 0.428 ' HA ' ' HD3' ' A' 1883 ' ' PRO . 14.1 tppt? -137.68 144.8 46.08 Favored Pre-proline 0 N--CA 1.483 1.221 0 O-C-N 120.627 -1.296 . . . . 10.0 112.074 172.407 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1883 ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' 1882 ' ' LYS . 92.9 Cg_exo -55.66 141.01 84.6 Favored 'Trans proline' 0 C--O 1.239 0.558 0 C-N-CA 123.964 3.109 . . . . 10.0 114.323 -175.118 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1884 ' ' ALA . . . . . . . . . . . . . . . -123.18 149.26 44.85 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 126.956 2.102 . . . . 10.0 109.087 168.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1885 ' ' THR . . . . . . . . . . . . . 5.8 t -161.95 156.12 21.96 Favored 'General case' 0 N--CA 1.482 1.142 0 N-CA-C 115.243 1.571 . . . . 10.0 115.243 -168.255 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1886 ' ' PHE . . . . . . . . . . . . . 47.0 p90 -152.9 177.24 10.97 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 124.52 1.128 . . . . 10.0 113.314 -177.242 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1887 ' ' THR . . . . . . . . . . . . . 88.8 m -127.55 141.05 51.75 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.41 1.484 . . . . 10.0 110.233 -171.355 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1888 ' ' VAL . . . . . . . . . . . . . 1.2 m -137.56 63.09 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 C-N-CA 127.775 2.43 . . . . 10.0 108.542 -175.222 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1889 ' ' ASN . . . . . . . . . . . . . 63.9 t-20 -62.04 101.62 0.23 Allowed 'General case' 0 C--N 1.317 -0.832 0 C-N-CA 128.454 2.702 . . . . 10.0 111.796 -175.489 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 17.0 p -66.52 -27.22 67.59 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 126.118 1.767 . . . . 10.0 114.844 179.156 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1891 ' ' LYS . . . . . . . . . . . . . 54.6 mttp 58.17 -68.22 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 127.864 2.466 . . . . 10.0 113.438 -170.396 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 29.7 t70 -140.94 8.11 2.08 Favored 'General case' 0 CA--C 1.561 1.373 0 C-N-CA 126.97 2.108 . . . . 10.0 112.782 171.206 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1893 ' ' ALA . . . . . . . . . . . . . . . -67.81 71.9 0.15 Allowed 'General case' 0 CA--C 1.555 1.139 0 C-N-CA 129.006 2.923 . . . . 10.0 113.707 178.1 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 1.814 0 C-N-CA 125.546 1.546 . . . . 10.0 116.053 176.232 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A 1898 ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.543 0.706 0 N-CA-C 109.316 -0.624 . . . . 10.0 109.316 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1899 ' ' SER . . . . . . . . . . . . . 59.6 m -130.49 145.61 51.88 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 127.751 2.42 . . . . 10.0 110.542 176.771 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1900 ' ' LEU . . . . . . . . . . . . . 4.6 pp -152.56 169.91 21.47 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 115.104 1.52 . . . . 10.0 115.104 177.18 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1901 ' ' ALA . . . . . . . . . . . . . . . -153.79 170.43 20.98 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 126.375 1.87 . . . . 10.0 112.462 168.129 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1902 ' ' ILE . . . . . . . . . . . . . 2.7 mp -121.26 139.4 48.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 125.394 1.478 . . . . 10.0 108.875 172.383 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1903 ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -117.46 167.34 11.36 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 127.104 2.162 . . . . 10.0 110.827 170.809 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1904 ' ' GLY . . . . . . . . . . . . . . . 166.5 -170.21 40.95 Favored Glycine 0 CA--C 1.541 1.713 0 O-C-N 120.938 -1.102 . . . . 10.0 112.172 -178.076 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1905 ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -69.54 -16.8 38.69 Favored 'Trans proline' 0 CA--C 1.543 0.946 0 C-N-CA 123.554 2.836 . . . . 10.0 113.653 168.483 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1906 ' ' SER . . . . . . . . . . . . . 23.0 t -146.63 174.49 11.38 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 127.574 2.35 . . . . 10.0 110.357 -168.064 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1907 ' ' LYS . . . . . . . . . . . . . 58.3 mtmt -126.94 107.38 10.03 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.423 1.489 . . . . 10.0 111.721 -170.376 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1908 ' ' ALA . . . . . . . . . . . . . . . -69.8 160.82 31.02 Favored 'General case' 0 CA--C 1.557 1.239 0 C-N-CA 126.922 2.089 . . . . 10.0 113.741 -178.786 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1909 ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -86.23 96.84 10.07 Favored 'General case' 0 C--O 1.238 0.468 0 O-C-N 121.066 -1.021 . . . . 10.0 110.535 171.208 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1910 ' ' ILE . . . . . . . . . . . . . 58.2 mt -87.26 139.47 17.28 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 126.086 1.754 . . . . 10.0 111.035 -175.193 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1911 ' ' SER . . . . . . . . . . . . . 8.1 t -150.62 172.64 15.21 Favored 'General case' 0 CA--C 1.557 1.231 0 C-N-CA 125.784 1.633 . . . . 10.0 111.182 172.703 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1912 ' ' CYS . . . . . . . . . . . . . 30.4 p -137.78 161.45 36.54 Favored 'General case' 0 N--CA 1.479 1.007 0 O-C-N 119.797 -1.814 . . . . 10.0 112.815 -176.211 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1913 ' ' THR . . . . . . . . . . . . . 26.8 m -102.76 114.53 28.86 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.23 1.412 . . . . 10.0 111.174 -170.543 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1914 ' ' ASP . . . . . . . . . . . . . 36.5 m-20 -65.77 115.46 5.93 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 124.619 1.167 . . . . 10.0 111.84 170.399 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1915 ' ' ASN . . . . . . . . . . . . . 49.4 t-20 -147.23 142.55 27.36 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.692 1.197 . . . . 10.0 111.131 175.415 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1916 ' ' GLN . . . . . . . . . . . . . 29.9 tp60 -68.25 -12.77 61.55 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 124.939 1.296 . . . . 10.0 113.364 176.347 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1917 ' ' ASP . . . . . . . . . . . . . 20.5 t70 -72.9 -14.79 61.55 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 125.202 1.401 . . . . 10.0 113.682 178.447 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1918 ' ' GLY . . . . . . . . . . . . . . . 82.59 12.18 80.62 Favored Glycine 0 CA--C 1.534 1.232 0 C-N-CA 125.47 1.509 . . . . 10.0 115.447 171.395 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1919 ' ' THR . . . . . . . . . . . . . 61.1 p -64.39 168.69 5.44 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 125.263 1.425 . . . . 10.0 112.087 171.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1920 ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -115.81 36.2 4.11 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.761 0.824 . . . . 10.0 111.52 173.497 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1921 ' ' SER . . . . . . . . . . . . . 72.3 m -55.35 123.55 14.2 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 124.797 1.239 . . . . 10.0 111.489 -172.253 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1922 ' ' VAL . . . . . . . . . . . . . 3.4 t -125.51 135.04 65.21 Favored 'Isoleucine or valine' 0 C--O 1.24 0.605 0 C-N-CA 124.711 1.204 . . . . 10.0 112.33 -168.493 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1923 ' ' SER . . . . . . . . . . . . . 65.1 p -110.3 155.74 21.67 Favored 'General case' 0 C--O 1.242 0.671 0 C-N-CA 125.08 1.352 . . . . 10.0 111.258 169.77 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1924 ' ' TYR . . . . . . . . . . . . . 18.9 p90 -145.84 166.6 25.46 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 125.809 1.644 . . . . 10.0 110.509 173.797 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1925 ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -145.18 93.99 5.36 Favored Pre-proline 0 CA--C 1.544 0.716 0 O-C-N 120.695 -1.253 . . . . 10.0 109.166 -171.28 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1926 ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -70.18 121.24 7.85 Favored 'Trans proline' 0 C--N 1.354 0.84 0 C-N-CA 123.064 2.51 . . . . 10.0 110.982 -179.105 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1927 ' ' VAL . . . . . . . . . . . . . 26.9 m -78.32 -18.39 13.59 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 N-CA-C 113.946 1.091 . . . . 10.0 113.946 176.058 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1928 ' ' LEU . . . . . . . . . . . . . 22.6 mt -141.52 156.39 66.74 Favored Pre-proline 0 CA--C 1.551 1.0 0 C-N-CA 126.023 1.729 . . . . 10.0 111.704 179.232 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1929 ' ' PRO . . . . . . . . . . . . . 8.9 Cg_exo -62.03 159.87 32.38 Favored 'Trans proline' 0 C--N 1.357 0.974 0 C-N-CA 123.643 2.895 . . . . 10.0 113.334 174.205 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1930 ' ' GLY . . . . . . . . . . . . . . . 161.07 179.0 35.53 Favored Glycine 0 CA--C 1.534 1.26 0 N-CA-C 115.137 0.815 . . . . 10.0 115.137 174.229 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1931 ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -99.09 77.21 2.15 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 126.981 2.113 . . . . 10.0 109.679 173.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1932 ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -73.36 158.02 35.84 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.365 0.666 . . . . 10.0 110.607 -176.735 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1933 ' ' SER . . . . . . . . . . . . . 44.2 t -128.05 141.98 51.35 Favored 'General case' 0 N--CA 1.477 0.89 0 O-C-N 120.462 -1.399 . . . . 10.0 111.167 177.629 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1934 ' ' ILE . . . . . . . . . . . . . 2.2 mm -113.07 104.37 16.92 Favored 'Isoleucine or valine' 0 C--N 1.345 0.395 0 C-N-CA 125.238 1.415 . . . . 10.0 109.126 -176.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1935 ' ' LEU . . . . . . . . . . . . . 2.9 mm? -92.23 98.11 11.31 Favored 'General case' 0 C--N 1.317 -0.822 0 C-N-CA 126.131 1.772 . . . . 10.0 108.109 -176.537 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1936 ' ' VAL . . . . . . . . . . . . . 21.2 t -108.9 132.63 56.4 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.284 0 CA-C-N 118.653 0.661 . . . . 10.0 110.72 178.594 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1937 ' ' LYS . . . . . . . . . . . . . 82.9 mttt -124.78 154.67 40.58 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 128.421 2.688 . . . . 10.0 112.341 179.507 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1938 ' ' TYR . . . . . . . . . . . . . 35.2 t80 -145.44 120.57 10.13 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.241 1.417 . . . . 10.0 109.914 168.185 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1939 ' ' ASN . . . . . . . . . . . . . 1.3 t30 52.2 73.07 0.35 Allowed 'General case' 0 CA--C 1.554 1.125 0 C-N-CA 125.703 1.601 . . . . 10.0 112.359 -173.164 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1940 ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 69.86 -16.72 0.27 Allowed 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 129.816 3.246 . . . . 10.0 117.178 173.345 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1941 ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -132.77 160.62 36.31 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 125.206 1.403 . . . . 10.0 111.933 -172.285 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1942 ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -65.41 146.33 55.02 Favored 'General case' 0 C--O 1.242 0.661 0 N-CA-C 114.426 1.269 . . . . 10.0 114.426 -173.544 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1943 ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -67.79 166.41 23.23 Favored Pre-proline 0 N--CA 1.474 0.752 0 C-N-CA 128.609 2.763 . . . . 10.0 112.923 -177.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1944 ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -57.91 108.67 0.4 Allowed 'Trans proline' 0 CA--C 1.549 1.225 0 C-N-CA 124.472 3.448 . . . . 10.0 111.563 177.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1945 ' ' GLY . . . . . . . . . . . . . . . 92.27 -5.54 78.05 Favored Glycine 0 CA--C 1.546 2.023 0 C-N-CA 126.304 1.907 . . . . 10.0 116.4 -179.586 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1946 ' ' SER . . . . . . . . . . . . . 2.0 m -67.87 161.83 63.69 Favored Pre-proline 0 CA--C 1.543 0.677 0 CA-C-N 119.325 1.563 . . . . 10.0 112.571 176.733 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1947 ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -73.6 170.48 70.13 Favored 'Cis proline' 0 C--N 1.357 0.979 0 C-N-CA 125.506 -0.623 . . . . 10.0 113.1 -10.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1948 ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -111.27 164.56 12.77 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.058 0.943 . . . . 10.0 111.424 175.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1949 ' ' THR . . . . . . . . . . . . . 86.6 m -141.29 126.65 18.69 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 125.304 1.442 . . . . 10.0 109.922 -179.331 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1950 ' ' ALA . . . . . . . . . . . . . . . -125.65 114.03 18.15 Favored 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 125.902 1.681 . . . . 10.0 111.5 -171.299 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1951 ' ' ARG . . . . . . . . . . . . . 18.9 ttp-105 -80.31 94.65 6.15 Favored 'General case' 0 N--CA 1.482 1.148 0 CA-C-O 122.953 1.359 . . . . 10.0 112.055 176.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1952 ' ' VAL . . . . . . . . . . . . . 2.8 t -59.0 109.77 0.41 Allowed 'Isoleucine or valine' 0 C--O 1.242 0.706 0 C-N-CA 125.684 1.594 . . . . 10.0 110.793 166.616 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1953 ' ' THR . . . . . . . . . . . . . 33.9 p -58.15 -68.92 0.2 Allowed 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 126.068 1.747 . . . . 10.0 114.555 -168.85 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1954 ' ' GLY . . . . . . . . . . . . . . . 90.03 148.84 20.67 Favored Glycine 0 CA--C 1.529 0.925 0 C-N-CA 127.505 2.479 . . . . 10.0 114.956 -179.214 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1955 ' ' ASP . . . . . . . . . . . . . 27.1 t70 -82.11 -20.0 38.97 Favored 'General case' 0 CA--C 1.552 1.028 0 C-N-CA 124.36 1.064 . . . . 10.0 112.331 179.675 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1956 ' ' ASP . . . . . . . . . . . . . 35.2 t70 . . . . . 0 C--O 1.259 1.564 0 C-N-CA 124.999 1.32 . . . . 10.0 112.628 -176.999 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A 1868 ' ' VAL . . . . . . . . . . . . . 9.1 p . . . . . 0 N--CA 1.479 1.004 0 CA-C-O 121.938 0.875 . . . . 10.0 112.95 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A 1869 ' ' THR . . . . . . . . . . . . . 5.7 m -161.49 138.76 8.78 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 128.582 2.753 . . . . 10.0 108.62 171.525 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1870 ' ' ALA . . . . . . . . . . . . . . . -74.41 146.76 42.65 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 113.095 0.776 . . . . 10.0 113.095 -178.162 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1871 ' ' TYR . . . . . . . . . . . . . 26.8 p90 -153.53 147.64 25.66 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.69 1.596 . . . . 10.0 112.128 172.595 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1872 ' ' GLY . . . . . . . . . . . . . . . 156.21 172.47 23.66 Favored Glycine 0 CA--C 1.534 1.276 0 C-N-CA 124.261 0.934 . . . . 10.0 114.149 -176.751 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1873 ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -70.36 -35.69 10.48 Favored 'Trans proline' 0 N--CA 1.471 0.192 0 C-N-CA 122.597 2.198 . . . . 10.0 112.988 -171.201 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1874 ' ' GLY . . . . . . . . . . . . . . . -68.24 -22.8 74.7 Favored Glycine 0 C--N 1.356 1.683 0 O-C-N 120.775 -1.203 . . . . 10.0 115.046 -174.818 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1875 ' ' LEU . . . . . . . . . . . . . 50.1 mt -71.35 -15.33 62.38 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 114.121 1.156 . . . . 10.0 114.121 -174.1 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1876 ' ' THR . . . . . . . . . . . . . 42.1 p -114.14 -45.23 3.07 Favored 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 124.797 1.239 . . . . 10.0 111.295 177.765 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1877 ' ' HIS . . . . . . . . . . . . . 47.9 m80 -134.14 113.94 12.59 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 124.422 1.089 . . . . 10.0 110.53 -178.508 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1878 ' ' GLY . . . . . . . . . . . . . . . -83.01 -178.27 52.29 Favored Glycine 0 CA--C 1.552 2.365 0 C-N-CA 125.254 1.407 . . . . 10.0 112.749 173.321 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1879 ' ' VAL . . . . . . . . . . . . . 21.7 t -145.39 103.25 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 N-CA-C 106.306 -1.738 . . . . 10.0 106.306 177.278 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1880 ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -65.74 142.04 17.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 C-N-CA 119.568 -0.853 . . . . 10.0 111.372 -169.881 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1881 ' ' ASN . . . . . . . . . . . . . 35.2 m120 62.45 10.39 3.95 Favored 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 126.017 1.727 . . . . 10.0 115.578 -173.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1882 ' ' LYS . . . . . 0.403 ' HA ' ' HD3' ' A' 1883 ' ' PRO . 0.4 OUTLIER -128.12 141.54 41.61 Favored Pre-proline 0 N--CA 1.494 1.758 0 CA-C-N 120.533 1.515 . . . . 10.0 111.322 169.886 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A 1883 ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' 1882 ' ' LYS . 81.4 Cg_exo -51.74 121.77 9.22 Favored 'Trans proline' 0 CA--C 1.535 0.553 0 C-N-CA 123.74 2.96 . . . . 10.0 114.196 -175.286 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1884 ' ' ALA . . . . . . . . . . . . . . . -93.94 155.32 17.22 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 125.744 1.617 . . . . 10.0 111.003 169.519 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1885 ' ' THR . . . . . . . . . . . . . 37.4 p -149.89 150.57 32.12 Favored 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 114.239 1.199 . . . . 10.0 114.239 -169.05 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1886 ' ' PHE . . . . . . . . . . . . . 37.3 p90 -151.76 174.86 13.02 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 126.156 1.783 . . . . 10.0 111.421 168.047 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1887 ' ' THR . . . . . . . . . . . . . 94.6 m -126.69 145.01 50.75 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 126.81 2.044 . . . . 10.0 111.438 175.707 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1888 ' ' VAL . . . . . 0.899 HG12 ' HB3' ' A' 1920 ' ' CYS 0.398 2.5 p -136.72 94.17 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 CA-C-O 122.758 1.266 . . . . 10.0 112.411 177.592 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A 1889 ' ' ASN . . . . . . . . . . . . . 2.2 t30 -68.97 102.45 1.6 Allowed 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 128.133 2.573 . . . . 10.0 110.531 -177.584 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 26.4 p -77.08 8.51 3.82 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 115.881 1.808 . . . . 10.0 115.881 179.752 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1891 ' ' LYS . . . . . . . . . . . . . 89.8 mttt -60.95 150.38 33.52 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-N 120.471 1.487 . . . . 10.0 112.027 179.319 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 18.2 t70 60.84 -8.59 0.07 Allowed 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 129.446 3.098 . . . . 10.0 116.139 179.512 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1893 ' ' ALA . . . . . . . . . . . . . . . -65.66 -24.16 66.96 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 127.279 2.232 . . . . 10.0 115.405 179.001 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.457 0 C-N-CA 125.525 1.536 . . . . 10.0 111.592 -171.313 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A 1898 ' ' LEU . . . . . . . . . . . . . 5.6 tt . . . . . 0 CA--C 1.551 0.983 0 CA-C-O 121.349 0.595 . . . . 10.0 110.39 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A 1899 ' ' SER . . . . . . . . . . . . . 39.2 m -135.5 153.19 51.81 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 126.52 1.928 . . . . 10.0 112.103 -179.702 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1900 ' ' LEU . . . . . 0.724 HD11 HG21 ' A' 1922 ' ' VAL . 67.2 mt -124.78 161.23 26.89 Favored 'General case' 0 C--O 1.239 0.51 0 N-CA-C 114.236 1.198 . . . . 10.0 114.236 175.153 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1901 ' ' ALA . . . . . . . . . . . . . . . -151.37 162.14 41.45 Favored 'General case' 0 CA--C 1.557 1.219 0 C-N-CA 126.469 1.907 . . . . 10.0 108.94 164.25 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1902 ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -131.1 140.76 47.79 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.096 0 C-N-CA 124.61 1.164 . . . . 10.0 109.714 174.868 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1903 ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -122.68 168.13 12.58 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 126.81 2.044 . . . . 10.0 110.359 170.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1904 ' ' GLY . . . . . . . . . . . . . . . 155.13 -161.46 30.41 Favored Glycine 0 CA--C 1.541 1.714 0 C-N-CA 125.329 1.443 . . . . 10.0 112.606 -173.811 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1905 ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -71.38 -20.69 27.33 Favored 'Trans proline' 0 CA--C 1.545 1.03 0 CA-C-N 119.646 1.723 . . . . 10.0 112.126 170.828 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1906 ' ' SER . . . . . . . . . . . . . 8.5 t -155.98 -176.54 6.01 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 129.926 3.29 . . . . 10.0 108.013 -168.149 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1907 ' ' LYS . . . . . . . . . . . . . 56.1 mttm -134.11 173.46 11.57 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 125.56 1.544 . . . . 10.0 112.636 -173.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1908 ' ' ALA . . . . . . . . . . . . . . . -133.33 153.91 51.17 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 126.32 1.848 . . . . 10.0 112.547 -173.408 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1909 ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -75.9 89.03 2.91 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.492 0.717 . . . . 10.0 111.571 176.244 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1910 ' ' ILE . . . . . . . . . . . . . 32.8 mt -64.46 113.14 1.65 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 123.714 0.806 . . . . 10.0 111.315 177.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1911 ' ' SER . . . . . . . . . . . . . 71.0 m -130.95 92.48 3.23 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.887 1.675 . . . . 10.0 112.128 173.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1912 ' ' CYS . . . . . . . . . . . . . 34.6 m -63.83 159.29 19.87 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 124.88 1.272 . . . . 10.0 111.103 168.158 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1913 ' ' THR . . . . . 0.502 ' HB ' ' HB3' ' A' 1921 ' ' SER . 22.3 m -132.55 93.16 3.18 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 121.522 -0.736 . . . . 10.0 109.486 167.8 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1914 ' ' ASP . . . . . . . . . . . . . 28.0 t70 -54.36 126.28 22.67 Favored 'General case' 0 CA--C 1.554 1.096 0 C-N-CA 126.467 1.907 . . . . 10.0 112.289 -178.834 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1915 ' ' ASN . . . . . . . . . . . . . 63.3 t-20 -136.28 130.98 33.83 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 125.914 1.686 . . . . 10.0 109.535 177.596 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1916 ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -60.94 -9.5 4.33 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 114.364 1.246 . . . . 10.0 114.364 174.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1917 ' ' ASP . . . . . . . . . . . . . 24.9 t70 -70.17 -10.68 59.58 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 124.797 1.239 . . . . 10.0 112.261 169.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1918 ' ' GLY . . . . . . . . . . . . . . . 88.9 38.1 7.03 Favored Glycine 0 CA--C 1.536 1.386 0 C-N-CA 126.037 1.78 . . . . 10.0 114.559 176.225 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1919 ' ' THR . . . . . . . . . . . . . 75.2 p -126.68 144.99 50.75 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 125.235 1.414 . . . . 10.0 113.146 -175.041 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1920 ' ' CYS . . . . . 0.899 ' HB3' HG12 ' A' 1888 ' ' VAL . 9.7 p -79.15 -24.18 43.48 Favored 'General case' 0 N--CA 1.483 1.177 0 N-CA-C 115.724 1.75 . . . . 10.0 115.724 -175.023 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1921 ' ' SER . . . . . 0.502 ' HB3' ' HB ' ' A' 1913 ' ' THR . 22.9 t 22.63 58.0 0.03 OUTLIER 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 130.586 3.555 . . . . 10.0 112.416 -164.661 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1922 ' ' VAL . . . . . 0.724 HG21 HD11 ' A' 1900 ' ' LEU . 75.6 t -78.06 103.83 5.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 125.819 1.648 . . . . 10.0 109.932 -175.811 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1923 ' ' SER . . . . . . . . . . . . . 74.4 m -96.21 111.52 23.55 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.472 1.109 . . . . 10.0 109.294 168.795 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1924 ' ' TYR . . . . . . . . . . . . . 13.8 p90 -120.33 163.35 17.96 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.648 1.179 . . . . 10.0 110.243 178.465 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1925 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -142.74 93.14 6.89 Favored Pre-proline 0 CA--C 1.554 1.118 0 O-C-N 121.017 -1.052 . . . . 10.0 112.683 -171.864 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1926 ' ' PRO . . . . . . . . . . . . . 86.8 Cg_endo -72.41 152.63 55.06 Favored 'Trans proline' 0 CA--C 1.536 0.6 0 C-N-CA 123.866 3.044 . . . . 10.0 111.606 176.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1927 ' ' VAL . . . . . . . . . . . . . 35.1 m -122.35 -15.55 6.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 N-CA-C 115.797 1.776 . . . . 10.0 115.797 -168.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1928 ' ' LEU . . . . . . . . . . . . . 6.0 tt -140.03 122.88 10.19 Favored Pre-proline 0 CA--C 1.549 0.906 0 C-N-CA 124.715 1.206 . . . . 10.0 112.263 179.416 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1929 ' ' PRO . . . . . . . . . . . . . 88.0 Cg_exo -46.59 127.91 12.21 Favored 'Trans proline' 0 CA--C 1.537 0.654 0 C-N-CA 125.101 3.867 . . . . 10.0 114.218 -176.159 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1930 ' ' GLY . . . . . . . . . . . . . . . 179.05 178.66 48.4 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 115.174 0.829 . . . . 10.0 115.174 -170.04 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1931 ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -95.19 106.02 18.0 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.138 1.375 . . . . 10.0 110.222 172.157 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1932 ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -101.08 105.92 17.14 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.884 1.274 . . . . 10.0 109.441 -175.552 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1933 ' ' SER . . . . . . . . . . . . . 67.5 m -79.23 117.98 20.74 Favored 'General case' 0 N--CA 1.478 0.927 0 O-C-N 121.542 -0.724 . . . . 10.0 110.875 174.526 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1934 ' ' ILE . . . . . . . . . . . . . 7.0 mm -80.52 123.8 37.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 N-CA-C 107.445 -1.317 . . . . 10.0 107.445 170.142 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1935 ' ' LEU . . . . . . . . . . . . . 3.0 mm? -97.58 91.18 5.31 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 126.063 1.745 . . . . 10.0 108.389 170.596 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1936 ' ' VAL . . . . . . . . . . . . . 37.3 t -86.61 130.85 36.08 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 N-CA-C 108.767 -0.827 . . . . 10.0 108.767 174.247 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1937 ' ' LYS . . . . . . . . . . . . . 98.4 mttt -127.92 139.47 52.58 Favored 'General case' 0 C--O 1.232 0.162 0 C-N-CA 125.261 1.424 . . . . 10.0 111.742 -176.726 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1938 ' ' TYR . . . . . . . . . . . . . 25.0 t80 -126.73 115.36 19.29 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 125.358 1.463 . . . . 10.0 109.347 171.037 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1939 ' ' ASN . . . . . . . . . . . . . 8.6 t-20 52.64 57.51 6.32 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 126.038 1.735 . . . . 10.0 112.722 -170.208 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1940 ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 63.02 -8.18 0.13 Allowed 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 128.629 2.772 . . . . 10.0 117.374 178.246 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1941 ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -101.16 144.43 30.06 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.455 1.502 . . . . 10.0 110.267 176.298 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1942 ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -68.1 148.58 50.76 Favored 'General case' 0 CA--C 1.542 0.655 0 O-C-N 121.354 -0.841 . . . . 10.0 112.306 -177.837 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1943 ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -68.45 166.98 20.85 Favored Pre-proline 0 CA--C 1.546 0.822 0 C-N-CA 126.488 1.915 . . . . 10.0 113.195 -177.242 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1944 ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -64.5 -8.14 16.31 Favored 'Trans proline' 0 C--N 1.354 0.855 1 C-N-CA 126.341 4.694 . . . . 10.0 117.616 -173.123 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1945 ' ' GLY . . . . . . . . . . . . . . . -127.13 -4.22 6.03 Favored Glycine 0 CA--C 1.534 1.267 0 C-N-CA 127.688 2.565 . . . . 10.0 115.191 178.679 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1946 ' ' SER . . . . . . . . . . . . . 5.4 m -71.07 148.76 94.45 Favored Pre-proline 0 N--CA 1.481 1.107 0 CA-C-N 119.565 1.683 . . . . 10.0 113.188 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1947 ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -74.85 161.46 94.74 Favored 'Cis proline' 0 C--N 1.363 1.301 0 CA-C-N 119.567 0.881 . . . . 10.0 111.363 -4.296 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1948 ' ' PHE . . . . . . . . . . . . . 81.0 m-85 -109.9 96.36 6.19 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 124.508 1.123 . . . . 10.0 109.162 173.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1949 ' ' THR . . . . . . . . . . . . . 17.6 m -79.22 86.77 4.97 Favored 'General case' 0 C--O 1.241 0.643 0 C-N-CA 125.765 1.626 . . . . 10.0 110.527 -175.668 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1950 ' ' ALA . . . . . . . . . . . . . . . -75.3 152.06 38.25 Favored 'General case' 0 N--CA 1.446 -0.643 0 C-N-CA 123.866 0.867 . . . . 10.0 111.005 173.726 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1951 ' ' ARG . . . . . . . . . . . . . 53.6 ttt85 -122.79 96.52 5.05 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-O 121.963 0.887 . . . . 10.0 111.5 173.517 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1952 ' ' VAL . . . . . . . . . . . . . 6.2 t -67.11 106.66 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.314 -0.952 0 C-N-CA 131.08 3.752 . . . . 10.0 111.714 176.101 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1953 ' ' THR . . . . . . . . . . . . . 68.1 p -80.01 153.89 28.55 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 124.498 1.119 . . . . 10.0 111.845 -178.582 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1954 ' ' GLY . . . . . . . . . . . . . . . -82.8 46.9 3.69 Favored Glycine 0 N--CA 1.468 0.784 0 C-N-CA 126.704 2.097 . . . . 10.0 113.156 -178.44 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1955 ' ' ASP . . . . . . . . . . . . . 27.0 t70 -63.62 -32.6 74.12 Favored 'General case' 0 N--CA 1.48 1.07 0 O-C-N 121.277 -1.131 . . . . 10.0 113.94 -175.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1956 ' ' ASP . . . . . . . . . . . . . 33.6 t70 . . . . . 0 C--O 1.253 1.283 0 C-N-CA 126.131 1.773 . . . . 10.0 113.141 -179.269 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A 1868 ' ' VAL . . . . . . . . . . . . 0.285 8.9 p . . . . . 0 CA--C 1.554 1.128 0 N-CA-C 115.016 1.487 . . . . 10.0 115.016 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1869 ' ' THR . . . . . . . . . . . . . 3.3 m -143.2 133.41 24.49 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 125.494 1.518 . . . . 10.0 107.477 172.778 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1870 ' ' ALA . . . . . . . . . . . . . . . -72.13 155.57 40.12 Favored 'General case' 0 CA--C 1.549 0.904 0 CA-C-O 122.184 0.993 . . . . 10.0 112.012 -176.147 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1871 ' ' TYR . . . . . . . . . . . . . 20.2 p90 -148.74 152.41 36.55 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 126.816 2.046 . . . . 10.0 110.98 175.523 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1872 ' ' GLY . . . . . . . . . . . . . . . 142.44 168.71 11.89 Favored Glycine 0 N--CA 1.474 1.209 0 C-N-CA 125.214 1.388 . . . . 10.0 112.629 -176.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1873 ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo -70.55 -29.58 19.87 Favored 'Trans proline' 0 C--N 1.35 0.657 0 C-N-CA 123.1 2.533 . . . . 10.0 113.57 -178.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1874 ' ' GLY . . . . . . . . . . . . . . . -66.01 -12.9 58.68 Favored Glycine 0 C--N 1.35 1.333 0 N-CA-C 116.396 1.318 . . . . 10.0 116.396 -176.336 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1875 ' ' LEU . . . . . . . . . . . . . 18.7 mt -87.45 -14.91 39.19 Favored 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 113.286 0.847 . . . . 10.0 113.286 177.602 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1876 ' ' THR . . . . . . . . . . . . . 42.2 p -127.72 -31.4 2.45 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 125.173 1.389 . . . . 10.0 113.258 -174.257 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1877 ' ' HIS . . . . . . . . . . . . . 27.1 m-70 -138.06 -178.58 5.33 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 127.045 2.138 . . . . 10.0 111.691 173.8 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1878 ' ' GLY . . . . . . . . . . . . . . . -166.7 175.31 42.05 Favored Glycine 0 CA--C 1.537 1.444 0 C-N-CA 124.406 1.003 . . . . 10.0 112.78 179.664 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1879 ' ' VAL . . . . . . . . . . . . . 9.1 t -133.23 117.64 29.24 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 124.708 1.203 . . . . 10.0 110.073 172.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1880 ' ' VAL . . . . . 0.434 HG23 HG12 ' A' 1952 ' ' VAL . 72.8 t -61.39 135.95 25.48 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.25 0 C-N-CA 123.779 0.832 . . . . 10.0 110.123 179.57 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1881 ' ' ASN . . . . . . . . . . . . . 80.1 m-20 54.34 21.43 3.18 Favored 'General case' 0 CA--C 1.553 1.075 0 N-CA-C 116.568 2.062 . . . . 10.0 116.568 -176.624 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1882 ' ' LYS . . . . . . . . . . . . . 14.8 tppt? -135.09 144.22 49.24 Favored Pre-proline 0 CA--C 1.549 0.909 0 C-N-CA 125.103 1.361 . . . . 10.0 109.433 168.36 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1883 ' ' PRO . . . . . . . . . . . . . 67.7 Cg_exo -56.67 135.64 71.64 Favored 'Trans proline' 0 CA--C 1.54 0.776 0 C-N-CA 123.506 2.804 . . . . 10.0 114.48 -168.803 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1884 ' ' ALA . . . . . . . . . . . . . . . -111.45 145.61 38.67 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.048 1.339 . . . . 10.0 111.204 172.011 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1885 ' ' THR . . . . . . . . . . . . . 71.1 p -148.99 159.3 44.34 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 125.639 1.576 . . . . 10.0 113.94 -170.251 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1886 ' ' PHE . . . . . . . . . . . . . 31.9 p90 -154.93 175.85 13.26 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 126.824 2.05 . . . . 10.0 111.896 167.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1887 ' ' THR . . . . . . . . . . . . . 55.4 m -134.1 145.54 49.44 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 127.386 2.274 . . . . 10.0 109.421 -174.316 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1888 ' ' VAL . . . . . 0.458 HG12 ' CB ' ' A' 1920 ' ' CYS . 10.2 p -149.49 86.33 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 CA-C-N 120.298 1.408 . . . . 10.0 114.329 -179.143 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1889 ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -84.0 111.39 19.24 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.536 1.134 . . . . 10.0 113.597 -169.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 22.9 p -90.57 98.02 11.53 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 126.647 1.979 . . . . 10.0 111.115 -178.267 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1891 ' ' LYS . . . . . . . . . . . . . 5.4 mtpm? -91.66 -85.96 0.23 Allowed 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 126.173 1.789 . . . . 10.0 111.322 -178.663 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 33.4 t70 -75.57 -31.82 60.14 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.562 1.145 . . . . 10.0 113.516 -171.051 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1893 ' ' ALA . . . . . . . . . . . . . . . -70.24 -27.28 64.33 Favored 'General case' 0 CA--C 1.55 0.977 0 N-CA-C 114.849 1.426 . . . . 10.0 114.849 -170.171 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.8 0 C-N-CA 124.724 1.154 . . . . 10.0 112.845 -175.321 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A 1898 ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.474 0.752 0 N-CA-C 113.611 0.967 . . . . 10.0 113.611 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1899 ' ' SER . . . . . . . . . . . . . 4.9 t -154.74 165.53 36.3 Favored 'General case' 0 N--CA 1.476 0.855 0 O-C-N 120.812 -1.18 . . . . 10.0 111.995 176.36 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1900 ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -160.76 168.21 25.27 Favored 'General case' 0 N--CA 1.441 -0.918 0 C-N-CA 124.101 0.96 . . . . 10.0 113.531 -167.176 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1901 ' ' ALA . . . . . . . . . . . . . . . -150.59 167.56 26.91 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 126.023 1.729 . . . . 10.0 111.012 169.178 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1902 ' ' ILE . . . . . . . . . . . . . 3.6 mp -123.01 125.88 72.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 C-N-CA 126.011 1.724 . . . . 10.0 108.931 172.214 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1903 ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -123.35 175.68 6.58 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 127.297 2.239 . . . . 10.0 110.888 173.746 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1904 ' ' GLY . . . . . . . . . . . . . . . 166.25 -154.99 25.92 Favored Glycine 0 CA--C 1.542 1.758 0 O-C-N 120.944 -1.097 . . . . 10.0 111.041 -176.775 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1905 ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -71.33 -13.41 30.66 Favored 'Trans proline' 0 CA--C 1.537 0.63 0 C-N-CA 122.359 2.039 . . . . 10.0 113.028 170.142 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1906 ' ' SER . . . . . . . . . . . . . 14.4 t -153.24 170.62 20.14 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 128.699 2.8 . . . . 10.0 109.635 -169.733 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1907 ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -91.55 166.28 12.91 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-O 122.056 0.931 . . . . 10.0 112.026 176.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1908 ' ' ALA . . . . . . . . . . . . . . . -139.27 119.98 14.21 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 126.002 1.721 . . . . 10.0 108.62 172.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1909 ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -62.76 122.99 17.27 Favored 'General case' 0 N--CA 1.468 0.465 0 O-C-N 120.792 -1.192 . . . . 10.0 110.361 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1910 ' ' ILE . . . . . . . . . . . . . 47.2 mt -100.13 133.85 41.74 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 C-N-CA 124.471 1.108 . . . . 10.0 111.019 -173.38 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1911 ' ' SER . . . . . . . . . . . . . 38.9 m -125.29 157.92 35.44 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 126.331 1.852 . . . . 10.0 112.418 170.456 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1912 ' ' CYS . . . . . . . . . . . . . 29.9 p -141.8 179.41 6.87 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 127.187 2.195 . . . . 10.0 110.709 176.649 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1913 ' ' THR . . . . . . . . . . . . . 30.1 m -136.95 156.98 47.76 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 127.066 2.146 . . . . 10.0 110.668 179.355 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1914 ' ' ASP . . . . . . . . . . . . . 8.5 t70 -60.1 104.29 0.3 Allowed 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 124.359 1.063 . . . . 10.0 110.324 175.473 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1915 ' ' ASN . . . . . . . . . . . . . 18.8 p-10 -75.51 54.69 0.77 Allowed 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 127.495 2.318 . . . . 10.0 115.255 -167.645 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1916 ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -60.38 -18.39 50.04 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 124.968 1.307 . . . . 10.0 114.354 171.777 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1917 ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -93.93 2.03 56.2 Favored 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 126.326 1.851 . . . . 10.0 113.538 178.534 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1918 ' ' GLY . . . . . . . . . . . . . . . 71.53 34.69 63.21 Favored Glycine 0 CA--C 1.537 1.411 0 CA-C-N 119.448 1.022 . . . . 10.0 114.113 172.795 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1919 ' ' THR . . . . . . . . . . . . . 10.0 t -152.06 154.33 35.73 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.235 1.414 . . . . 10.0 112.318 179.514 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1920 ' ' CYS . . . . . 0.458 ' CB ' HG12 ' A' 1888 ' ' VAL . 0.5 OUTLIER -82.88 105.55 13.99 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 119.135 0.879 . . . . 10.0 111.497 179.732 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A 1921 ' ' SER . . . . . . . . . . . . . 68.6 m -79.06 59.5 2.71 Favored 'General case' 0 CA--C 1.551 0.992 0 CA-C-O 122.684 1.23 . . . . 10.0 111.843 177.429 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1922 ' ' VAL . . . . . . . . . . . . . 41.8 t -74.56 119.75 22.59 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 125.552 1.541 . . . . 10.0 111.493 -173.103 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1923 ' ' SER . . . . . . . . . . . . . 50.6 m -127.08 131.72 50.81 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 124.897 1.279 . . . . 10.0 110.571 176.004 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1924 ' ' TYR . . . . . . . . . . . . . 18.7 p90 -145.88 176.33 9.76 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.406 1.082 . . . . 10.0 111.169 -178.802 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1925 ' ' LEU . . . . . . . . . . . . . 1.3 mt -142.71 101.01 5.49 Favored Pre-proline 0 CA--C 1.557 1.219 0 C-N-CA 124.264 1.026 . . . . 10.0 109.789 -174.456 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1926 ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -70.86 132.17 21.06 Favored 'Trans proline' 0 C--N 1.353 0.78 0 C-N-CA 122.938 2.425 . . . . 10.0 111.741 174.139 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1927 ' ' VAL . . . . . . . . . . . . . 28.3 m -94.83 -17.17 7.18 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.392 0 N-CA-C 113.315 0.857 . . . . 10.0 113.315 -172.743 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1928 ' ' LEU . . . . . . . . . . . . . 15.8 mt -142.3 160.61 54.05 Favored Pre-proline 0 CA--C 1.547 0.836 0 C-N-CA 126.6 1.96 . . . . 10.0 111.101 172.65 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1929 ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -71.48 154.76 60.38 Favored 'Trans proline' 0 C--N 1.351 0.689 0 C-N-CA 124.079 3.186 . . . . 10.0 111.419 177.067 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1930 ' ' GLY . . . . . . . . . . . . . . . 167.53 179.14 40.14 Favored Glycine 0 CA--C 1.537 1.427 0 N-CA-C 116.288 1.275 . . . . 10.0 116.288 -175.762 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1931 ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -90.67 87.63 6.78 Favored 'General case' 0 C--O 1.245 0.833 0 C-N-CA 128.283 2.633 . . . . 10.0 108.602 171.068 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1932 ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -86.72 116.08 24.59 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 120.953 -1.092 . . . . 10.0 112.093 -174.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1933 ' ' SER . . . . . . . . . . . . . 61.6 m -78.39 128.5 33.73 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 123.73 0.812 . . . . 10.0 111.508 174.068 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1934 ' ' ILE . . . . . . . . . . . . . 7.8 mm -99.5 120.2 48.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 C-N-CA 126.49 1.916 . . . . 10.0 107.147 167.84 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1935 ' ' LEU . . . . . . . . . . . . . 2.6 mm? -106.74 66.54 0.69 Allowed 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 125.315 1.446 . . . . 10.0 110.172 -172.374 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1936 ' ' VAL . . . . . . . . . . . . . 59.7 t -74.53 133.53 31.35 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 O-C-N 121.142 -0.974 . . . . 10.0 111.746 177.123 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1937 ' ' LYS . . . . . . . . . . . . . 67.7 mttm -125.5 151.82 45.8 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 128.314 2.646 . . . . 10.0 113.402 177.68 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1938 ' ' TYR . . . . . . . . . . . . . 4.4 t80 -128.25 95.92 4.3 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 125.541 1.536 . . . . 10.0 109.709 169.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1939 ' ' ASN . . . . . . . . . . . . . 2.5 t30 52.51 78.4 0.13 Allowed 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 127.2 2.2 . . . . 10.0 112.648 -170.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1940 ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 70.78 -15.11 0.4 Allowed 'General case' 0 C--O 1.251 1.183 0 C-N-CA 129.764 3.226 . . . . 10.0 117.444 172.514 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1941 ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -118.76 147.26 44.06 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 125.949 1.7 . . . . 10.0 110.668 -177.671 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1942 ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -65.02 153.12 41.63 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-O 121.93 0.871 . . . . 10.0 113.289 -174.821 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1943 ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -71.29 167.38 30.24 Favored Pre-proline 0 CA--C 1.556 1.177 0 C-N-CA 126.492 1.917 . . . . 10.0 112.433 179.084 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1944 ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -61.67 97.19 0.14 Allowed 'Trans proline' 0 CA--C 1.536 0.617 0 C-N-CA 123.998 3.132 . . . . 10.0 112.504 -178.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1945 ' ' GLY . . . . . . . . . . . . . . . 98.88 -6.42 60.25 Favored Glycine 0 CA--C 1.539 1.583 0 CA-C-O 117.662 -1.632 . . . . 10.0 116.754 -176.573 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1946 ' ' SER . . . . . . . . . . . . . 39.3 m -70.04 156.09 92.37 Favored Pre-proline 0 CA--C 1.549 0.942 0 CA-C-N 119.836 1.818 . . . . 10.0 110.821 173.008 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1947 ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo -73.69 165.83 83.72 Favored 'Cis proline' 0 C--N 1.353 0.801 0 N-CA-C 114.545 0.941 . . . . 10.0 114.545 -2.808 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1948 ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -114.49 117.33 30.67 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 126.02 1.728 . . . . 10.0 111.808 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1949 ' ' THR . . . . . . . . . . . . . 46.5 m -92.24 97.32 10.82 Favored 'General case' 0 N--CA 1.481 1.121 0 O-C-N 120.812 -1.18 . . . . 10.0 112.177 -179.514 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1950 ' ' ALA . . . . . . . . . . . . . . . -83.36 152.96 24.82 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 124.501 1.12 . . . . 10.0 113.763 178.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1951 ' ' ARG . . . . . . . . . . . . . 40.9 mtt180 -123.65 83.44 2.14 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-O 123.32 1.534 . . . . 10.0 113.906 -177.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1952 ' ' VAL . . . . . 0.434 HG12 HG23 ' A' 1880 ' ' VAL . 2.8 t -60.53 100.72 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.728 0 C-N-CA 130.046 3.338 . . . . 10.0 112.368 175.296 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1953 ' ' THR . . . . . . . . . . . . . 26.0 m -67.25 132.79 48.45 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.757 1.623 . . . . 10.0 110.815 175.609 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1954 ' ' GLY . . . . . . . . . . . . . . . -67.03 169.16 35.89 Favored Glycine 0 CA--C 1.542 1.73 0 N-CA-C 115.941 1.136 . . . . 10.0 115.941 -179.254 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1955 ' ' ASP . . . . . . . . . . . . . 32.8 t70 -139.79 -31.89 0.65 Allowed 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.453 1.501 . . . . 10.0 112.145 176.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1956 ' ' ASP . . . . . . . . . . . . . 6.2 p-10 . . . . . 0 C--O 1.252 1.193 0 C-N-CA 126.98 2.112 . . . . 10.0 114.026 179.952 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A 1868 ' ' VAL . . . . . . . . . . . . . 6.0 p . . . . . 0 N--CA 1.476 0.845 0 CA-C-O 121.431 0.634 . . . . 10.0 112.159 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A 1869 ' ' THR . . . . . . . . . . . . . 6.4 m -123.91 141.47 52.0 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 124.288 1.035 . . . . 10.0 109.133 -176.139 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1870 ' ' ALA . . . . . . . . . . . . . . . -122.43 127.13 49.27 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.204 1.001 . . . . 10.0 110.9 172.207 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1871 ' ' TYR . . . . . . . . . . . . . 39.1 p90 -156.05 174.49 15.28 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 126.559 1.943 . . . . 10.0 109.774 -171.127 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1872 ' ' GLY . . . . . . . . . . . . . . . 119.73 169.45 14.17 Favored Glycine 0 CA--C 1.536 1.385 0 O-C-N 121.051 -1.031 . . . . 10.0 114.57 174.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1873 ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -66.44 -29.62 44.98 Favored 'Trans proline' 0 CA--C 1.536 0.612 0 C-N-CA 122.754 2.303 . . . . 10.0 112.461 -173.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1874 ' ' GLY . . . . . . . . . . . . . . . -66.23 -0.73 8.1 Favored Glycine 0 N--CA 1.473 1.128 0 CA-C-O 118.716 -1.047 . . . . 10.0 115.399 175.604 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1875 ' ' LEU . . . . . . . . . . . . . 21.0 mt -107.65 -2.74 19.9 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-N 119.251 1.525 . . . . 10.0 113.74 171.308 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1876 ' ' THR . . . . . . . . . . . . . 60.2 p -134.13 -15.92 2.22 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 125.676 1.59 . . . . 10.0 114.551 -178.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1877 ' ' HIS . . . . . . . . . . . . . 2.7 t-80 -148.2 177.13 9.66 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 127.784 2.434 . . . . 10.0 112.697 178.801 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1878 ' ' GLY . . . . . . . . . . . . . . . -169.08 169.38 41.85 Favored Glycine 0 CA--C 1.54 1.633 0 C-N-CA 125.575 1.56 . . . . 10.0 113.417 179.645 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1879 ' ' VAL . . . . . . . . . . . . . 11.9 t -130.84 121.25 49.59 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 C-N-CA 125.61 1.564 . . . . 10.0 111.126 174.377 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1880 ' ' VAL . . . . . . . . . . . . . 28.6 t -69.12 133.68 31.46 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.385 0 O-C-N 120.687 -1.258 . . . . 10.0 111.036 178.722 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1881 ' ' ASN . . . . . . . . . . . . . 78.7 m-20 65.13 7.65 4.26 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 127.785 2.434 . . . . 10.0 116.086 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1882 ' ' LYS . . . . . 0.412 ' HA ' ' HD3' ' A' 1883 ' ' PRO . 5.0 tmmm? -133.92 139.74 34.29 Favored Pre-proline 0 N--CA 1.484 1.255 0 CA-C-N 120.576 1.535 . . . . 10.0 111.715 169.285 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1883 ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' 1882 ' ' LYS . 73.8 Cg_exo -54.04 145.73 51.44 Favored 'Trans proline' 0 C--O 1.238 0.485 0 C-N-CA 123.502 2.801 . . . . 10.0 115.243 -169.845 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1884 ' ' ALA . . . . . . . . . . . . . . . -128.17 158.03 39.19 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 125.061 1.345 . . . . 10.0 111.251 174.103 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1885 ' ' THR . . . . . . . . . . . . . 74.5 p -143.25 157.68 44.28 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.828 1.251 . . . . 10.0 114.282 -172.006 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1886 ' ' PHE . . . . . . . . . . . . . 43.6 p90 -150.96 169.7 21.13 Favored 'General case' 0 CA--C 1.556 1.175 0 C-N-CA 124.018 0.927 . . . . 10.0 112.424 169.712 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1887 ' ' THR . . . . . . . . . . . . . 16.5 m -111.81 146.55 37.44 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.329 1.451 . . . . 10.0 110.967 -169.248 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1888 ' ' VAL . . . . . . . . . . . . . 2.4 m -150.14 42.04 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.164 0 C-N-CA 126.826 2.051 . . . . 10.0 110.981 -168.032 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1889 ' ' ASN . . . . . . . . . . . . . 60.8 t-20 -48.32 104.97 0.07 Allowed 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 128.326 2.65 . . . . 10.0 112.75 -176.629 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 1.1 p -76.24 58.78 1.3 Allowed 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 128.727 2.811 . . . . 10.0 114.175 -172.577 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1891 ' ' LYS . . . . . . . . . . . . . 36.6 mtpt -65.47 109.63 2.39 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 127.477 2.311 . . . . 10.0 110.559 179.127 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 25.8 t70 50.51 28.64 3.5 Favored 'General case' 0 CA--C 1.555 1.166 0 C-N-CA 127.033 2.133 . . . . 10.0 113.596 -177.176 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1893 ' ' ALA . . . . . . . . . . . . . . . -72.35 -40.24 67.5 Favored 'General case' 0 CA--C 1.55 0.97 0 N-CA-C 115.252 1.575 . . . . 10.0 115.252 -168.516 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.239 0 C-N-CA 124.72 1.152 . . . . 10.0 113.308 -170.299 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A 1898 ' ' LEU . . . . . 0.407 ' HB3' ' CD2' ' A' 1938 ' ' TYR . 0.0 OUTLIER . . . . . 0 CA--C 1.541 0.622 0 N-CA-C 113.806 1.039 . . . . 10.0 113.806 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1899 ' ' SER . . . . . . . . . . . . . 14.4 t -153.8 146.19 23.97 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 126.094 1.758 . . . . 10.0 111.081 175.001 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1900 ' ' LEU . . . . . 0.474 HD11 HG21 ' A' 1922 ' ' VAL . 51.2 mt -107.36 153.21 23.09 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 124.671 1.188 . . . . 10.0 113.252 173.302 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1901 ' ' ALA . . . . . . . . . . . . . . . -145.43 150.19 36.07 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 125.268 1.427 . . . . 10.0 108.269 163.443 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1902 ' ' ILE . . . . . . . . . . . . . 1.1 mp -128.25 141.05 47.54 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.59 0 C-N-CA 125.973 1.709 . . . . 10.0 109.416 174.347 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1903 ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -129.92 173.66 10.48 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 126.627 1.971 . . . . 10.0 110.278 176.713 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1904 ' ' GLY . . . . . . . . . . . . . . . 146.88 -162.49 28.55 Favored Glycine 0 CA--C 1.538 1.514 0 O-C-N 120.959 -1.088 . . . . 10.0 111.502 -170.39 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1905 ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -72.43 -15.26 27.95 Favored 'Trans proline' 0 CA--C 1.542 0.891 0 C-N-CA 123.692 2.928 . . . . 10.0 113.135 171.281 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1906 ' ' SER . . . . . . . . . . . . . 12.7 t -154.43 -179.32 7.84 Favored 'General case' 0 C--O 1.246 0.91 0 C-N-CA 126.794 2.037 . . . . 10.0 110.087 -167.735 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1907 ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -133.63 174.68 10.17 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 126.191 1.796 . . . . 10.0 111.977 -173.246 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1908 ' ' ALA . . . . . . . . . . . . . . . -148.07 158.11 43.88 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.447 1.099 . . . . 10.0 111.198 -177.826 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1909 ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -89.89 102.1 14.8 Favored 'General case' 0 CA--C 1.552 1.029 0 O-C-N 120.867 -1.145 . . . . 10.0 110.461 176.07 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1910 ' ' ILE . . . . . . . . . . . . . 83.1 mt -74.34 145.73 10.83 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 126.21 1.804 . . . . 10.0 110.643 -176.248 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1911 ' ' SER . . . . . . . . . . . . . 22.8 t -144.66 155.63 43.69 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 127.881 2.472 . . . . 10.0 110.019 170.718 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1912 ' ' CYS . . . . . . . . . . . . . 80.5 m -139.64 152.51 46.83 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 125.984 1.714 . . . . 10.0 110.692 179.268 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1913 ' ' THR . . . . . . . . . . . . . 88.6 m -135.5 114.97 12.61 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.19 0.996 . . . . 10.0 111.848 179.3 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1914 ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -67.93 88.43 0.27 Allowed 'General case' 0 C--O 1.244 0.813 0 C-N-CA 124.492 1.117 . . . . 10.0 111.288 170.502 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1915 ' ' ASN . . . . . . . . . . . . . 61.4 t30 -80.52 153.61 28.02 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.197 1.399 . . . . 10.0 110.777 -173.522 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1916 ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -61.8 -20.05 63.2 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 127.618 2.367 . . . . 10.0 114.564 175.097 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1917 ' ' ASP . . . . . . . . . . . . . 19.3 t70 -88.37 -2.41 58.58 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 121.245 -0.909 . . . . 10.0 112.617 179.228 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1918 ' ' GLY . . . . . . . . . . . . . . . 95.71 30.31 8.11 Favored Glycine 0 CA--C 1.535 1.283 0 N-CA-C 116.097 1.199 . . . . 10.0 116.097 173.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1919 ' ' THR . . . . . . . . . . . . . 8.6 t -132.0 158.21 42.08 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 125.816 1.646 . . . . 10.0 111.997 178.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1920 ' ' CYS . . . . . . . . . . . . . 1.9 t -96.15 9.62 40.34 Favored 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 125.677 1.591 . . . . 10.0 113.818 -176.274 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1921 ' ' SER . . . . . . . . . . . . . 74.7 m 15.97 90.75 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 130.305 3.442 . . . . 10.0 116.325 175.007 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1922 ' ' VAL . . . . . 0.474 HG21 HD11 ' A' 1900 ' ' LEU . 69.4 t -84.78 142.88 12.71 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 C-N-CA 125.06 1.344 . . . . 10.0 112.079 -173.358 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1923 ' ' SER . . . . . . . . . . . . . 27.5 t -132.9 149.0 52.29 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 125.238 1.415 . . . . 10.0 111.672 169.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1924 ' ' TYR . . . . . . . . . . . . . 18.7 p90 -152.65 170.69 19.61 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 127.032 2.133 . . . . 10.0 110.136 175.74 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1925 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -149.44 95.09 3.82 Favored Pre-proline 0 CA--C 1.552 1.039 0 O-C-N 121.12 -0.987 . . . . 10.0 111.133 -175.014 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1926 ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -72.6 146.34 43.63 Favored 'Trans proline' 0 C--N 1.354 0.833 0 C-N-CA 123.067 2.512 . . . . 10.0 112.354 -179.28 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1927 ' ' VAL . . . . . . . . . . . . . 35.6 m -106.51 -9.73 10.44 Favored 'Isoleucine or valine' 0 C--O 1.243 0.744 0 C-N-CA 125.339 1.456 . . . . 10.0 114.712 -179.692 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1928 ' ' LEU . . . . . . . . . . . . . 18.3 mt -142.25 158.21 61.64 Favored Pre-proline 0 CA--C 1.553 1.06 0 C-N-CA 125.337 1.455 . . . . 10.0 112.165 169.633 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1929 ' ' PRO . . . . . . . . . . . . . 9.8 Cg_exo -61.64 163.27 18.83 Favored 'Trans proline' 0 CA--C 1.545 1.031 0 C-N-CA 123.099 2.532 . . . . 10.0 112.322 172.175 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1930 ' ' GLY . . . . . . . . . . . . . . . 156.81 178.99 31.43 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 116.085 1.194 . . . . 10.0 116.085 172.197 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1931 ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -94.81 82.59 3.9 Favored 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 126.239 1.816 . . . . 10.0 108.874 174.363 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1932 ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -78.96 103.9 9.23 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.251 1.42 . . . . 10.0 111.966 -172.504 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1933 ' ' SER . . . . . . . . . . . . . 32.2 t -63.6 142.36 58.43 Favored 'General case' 0 CA--C 1.541 0.635 0 O-C-N 120.421 -1.424 . . . . 10.0 111.038 172.199 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1934 ' ' ILE . . . . . . . . . . . . . 5.3 mm -124.13 122.68 64.9 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 126.224 1.81 . . . . 10.0 110.764 178.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1935 ' ' LEU . . . . . . . . . . . . . 2.2 mm? -115.33 78.36 1.16 Allowed 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 127.344 2.258 . . . . 10.0 109.87 -172.13 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1936 ' ' VAL . . . . . . . . . . . . . 22.1 t -81.43 104.76 10.46 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.26 0 C-N-CA 125.47 1.508 . . . . 10.0 110.04 178.853 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1937 ' ' LYS . . . . . . . . . . . . . 60.9 mttp -100.16 141.21 33.3 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 123.923 0.889 . . . . 10.0 112.013 178.193 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1938 ' ' TYR . . . . . 0.407 ' CD2' ' HB3' ' A' 1898 ' ' LEU . 1.6 t80 -136.22 113.43 10.61 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 126.503 1.921 . . . . 10.0 108.113 169.148 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1939 ' ' ASN . . . . . . . . . . . . . 1.1 t30 54.83 73.13 0.43 Allowed 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.726 1.611 . . . . 10.0 113.808 -173.091 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1940 ' ' GLU . . . . . . . . . . . . . 19.7 tt0 65.58 -6.14 0.43 Allowed 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 127.906 2.482 . . . . 10.0 115.845 170.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1941 ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -140.04 164.6 29.6 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.333 1.453 . . . . 10.0 112.531 -179.306 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1942 ' ' HIS . . . . . . . . . . . . . 34.0 m170 -70.02 149.06 48.1 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 113.695 0.998 . . . . 10.0 113.695 -175.646 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1943 ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -70.73 167.04 30.91 Favored Pre-proline 0 C--O 1.242 0.672 0 C-N-CA 126.992 2.117 . . . . 10.0 112.061 178.795 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1944 ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -59.71 111.82 1.08 Allowed 'Trans proline' 0 CA--C 1.534 0.504 1 C-N-CA 126.129 4.553 . . . . 10.0 112.474 178.816 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1945 ' ' GLY . . . . . . . . . . . . . . . 98.52 -15.31 61.24 Favored Glycine 0 N--CA 1.476 1.334 0 C-N-CA 126.154 1.835 . . . . 10.0 115.382 -179.078 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1946 ' ' SER . . . . . . . . . . . . . 12.7 m -72.83 155.77 90.4 Favored Pre-proline 0 C--O 1.249 1.07 0 CA-C-N 118.595 1.198 . . . . 10.0 113.955 173.236 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1947 ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -73.72 167.95 77.82 Favored 'Cis proline' 0 CA--C 1.538 0.688 0 CA-C-N 119.91 1.004 . . . . 10.0 114.216 -1.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1948 ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -124.01 170.39 10.69 Favored 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 126.371 1.869 . . . . 10.0 110.882 174.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1949 ' ' THR . . . . . . . . . . . . . 28.8 m -142.1 99.87 3.61 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 125.417 1.487 . . . . 10.0 110.92 176.348 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1950 ' ' ALA . . . . . . . . . . . . . . . -74.91 157.47 34.98 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.139 0.976 . . . . 10.0 113.364 175.207 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1951 ' ' ARG . . . . . . . . . . . . . 39.1 ttp180 -120.68 87.18 2.7 Favored 'General case' 0 C--N 1.348 0.501 0 C-N-CA 125.472 1.509 . . . . 10.0 113.108 177.111 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1952 ' ' VAL . . . . . . . . . . . . . 2.1 t -65.1 93.47 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 126.951 2.1 . . . . 10.0 108.771 169.645 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1953 ' ' THR . . . . . . . . . . . . . 11.3 t -68.69 -32.24 71.91 Favored 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 115.88 1.807 . . . . 10.0 115.88 -167.519 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1954 ' ' GLY . . . . . . . . . . . . . . . 66.82 -174.27 25.29 Favored Glycine 0 CA--C 1.546 1.977 0 C-N-CA 124.995 1.283 . . . . 10.0 116.202 -178.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1955 ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -137.64 -43.38 0.54 Allowed 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 125.166 1.386 . . . . 10.0 113.586 -171.55 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1956 ' ' ASP . . . . . . . . . . . . . 33.3 t70 . . . . . 0 C--O 1.254 1.312 0 C-N-CA 125.517 1.527 . . . . 10.0 113.294 -177.428 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A 1868 ' ' VAL . . . . . . . . . . . . . 9.0 p . . . . . 0 N--CA 1.477 0.887 0 CA-C-O 121.515 0.674 . . . . 10.0 111.471 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A 1869 ' ' THR . . . . . . . . . . . . . 18.2 m -138.91 153.09 48.23 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.979 1.312 . . . . 10.0 110.484 -177.469 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1870 ' ' ALA . . . . . . . . . . . . . . . -123.84 126.78 47.04 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 126.375 1.87 . . . . 10.0 109.654 168.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1871 ' ' TYR . . . . . . . . . . . . . 54.2 p90 -149.36 156.39 41.98 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.251 1.02 . . . . 10.0 113.708 -175.858 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1872 ' ' GLY . . . . . . . . . . . . . . . 139.13 173.45 13.04 Favored Glycine 0 CA--C 1.534 1.266 0 C-N-CA 126.36 1.933 . . . . 10.0 115.073 179.371 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1873 ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -69.79 -24.81 29.12 Favored 'Trans proline' 0 C--N 1.351 0.665 0 C-N-CA 123.108 2.538 . . . . 10.0 112.609 179.415 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1874 ' ' GLY . . . . . . . . . . . . . . . -69.84 -7.73 59.49 Favored Glycine 0 CA--C 1.534 1.27 0 N-CA-C 116.022 1.169 . . . . 10.0 116.022 -178.666 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1875 ' ' LEU . . . . . . . . . . . . . 65.2 mt -87.2 -16.01 36.56 Favored 'General case' 0 CA--C 1.554 1.116 0 CA-C-N 119.022 1.411 . . . . 10.0 113.864 174.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1876 ' ' THR . . . . . . . . . . . . . 40.0 p -127.86 -30.65 2.48 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 125.022 1.329 . . . . 10.0 113.607 -171.531 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1877 ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -132.71 -179.81 5.69 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 125.648 1.579 . . . . 10.0 111.332 177.382 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1878 ' ' GLY . . . . . . . . . . . . . . . -168.8 177.01 42.86 Favored Glycine 0 CA--C 1.543 1.804 0 O-C-N 121.041 -1.037 . . . . 10.0 112.665 171.812 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1879 ' ' VAL . . . . . . . . . . . . . 7.4 p -136.49 134.18 49.34 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 124.673 1.189 . . . . 10.0 111.65 167.612 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1880 ' ' VAL . . . . . 0.517 HG23 HG12 ' A' 1952 ' ' VAL . 31.8 t -80.7 144.77 10.06 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 126.214 1.806 . . . . 10.0 111.797 -168.579 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1881 ' ' ASN . . . . . . . . . . . . . 2.1 m-80 66.79 10.14 7.3 Favored 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 126.409 1.883 . . . . 10.0 114.523 178.185 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1882 ' ' LYS . . . . . 0.427 ' HA ' ' HD3' ' A' 1883 ' ' PRO . 35.9 tptt -134.48 145.57 55.7 Favored Pre-proline 0 N--CA 1.472 0.656 0 C-N-CA 127.81 2.444 . . . . 10.0 109.829 173.402 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1883 ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' 1882 ' ' LYS . 51.0 Cg_exo -55.06 140.57 80.31 Favored 'Trans proline' 0 C--O 1.238 0.492 0 C-N-CA 123.45 2.767 . . . . 10.0 115.411 -175.382 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1884 ' ' ALA . . . . . . . . . . . . . . . -121.11 151.23 40.12 Favored 'General case' 0 C--O 1.242 0.699 0 C-N-CA 125.765 1.626 . . . . 10.0 110.997 173.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1885 ' ' THR . . . . . . . . . . . . . 58.9 p -150.25 160.85 43.39 Favored 'General case' 0 N--CA 1.483 1.196 0 O-C-N 121.295 -0.878 . . . . 10.0 113.032 -170.42 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1886 ' ' PHE . . . . . . . . . . . . . 39.1 p90 -149.5 151.34 33.77 Favored 'General case' 0 C--O 1.24 0.575 0 C-N-CA 125.176 1.391 . . . . 10.0 110.302 165.586 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1887 ' ' THR . . . . . . . . . . . . . 47.9 m -91.05 138.3 31.71 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 124.584 1.154 . . . . 10.0 110.807 179.589 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1888 ' ' VAL . . . . . . . . . . . . . 1.6 m -127.47 148.37 32.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 125.529 1.531 . . . . 10.0 109.352 169.108 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1889 ' ' ASN . . . . . . . . . . . . . 26.2 t30 -133.58 96.69 3.75 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 125.684 1.594 . . . . 10.0 111.913 -168.13 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 7.9 p -91.74 13.63 17.63 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 125.537 1.535 . . . . 10.0 113.759 -171.478 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1891 ' ' LYS . . . . . . . . . . . . . 53.7 mtpt -61.6 123.69 18.61 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 125.858 1.663 . . . . 10.0 112.481 -177.421 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 29.2 t70 50.54 20.69 0.74 Allowed 'General case' 0 CA--C 1.555 1.152 0 C-N-CA 126.426 1.89 . . . . 10.0 115.86 -176.707 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1893 ' ' ALA . . . . . . . . . . . . . . . -69.24 -24.27 63.98 Favored 'General case' 0 CA--C 1.551 0.981 0 N-CA-C 114.947 1.462 . . . . 10.0 114.947 -174.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.402 0 C-N-CA 124.906 1.241 . . . . 10.0 111.682 -174.082 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A 1898 ' ' LEU . . . . . . . . . . . . . 3.1 tm? . . . . . 0 CA--C 1.544 0.716 0 CA-C-O 120.202 0.049 . . . . 10.0 111.129 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A 1899 ' ' SER . . . . . . . . . . . . . 21.3 t -151.06 147.16 26.76 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.969 1.308 . . . . 10.0 111.321 176.019 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1900 ' ' LEU . . . . . 0.426 HD21 HG21 ' A' 1922 ' ' VAL . 3.3 pp -158.63 168.14 27.69 Favored 'General case' 0 N--CA 1.446 -0.638 0 N-CA-C 114.387 1.254 . . . . 10.0 114.387 -173.676 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1901 ' ' ALA . . . . . . . . . . . . . . . -155.43 167.58 29.9 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.036 1.334 . . . . 10.0 112.216 168.477 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1902 ' ' ILE . . . . . . . . . . . . . 2.4 mp -123.77 120.8 60.75 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 C-N-CA 125.502 1.521 . . . . 10.0 108.616 179.753 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1903 ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -89.74 178.63 6.2 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 126.004 1.722 . . . . 10.0 110.852 169.318 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1904 ' ' GLY . . . . . . . . . . . . . . . 158.68 -169.18 35.03 Favored Glycine 0 CA--C 1.539 1.576 0 C-N-CA 125.237 1.398 . . . . 10.0 113.053 -179.176 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1905 ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -70.49 -19.12 33.05 Favored 'Trans proline' 0 CA--C 1.546 1.096 0 C-N-CA 122.611 2.207 . . . . 10.0 112.001 173.527 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1906 ' ' SER . . . . . . . . . . . . . 20.2 t -147.87 118.13 7.34 Favored 'General case' 0 C--O 1.234 0.271 0 C-N-CA 129.987 3.315 . . . . 10.0 109.162 -169.477 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1907 ' ' LYS . . . . . . . . . . . . . 64.4 mmtt -64.05 110.86 2.29 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 127.126 2.17 . . . . 10.0 111.822 -171.698 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1908 ' ' ALA . . . . . . . . . . . . . . . -67.72 150.06 49.17 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.09 1.356 . . . . 10.0 112.63 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1909 ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -85.78 102.35 13.59 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.271 1.428 . . . . 10.0 110.87 174.145 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1910 ' ' ILE . . . . . . . . . . . . . 20.9 mm -77.4 131.03 35.54 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.782 0 C-N-CA 124.553 1.141 . . . . 10.0 110.396 -173.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1911 ' ' SER . . . . . . . . . . . . . 8.4 t -146.73 169.98 17.93 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 127.553 2.341 . . . . 10.0 113.249 169.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1912 ' ' CYS . . . . . . . . . . . . . 27.6 p -149.59 164.61 34.65 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.979 1.311 . . . . 10.0 112.02 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1913 ' ' THR . . . . . . . . . . . . . 31.8 m -127.02 122.28 33.99 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.501 1.12 . . . . 10.0 111.601 -175.62 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1914 ' ' ASP . . . . . . . . . . . . . 34.6 t70 -71.31 135.58 47.45 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 123.647 0.779 . . . . 10.0 112.822 168.618 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1915 ' ' ASN . . . . . . . . . . . . . 28.3 m120 -139.41 159.71 41.52 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 125.377 1.471 . . . . 10.0 112.305 173.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1916 ' ' GLN . . . . . . . . . . . . . 18.2 tt0 -54.95 -46.15 74.96 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 128.074 2.549 . . . . 10.0 114.536 -174.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1917 ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -89.98 0.6 57.0 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 114.599 1.333 . . . . 10.0 114.599 -167.765 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1918 ' ' GLY . . . . . . . . . . . . . . . 98.13 36.48 4.67 Favored Glycine 0 CA--C 1.534 1.225 0 N-CA-C 115.589 0.996 . . . . 10.0 115.589 171.628 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1919 ' ' THR . . . . . . . . . . . . . 47.1 p -100.64 157.29 16.79 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 125.984 1.714 . . . . 10.0 112.276 167.783 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1920 ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -122.57 20.7 10.28 Favored 'General case' 0 CA--C 1.56 1.342 0 C-N-CA 124.863 1.265 . . . . 10.0 113.7 -176.749 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1921 ' ' SER . . . . . . . . . . . . . 67.4 m -22.19 108.2 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 129.556 3.142 . . . . 10.0 116.109 -171.605 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1922 ' ' VAL . . . . . 0.426 HG21 HD21 ' A' 1900 ' ' LEU . 93.7 t -82.58 136.56 22.66 Favored 'Isoleucine or valine' 0 C--O 1.245 0.861 0 C-N-CA 126.882 2.073 . . . . 10.0 110.451 -173.595 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1923 ' ' SER . . . . . . . . . . . . . 67.3 m -135.14 127.53 30.4 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 125.749 1.619 . . . . 10.0 111.976 -172.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1924 ' ' TYR . . . . . . . . . . . . . 29.6 p90 -151.22 -178.05 6.41 Favored 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 124.951 1.3 . . . . 10.0 112.002 -177.357 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1925 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -145.67 96.79 4.7 Favored Pre-proline 0 CA--C 1.551 1.005 0 C-N-CA 125.614 1.566 . . . . 10.0 111.645 -174.198 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1926 ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -71.14 121.92 8.27 Favored 'Trans proline' 0 C--O 1.242 0.679 0 C-N-CA 123.64 2.894 . . . . 10.0 110.269 176.074 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1927 ' ' VAL . . . . . . . . . . . . . 25.5 m -106.06 -0.77 9.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 N-CA-C 114.345 1.239 . . . . 10.0 114.345 -171.535 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1928 ' ' LEU . . . . . . . . . . . . . 4.3 tt -153.17 131.62 6.52 Favored Pre-proline 0 N--CA 1.478 0.961 0 C-N-CA 124.723 1.209 . . . . 10.0 110.576 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1929 ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -51.25 133.34 41.83 Favored 'Trans proline' 0 CA--C 1.544 0.999 0 C-N-CA 124.402 3.401 . . . . 10.0 113.279 -178.686 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1930 ' ' GLY . . . . . . . . . . . . . . . -178.25 -178.11 47.44 Favored Glycine 0 N--CA 1.465 0.606 0 N-CA-C 117.6 1.8 . . . . 10.0 117.6 -171.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1931 ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -105.2 88.51 2.88 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 126.791 2.036 . . . . 10.0 108.673 176.345 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1932 ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -84.01 93.01 7.98 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.698 1.199 . . . . 10.0 110.835 -173.528 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1933 ' ' SER . . . . . . . . . . . . . 58.8 m -65.56 124.57 22.69 Favored 'General case' 0 C--N 1.328 -0.363 0 O-C-N 121.486 -0.759 . . . . 10.0 112.11 176.558 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1934 ' ' ILE . . . . . . . . . . . . . 5.1 mm -95.68 126.93 48.1 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.811 0 C-N-CA 124.422 1.089 . . . . 10.0 110.04 176.342 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1935 ' ' LEU . . . . . . . . . . . . . 3.4 mm? -113.16 94.85 5.08 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 126.279 1.831 . . . . 10.0 109.454 -179.435 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1936 ' ' VAL . . . . . . . . . . . . . 15.5 t -107.62 134.64 48.78 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.387 0 C-N-CA 124.509 1.124 . . . . 10.0 111.14 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1937 ' ' LYS . . . . . . . . . . . . . 98.8 mttt -130.49 155.86 45.76 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 125.828 1.651 . . . . 10.0 111.862 176.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1938 ' ' TYR . . . . . . . . . . . . . 26.2 t80 -138.39 105.16 5.36 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 126.765 2.026 . . . . 10.0 110.636 168.71 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1939 ' ' ASN . . . . . . . . . . . . . 1.1 t30 53.53 79.76 0.12 Allowed 'General case' 0 CA--C 1.562 1.427 0 C-N-CA 126.688 1.995 . . . . 10.0 112.475 -175.649 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1940 ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 64.1 -4.77 0.36 Allowed 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 128.851 2.86 . . . . 10.0 117.544 173.741 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1941 ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -128.5 149.92 50.38 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.554 1.541 . . . . 10.0 110.34 -176.324 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1942 ' ' HIS . . . . . . . . . . . . . 88.4 m-70 -70.69 153.13 43.11 Favored 'General case' 0 C--N 1.346 0.423 0 CA-C-O 121.948 0.88 . . . . 10.0 112.864 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1943 ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -72.53 164.63 58.45 Favored Pre-proline 0 CA--C 1.547 0.84 0 C-N-CA 125.349 1.46 . . . . 10.0 112.267 -179.092 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1944 ' ' PRO . . . . . . . . . . . . . 40.1 Cg_exo -53.36 114.02 1.56 Allowed 'Trans proline' 0 CA--C 1.545 1.03 0 C-N-CA 124.641 3.56 . . . . 10.0 112.846 179.714 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1945 ' ' GLY . . . . . . . . . . . . . . . 87.44 -7.95 78.95 Favored Glycine 0 CA--C 1.549 2.165 0 C-N-CA 125.173 1.368 . . . . 10.0 115.446 177.579 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1946 ' ' SER . . . . . . . . . . . . . 4.1 m -66.2 152.78 93.54 Favored Pre-proline 0 N--CA 1.471 0.604 0 CA-C-N 118.609 1.205 . . . . 10.0 113.172 174.648 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1947 ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -74.48 165.07 86.47 Favored 'Cis proline' 0 C--N 1.355 0.88 0 CA-C-O 122.2 0.833 . . . . 10.0 113.465 -3.307 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1948 ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -114.57 166.5 11.65 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 126.05 1.74 . . . . 10.0 109.862 174.73 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1949 ' ' THR . . . . . . . . . . . . . 31.6 m -140.01 102.13 4.32 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 125.002 1.321 . . . . 10.0 111.75 -179.302 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1950 ' ' ALA . . . . . . . . . . . . . . . -93.13 111.48 23.13 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.704 1.201 . . . . 10.0 112.478 -173.611 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1951 ' ' ARG . . . . . . . . . . . . . 12.8 ttt180 -88.88 81.04 6.99 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 113.243 0.831 . . . . 10.0 113.243 -178.79 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1952 ' ' VAL . . . . . 0.517 HG12 HG23 ' A' 1880 ' ' VAL . 2.7 t -56.12 112.65 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.928 0 C-N-CA 129.117 2.967 . . . . 10.0 112.625 171.457 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1953 ' ' THR . . . . . . . . . . . . . 33.3 m -87.72 147.26 25.3 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 125.081 1.352 . . . . 10.0 110.217 177.845 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1954 ' ' GLY . . . . . . . . . . . . . . . -66.8 172.17 29.34 Favored Glycine 0 C--N 1.346 1.137 0 O-C-N 121.269 -0.894 . . . . 10.0 114.403 173.221 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1955 ' ' ASP . . . . . . . . . . . . . 36.1 t70 -134.18 -71.99 0.49 Allowed 'General case' 0 CA--C 1.559 1.304 0 C-N-CA 124.354 1.062 . . . . 10.0 113.6 -175.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1956 ' ' ASP . . . . . . . . . . . . . 35.2 t70 . . . . . 0 C--O 1.251 1.155 0 C-N-CA 124.723 1.209 . . . . 10.0 113.73 175.296 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A 1868 ' ' VAL . . . . . 0.438 HG11 ' HA ' ' A' 1890 ' ' THR . 10.8 m . . . . . 0 N--CA 1.478 0.958 0 CA-C-O 121.542 0.687 . . . . 10.0 109.964 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1869 ' ' THR . . . . . . . . . . . . . 63.2 p -141.71 169.22 18.01 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 120.221 -1.55 . . . . 10.0 110.511 -172.117 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1870 ' ' ALA . . . . . . . . . . . . . . . -126.17 137.29 53.55 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.875 1.67 . . . . 10.0 109.517 179.704 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1871 ' ' TYR . . . . . . . . . . . . . 14.5 p90 -156.16 152.18 27.57 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.698 1.199 . . . . 10.0 112.058 -179.081 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1872 ' ' GLY . . . . . . . . . . . . . . . 144.5 175.41 17.62 Favored Glycine 0 N--CA 1.475 1.253 0 O-C-N 120.69 -1.256 . . . . 10.0 112.719 176.094 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1873 ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -64.66 -34.08 52.63 Favored 'Trans proline' 0 CA--C 1.532 0.405 0 C-N-CA 123.82 3.013 . . . . 10.0 113.149 -174.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1874 ' ' GLY . . . . . . . . . . . . . . . -67.12 -7.75 46.01 Favored Glycine 0 CA--C 1.531 1.046 0 C-N-CA 125.724 1.631 . . . . 10.0 116.121 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1875 ' ' LEU . . . . . . . . . . . . . 24.2 mt -95.19 -3.8 47.1 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 118.827 1.314 . . . . 10.0 112.768 169.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1876 ' ' THR . . . . . . . . . . . . . 69.9 m -121.99 -48.72 2.11 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 126.195 1.798 . . . . 10.0 111.432 -170.187 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1877 ' ' HIS . . . . . . . . . . . . . 14.8 p80 -142.92 -179.44 6.36 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 126.417 1.887 . . . . 10.0 111.461 178.098 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1878 ' ' GLY . . . . . . . . . . . . . . . -168.1 176.94 42.49 Favored Glycine 0 N--CA 1.472 1.033 0 C-N-CA 124.636 1.112 . . . . 10.0 114.078 176.464 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1879 ' ' VAL . . . . . . . . . . . . . 12.6 p -134.82 145.45 32.36 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.799 0 C-N-CA 125.453 1.501 . . . . 10.0 110.508 171.811 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1880 ' ' VAL . . . . . . . . . . . . . 65.6 t -85.55 146.76 6.11 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 C-N-CA 125.296 1.439 . . . . 10.0 113.522 -171.486 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1881 ' ' ASN . . . . . . . . . . . . . 77.0 m-20 54.58 18.05 1.88 Allowed 'General case' 0 CA--C 1.557 1.246 0 C-N-CA 127.727 2.411 . . . . 10.0 114.654 -177.348 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1882 ' ' LYS . . . . . 0.433 ' HA ' ' HD3' ' A' 1883 ' ' PRO . 37.3 tptt -137.54 145.21 48.16 Favored Pre-proline 0 N--CA 1.475 0.82 0 C-N-CA 127.517 2.327 . . . . 10.0 110.359 171.527 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1883 ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' 1882 ' ' LYS . 51.2 Cg_exo -58.31 141.76 97.08 Favored 'Trans proline' 0 N--CA 1.459 -0.529 0 C-N-CA 124.66 3.573 . . . . 10.0 114.229 -175.134 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1884 ' ' ALA . . . . . . . . . . . . . . . -128.61 156.17 43.81 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 125.836 1.654 . . . . 10.0 110.976 172.141 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1885 ' ' THR . . . . . . . . . . . . . 28.3 p -151.71 162.91 40.22 Favored 'General case' 0 N--CA 1.469 0.525 0 N-CA-C 114.56 1.319 . . . . 10.0 114.56 -169.211 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1886 ' ' PHE . . . . . . . . . . . . . 43.7 p90 -148.57 178.77 8.34 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.26 1.424 . . . . 10.0 110.514 168.382 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1887 ' ' THR . . . . . . . . . . . . . 92.5 m -125.59 137.29 53.9 Favored 'General case' 0 N--CA 1.463 0.223 0 C-N-CA 124.605 1.162 . . . . 10.0 111.402 -173.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1888 ' ' VAL . . . . . 0.458 ' CG2' ' HB3' ' A' 1920 ' ' CYS . 5.9 m -125.41 146.33 31.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 C-N-CA 125.351 1.46 . . . . 10.0 107.875 165.603 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1889 ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -126.77 88.56 2.84 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 125.198 1.399 . . . . 10.0 108.245 -177.872 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1890 ' ' THR . . . . . 0.438 ' HA ' HG11 ' A' 1868 ' ' VAL . 44.8 p -104.69 74.19 1.13 Allowed 'General case' 0 C--O 1.241 0.649 0 N-CA-C 113.811 1.041 . . . . 10.0 113.811 -166.693 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1891 ' ' LYS . . . . . . . . . . . . . 51.1 mtpt -107.49 -72.25 0.73 Allowed 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 125.158 1.383 . . . . 10.0 112.288 -175.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 19.8 t70 -64.72 -19.82 65.98 Favored 'General case' 0 N--CA 1.485 1.29 0 N-CA-C 116.059 1.874 . . . . 10.0 116.059 -169.218 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1893 ' ' ALA . . . . . . . . . . . . . . . -65.41 -8.14 17.4 Favored 'General case' 0 CA--C 1.555 1.148 0 N-CA-C 114.652 1.353 . . . . 10.0 114.652 169.74 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.45 0 C-N-CA 124.95 1.262 . . . . 10.0 112.823 178.726 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A 1898 ' ' LEU . . . . . 0.406 ' HB3' ' CE2' ' A' 1938 ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.472 0.632 0 N-CA-C 114.408 1.262 . . . . 10.0 114.408 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1899 ' ' SER . . . . . . . . . . . . . 20.3 t -158.16 155.74 29.63 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.633 1.573 . . . . 10.0 110.574 173.549 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1900 ' ' LEU . . . . . . . . . . . . . 4.1 pp -146.9 170.59 16.75 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 114.257 1.206 . . . . 10.0 114.257 173.776 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1901 ' ' ALA . . . . . . . . . . . . . . . -149.15 166.49 28.65 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.577 1.551 . . . . 10.0 111.994 170.82 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1902 ' ' ILE . . . . . . . . . . . . . 1.5 mp -120.09 131.42 72.5 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 124.087 0.955 . . . . 10.0 109.617 174.634 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1903 ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -110.49 173.64 6.23 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 127.448 2.299 . . . . 10.0 110.327 170.795 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1904 ' ' GLY . . . . . . . . . . . . . . . 157.28 -167.08 33.86 Favored Glycine 0 N--CA 1.481 1.641 0 C-N-CA 124.78 1.181 . . . . 10.0 112.889 -175.059 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1905 ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -72.16 -17.56 27.84 Favored 'Trans proline' 0 CA--C 1.537 0.657 0 C-N-CA 122.685 2.257 . . . . 10.0 112.396 172.015 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1906 ' ' SER . . . . . . . . . . . . . 19.1 t -146.96 179.07 7.86 Favored 'General case' 0 C--O 1.245 0.859 0 C-N-CA 129.699 3.2 . . . . 10.0 107.73 -167.165 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1907 ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -122.65 166.19 15.29 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.263 1.025 . . . . 10.0 113.262 -173.797 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1908 ' ' ALA . . . . . . . . . . . . . . . -146.94 -179.27 6.69 Favored 'General case' 0 CA--C 1.56 1.333 0 C-N-CA 127.156 2.182 . . . . 10.0 110.754 178.304 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1909 ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -123.8 122.12 37.22 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.683 1.193 . . . . 10.0 110.91 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1910 ' ' ILE . . . . . . . . . . . . . 1.6 mp -71.02 120.91 19.83 Favored 'Isoleucine or valine' 0 C--O 1.24 0.589 0 C-N-CA 125.814 1.646 . . . . 10.0 110.279 -178.109 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1911 ' ' SER . . . . . . . . . . . . . 58.1 m -129.16 88.06 2.65 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.799 1.24 . . . . 10.0 111.419 179.038 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1912 ' ' CYS . . . . . . . . . . . . . 25.0 p -63.71 155.13 30.98 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.748 1.619 . . . . 10.0 114.338 174.056 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1913 ' ' THR . . . . . . . . . . . . . 4.2 m -131.79 84.53 2.17 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 125.012 1.325 . . . . 10.0 110.564 178.39 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1914 ' ' ASP . . . . . . . . . . . . . 21.9 t70 -72.7 98.36 2.36 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 126.549 1.94 . . . . 10.0 111.506 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1915 ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -105.19 159.24 16.02 Favored 'General case' 0 C--O 1.242 0.686 0 C-N-CA 124.734 1.213 . . . . 10.0 110.663 178.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1916 ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -64.01 -16.72 62.28 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 125.506 1.522 . . . . 10.0 114.667 -174.092 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1917 ' ' ASP . . . . . . . . . . . . . 33.6 t70 -79.59 -13.91 59.19 Favored 'General case' 0 CA--C 1.555 1.159 0 C-N-CA 125.606 1.562 . . . . 10.0 112.603 178.581 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1918 ' ' GLY . . . . . . . . . . . . . . . 109.4 8.67 26.61 Favored Glycine 0 CA--C 1.535 1.311 0 C-N-CA 125.197 1.379 . . . . 10.0 114.608 174.389 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1919 ' ' THR . . . . . . . . . . . . . 68.4 p -83.66 152.53 24.72 Favored 'General case' 0 N--CA 1.478 0.931 0 O-C-N 120.754 -1.439 . . . . 10.0 112.493 176.807 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1920 ' ' CYS . . . . . 0.458 ' HB3' ' CG2' ' A' 1888 ' ' VAL . 0.5 OUTLIER -112.85 -4.79 13.92 Favored 'General case' 0 CA--C 1.556 1.184 0 N-CA-C 114.433 1.271 . . . . 10.0 114.433 172.418 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A 1921 ' ' SER . . . . . . . . . . . . . 74.7 m 13.63 86.2 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 131.269 3.828 . . . . 10.0 116.511 172.268 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1922 ' ' VAL . . . . . . . . . . . . . 55.3 t -80.87 121.84 35.05 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 C-N-CA 124.889 1.276 . . . . 10.0 112.245 -178.648 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1923 ' ' SER . . . . . . . . . . . . . 39.3 m -95.99 154.07 17.43 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 126.22 1.808 . . . . 10.0 109.279 168.188 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1924 ' ' TYR . . . . . . . . . . . . . 11.8 p90 -149.17 175.43 11.38 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 127.426 2.291 . . . . 10.0 109.999 171.677 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1925 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -152.45 85.08 4.59 Favored Pre-proline 0 CA--C 1.556 1.178 0 O-C-N 119.837 -1.789 . . . . 10.0 110.868 -170.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1926 ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -71.68 121.82 8.01 Favored 'Trans proline' 0 CA--C 1.539 0.77 0 C-N-CA 124.039 3.159 . . . . 10.0 111.723 -170.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1927 ' ' VAL . . . . . . . . . . . . . 27.5 m -78.39 -17.73 13.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 N-CA-C 114.406 1.261 . . . . 10.0 114.406 -178.257 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1928 ' ' LEU . . . . . . . . . . . . . 17.7 mt -138.95 160.33 63.27 Favored Pre-proline 0 CA--C 1.551 0.985 0 C-N-CA 127.093 2.157 . . . . 10.0 111.352 171.386 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1929 ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -72.01 164.16 36.52 Favored 'Trans proline' 0 CA--C 1.534 0.501 0 C-N-CA 123.893 3.062 . . . . 10.0 111.608 176.693 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1930 ' ' GLY . . . . . . . . . . . . . . . 159.35 179.11 33.94 Favored Glycine 0 C--N 1.346 1.093 0 N-CA-C 115.713 1.045 . . . . 10.0 115.713 173.113 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1931 ' ' ASP . . . . . . . . . . . . . 15.4 p-10 -88.48 74.34 8.56 Favored 'General case' 0 C--O 1.242 0.679 0 C-N-CA 126.679 1.992 . . . . 10.0 109.937 169.492 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1932 ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -67.27 153.98 42.38 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 121.593 -0.692 . . . . 10.0 111.156 172.223 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1933 ' ' SER . . . . . . . . . . . . . 23.2 t -130.58 130.68 44.35 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 125.689 1.596 . . . . 10.0 109.872 -177.104 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1934 ' ' ILE . . . . . . . . . . . . . 5.7 mm -102.55 108.97 25.27 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 C-N-CA 124.627 1.171 . . . . 10.0 110.197 -174.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1935 ' ' LEU . . . . . . . . . . . . . 3.8 mm? -96.3 99.57 11.26 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 126.03 1.732 . . . . 10.0 110.46 -178.482 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1936 ' ' VAL . . . . . . . . . . . . . 21.0 t -111.82 134.69 53.46 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.376 0 C-N-CA 124.212 1.005 . . . . 10.0 110.884 -175.115 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1937 ' ' LYS . . . . . . . . . . . . . 94.0 mttt -128.63 154.74 45.94 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 126.303 1.841 . . . . 10.0 113.974 176.092 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1938 ' ' TYR . . . . . 0.406 ' CE2' ' HB3' ' A' 1898 ' ' LEU . 1.0 OUTLIER -135.9 125.3 24.92 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.485 1.514 . . . . 10.0 107.624 168.113 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A 1939 ' ' ASN . . . . . . . . . . . . . 52.7 t30 41.41 59.14 2.47 Favored 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 127.266 2.227 . . . . 10.0 113.817 -171.094 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1940 ' ' GLU . . . . . . . . . . . . . 7.0 tp10 66.51 -3.66 0.83 Allowed 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 128.258 2.623 . . . . 10.0 116.327 177.578 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1941 ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -110.42 141.28 43.72 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 125.031 1.332 . . . . 10.0 111.75 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1942 ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -67.06 150.75 48.77 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-N 119.772 1.169 . . . . 10.0 113.843 -176.561 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1943 ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -72.62 166.08 45.72 Favored Pre-proline 0 N--CA 1.477 0.908 0 C-N-CA 125.57 1.548 . . . . 10.0 113.55 -175.792 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1944 ' ' PRO . . . . . . . . . . . . . 44.5 Cg_exo -58.63 109.46 0.52 Allowed 'Trans proline' 0 CA--C 1.549 1.24 0 C-N-CA 125.206 3.938 . . . . 10.0 113.052 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1945 ' ' GLY . . . . . . . . . . . . . . . 86.56 2.14 85.09 Favored Glycine 0 CA--C 1.544 1.874 0 N-CA-C 115.814 1.086 . . . . 10.0 115.814 -178.648 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1946 ' ' SER . . . . . . . . . . . . . 2.8 m -67.04 153.54 94.34 Favored Pre-proline 0 N--CA 1.478 0.958 0 CA-C-N 119.636 1.718 . . . . 10.0 112.82 174.411 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1947 ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -75.17 161.51 94.59 Favored 'Cis proline' 0 C--N 1.362 1.247 0 N-CA-C 113.721 0.624 . . . . 10.0 113.721 -10.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1948 ' ' PHE . . . . . . . . . . . . . 78.9 m-85 -100.01 169.1 9.42 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 125.626 1.57 . . . . 10.0 111.87 172.837 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1949 ' ' THR . . . . . . . . . . . . . 29.9 m -141.41 111.02 6.46 Favored 'General case' 0 N--CA 1.488 1.455 0 CA-C-N 119.83 1.196 . . . . 10.0 112.406 -173.156 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1950 ' ' ALA . . . . . . . . . . . . . . . -106.92 129.81 54.68 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.325 1.45 . . . . 10.0 111.781 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1951 ' ' ARG . . . . . . . . . . . . . 29.1 ptt180 -98.49 22.46 9.78 Favored 'General case' 0 N--CA 1.493 1.706 0 N-CA-C 116.504 2.039 . . . . 10.0 116.504 -168.41 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1952 ' ' VAL . . . . . . . . . . . . . 17.3 t -8.43 104.07 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 131.458 3.903 . . . . 10.0 114.767 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1953 ' ' THR . . . . . . . . . . . . . 25.6 m -82.74 132.28 35.18 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.276 1.431 . . . . 10.0 111.971 -178.031 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1954 ' ' GLY . . . . . . . . . . . . . . . -88.71 160.21 29.92 Favored Glycine 0 N--CA 1.467 0.756 0 C-N-CA 124.491 1.043 . . . . 10.0 112.55 177.17 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1955 ' ' ASP . . . . . . . . . . . . . 32.5 t70 -144.27 -46.3 0.26 Allowed 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 124.302 1.041 . . . . 10.0 113.517 179.107 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1956 ' ' ASP . . . . . . . . . . . . . 34.4 t70 . . . . . 0 C--O 1.257 1.496 0 C-N-CA 125.208 1.403 . . . . 10.0 114.19 175.081 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A 1868 ' ' VAL . . . . . . . . . . . . . 8.6 p . . . . . 0 N--CA 1.474 0.734 0 N-CA-C 111.628 0.232 . . . . 10.0 111.628 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A 1869 ' ' THR . . . . . . . . . . . . . 82.8 p -134.59 175.23 9.72 Favored 'General case' 0 N--CA 1.488 1.47 0 C-N-CA 124.594 1.158 . . . . 10.0 110.088 173.818 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1870 ' ' ALA . . . . . . . . . . . . . . . -137.52 120.52 16.58 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.334 1.054 . . . . 10.0 109.353 169.803 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1871 ' ' TYR . . . . . . . . . . . . . 53.4 p90 -147.11 160.11 42.81 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 125.022 1.329 . . . . 10.0 112.672 -177.344 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1872 ' ' GLY . . . . . . . . . . . . . . . 137.28 176.79 14.6 Favored Glycine 0 CA--C 1.538 1.481 0 C-N-CA 124.596 1.093 . . . . 10.0 114.08 -178.18 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1873 ' ' PRO . . . . . . . . . . . . . 76.8 Cg_endo -68.13 -30.6 31.3 Favored 'Trans proline' 0 N--CA 1.451 -1.005 0 C-N-CA 123.235 2.624 . . . . 10.0 113.408 179.105 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1874 ' ' GLY . . . . . . . . . . . . . . . -65.45 -9.49 43.9 Favored Glycine 0 CA--C 1.54 1.631 0 N-CA-C 115.929 1.131 . . . . 10.0 115.929 -177.145 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1875 ' ' LEU . . . . . . . . . . . . . 43.4 mt -94.09 -8.28 40.11 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-N 119.56 1.68 . . . . 10.0 113.947 171.615 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1876 ' ' THR . . . . . . . . . . . . . 35.7 m -120.04 -37.53 3.07 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 125.491 1.516 . . . . 10.0 111.636 -174.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1877 ' ' HIS . . . . . . . . . . . . . 57.3 m80 -128.77 173.44 10.34 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 127.979 2.512 . . . . 10.0 111.036 174.784 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1878 ' ' GLY . . . . . . . . . . . . . . . -152.56 168.65 31.63 Favored Glycine 0 N--CA 1.472 1.055 0 C-N-CA 126.308 1.908 . . . . 10.0 112.32 174.34 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1879 ' ' VAL . . . . . . . . . . . . . 3.4 t -131.48 115.55 28.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 CA-C-N 118.515 1.158 . . . . 10.0 110.634 178.344 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1880 ' ' VAL . . . . . 0.429 HG23 HG12 ' A' 1952 ' ' VAL . 76.5 t -63.09 126.92 22.41 Favored 'Isoleucine or valine' 0 C--O 1.236 0.367 0 C-N-CA 124.79 1.236 . . . . 10.0 110.817 -177.749 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1881 ' ' ASN . . . . . . . . . . . . . 75.1 m-20 55.45 22.57 5.14 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 128.002 2.521 . . . . 10.0 114.871 -176.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1882 ' ' LYS . . . . . 0.412 ' HA ' ' HD3' ' A' 1883 ' ' PRO . 0.0 OUTLIER -131.62 128.28 21.74 Favored Pre-proline 0 N--CA 1.486 1.333 0 C-N-CA 125.164 1.385 . . . . 10.0 110.665 169.021 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A 1883 ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' 1882 ' ' LYS . 35.7 Cg_exo -56.46 118.89 5.78 Favored 'Trans proline' 0 C--N 1.357 1.008 0 C-N-CA 123.241 2.627 . . . . 10.0 111.072 -172.172 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1884 ' ' ALA . . . . . . . . . . . . . . . -102.44 156.99 17.23 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.541 1.536 . . . . 10.0 111.286 177.827 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1885 ' ' THR . . . . . . . . . . . . . 71.3 p -147.95 162.07 40.05 Favored 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 114.513 1.301 . . . . 10.0 114.513 -169.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1886 ' ' PHE . . . . . . . . . . . . . 53.2 p90 -152.37 157.07 40.77 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 127.262 2.225 . . . . 10.0 110.809 167.372 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1887 ' ' THR . . . . . . . . . . . . . 47.1 m -92.94 138.02 31.85 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.705 1.602 . . . . 10.0 110.753 -177.036 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1888 ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -135.65 61.36 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 C-N-CA 128.933 2.893 . . . . 10.0 108.805 -177.531 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1889 ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -62.74 88.99 0.03 OUTLIER 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 130.012 3.325 . . . . 10.0 111.678 -176.141 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 5.6 p -70.56 54.16 0.15 Allowed 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 130.665 3.586 . . . . 10.0 112.584 170.804 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1891 ' ' LYS . . . . . . . . . . . . . 1.8 ptmt -48.51 -57.79 5.63 Favored 'General case' 0 N--CA 1.485 1.308 0 N-CA-C 116.951 2.204 . . . . 10.0 116.951 -178.473 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 33.7 t70 -129.47 11.21 5.79 Favored 'General case' 0 CA--C 1.562 1.433 0 C-N-CA 126.336 1.854 . . . . 10.0 111.63 175.64 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1893 ' ' ALA . . . . . . . . . . . . . . . -58.08 -49.74 75.89 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 128.349 2.659 . . . . 10.0 114.593 -170.216 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.393 0 C-N-CA 125.125 1.345 . . . . 10.0 111.847 -171.945 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A 1898 ' ' LEU . . . . . . . . . . . . . 2.5 tm? . . . . . 0 CA--C 1.54 0.559 0 CA-C-O 121.112 0.482 . . . . 10.0 111.196 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A 1899 ' ' SER . . . . . . . . . . . . . 19.5 t -131.26 144.02 50.99 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 126.543 1.937 . . . . 10.0 110.576 -178.544 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1900 ' ' LEU . . . . . . . . . . . . . 82.0 mt -129.64 155.32 46.05 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 125.565 1.546 . . . . 10.0 113.286 -172.208 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1901 ' ' ALA . . . . . . . . . . . . . . . -144.23 111.6 5.97 Favored 'General case' 0 N--CA 1.444 -0.761 0 C-N-CA 125.98 1.712 . . . . 10.0 108.608 166.457 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1902 ' ' ILE . . . . . . . . . . . . . 1.9 mp -97.17 137.03 25.95 Favored 'Isoleucine or valine' 0 C--O 1.243 0.721 0 O-C-N 121.073 -1.017 . . . . 10.0 109.277 173.639 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1903 ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 -126.61 173.66 9.28 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 126.53 1.932 . . . . 10.0 111.115 176.293 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1904 ' ' GLY . . . . . . . . . . . . . . . 156.88 -164.95 32.96 Favored Glycine 0 N--CA 1.479 1.52 0 C-N-CA 123.818 0.723 . . . . 10.0 112.02 -176.233 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1905 ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -71.05 -18.21 31.16 Favored 'Trans proline' 0 CA--C 1.545 1.058 0 C-N-CA 122.704 2.27 . . . . 10.0 112.081 169.817 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1906 ' ' SER . . . . . . . . . . . . . 17.6 t -147.53 -174.9 4.66 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 128.279 2.632 . . . . 10.0 109.128 -168.725 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1907 ' ' LYS . . . . . . . . . . . . . 98.7 mttt -123.3 165.42 17.0 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 124.973 1.309 . . . . 10.0 113.718 -168.84 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1908 ' ' ALA . . . . . . . . . . . . . . . -139.62 137.57 35.41 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.157 1.383 . . . . 10.0 113.094 178.758 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1909 ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -63.25 153.91 33.17 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 123.617 0.767 . . . . 10.0 110.605 167.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1910 ' ' ILE . . . . . . . . . . . . . 25.3 mm -125.07 126.84 71.75 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.732 0 C-N-CA 125.256 1.422 . . . . 10.0 110.481 -177.802 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1911 ' ' SER . . . . . . . . . . . . . 56.4 m -135.43 157.23 47.41 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 127.621 2.368 . . . . 10.0 110.898 172.673 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1912 ' ' CYS . . . . . . . . . . . . . 26.3 p -157.05 166.51 33.12 Favored 'General case' 0 C--N 1.349 0.55 0 C-N-CA 125.374 1.469 . . . . 10.0 112.669 179.006 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1913 ' ' THR . . . . . . . . . . . . . 85.0 m -103.64 94.32 5.39 Favored 'General case' 0 N--CA 1.476 0.843 0 O-C-N 120.66 -1.275 . . . . 10.0 109.372 171.001 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1914 ' ' ASP . . . . . . . . . . . . . 30.8 t70 -59.11 -29.1 67.12 Favored 'General case' 0 C--O 1.246 0.871 0 C-N-CA 125.646 1.579 . . . . 10.0 113.641 -174.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1915 ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -65.68 108.78 2.19 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 125.613 1.565 . . . . 10.0 110.509 171.027 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1916 ' ' GLN . . . . . . . . . . . . . 10.7 tm0? -68.1 70.8 0.16 Allowed 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 126.443 1.897 . . . . 10.0 112.09 174.179 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1917 ' ' ASP . . . . . . . . . . . . . 33.5 t70 -86.28 5.31 35.08 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 127.483 2.313 . . . . 10.0 112.705 176.399 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1918 ' ' GLY . . . . . . . . . . . . . . . 133.09 -18.57 4.46 Favored Glycine 0 CA--C 1.533 1.182 0 C-N-CA 127.596 2.522 . . . . 10.0 113.642 -176.692 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1919 ' ' THR . . . . . . . . . . . . . 2.4 t -156.51 152.43 27.34 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.172 1.389 . . . . 10.0 111.436 175.337 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1920 ' ' CYS . . . . . . . . . . . . . 7.3 t -81.11 0.4 36.33 Favored 'General case' 0 CA--C 1.558 1.27 0 C-N-CA 125.358 1.463 . . . . 10.0 114.024 174.44 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1921 ' ' SER . . . . . . . . . . . . . 5.7 t 28.06 75.04 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 131.149 3.779 . . . . 10.0 115.188 175.875 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1922 ' ' VAL . . . . . . . . . . . . . 24.8 t -71.52 133.95 30.87 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.205 0 C-N-CA 125.026 1.33 . . . . 10.0 111.496 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1923 ' ' SER . . . . . . . . . . . . . 67.8 m -126.01 139.3 53.53 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 127.031 2.132 . . . . 10.0 109.938 168.714 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1924 ' ' TYR . . . . . . . . . . . . . 24.5 p90 -140.32 162.24 35.77 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 124.469 1.108 . . . . 10.0 111.034 176.257 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1925 ' ' LEU . . . . . . . . . . . . . 2.0 tm? -143.57 94.4 6.1 Favored Pre-proline 0 CA--C 1.542 0.635 0 CA-C-O 118.39 -0.814 . . . . 10.0 109.966 -172.587 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1926 ' ' PRO . . . . . . . . . . . . . 50.7 Cg_endo -75.21 155.72 42.01 Favored 'Trans proline' 0 CA--C 1.54 0.801 0 C-N-CA 123.54 2.827 . . . . 10.0 110.702 175.101 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1927 ' ' VAL . . . . . . . . . . . . . 29.2 m -111.7 -16.06 9.53 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 N-CA-C 115.869 1.803 . . . . 10.0 115.869 -175.843 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1928 ' ' LEU . . . . . . . . . . . . . 18.9 mt -143.35 159.1 56.37 Favored Pre-proline 0 CA--C 1.543 0.674 0 C-N-CA 126.34 1.856 . . . . 10.0 112.296 170.312 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1929 ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -74.52 164.03 34.79 Favored 'Trans proline' 0 CA--C 1.536 0.579 0 C-N-CA 123.672 2.915 . . . . 10.0 112.128 -177.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1930 ' ' GLY . . . . . . . . . . . . . . . 153.31 -179.85 29.36 Favored Glycine 0 CA--C 1.54 1.598 0 N-CA-C 117.098 1.599 . . . . 10.0 117.098 177.605 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1931 ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -85.23 88.58 7.5 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.395 1.478 . . . . 10.0 109.288 169.106 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1932 ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -82.49 161.65 22.31 Favored 'General case' 0 C--O 1.222 -0.378 0 O-C-N 121.463 -0.773 . . . . 10.0 110.51 173.131 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1933 ' ' SER . . . . . . . . . . . . . 70.4 m -124.31 146.91 48.51 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 125.313 1.445 . . . . 10.0 110.794 174.635 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1934 ' ' ILE . . . . . . . . . . . . . 3.8 mm -119.11 109.77 27.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 C-N-CA 125.602 1.561 . . . . 10.0 109.389 -178.583 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1935 ' ' LEU . . . . . . . . . . . . . 2.0 mm? -98.19 110.02 22.67 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 126.148 1.779 . . . . 10.0 108.081 170.272 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1936 ' ' VAL . . . . . . . . . . . . . 22.7 t -108.16 133.59 52.61 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 C-N-CA 126.013 1.725 . . . . 10.0 110.49 177.46 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1937 ' ' LYS . . . . . . . . . . . . . 99.0 mttt -132.11 154.57 49.34 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 125.048 1.339 . . . . 10.0 111.426 170.422 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1938 ' ' TYR . . . . . . . . . . . . . 45.3 t80 -125.08 -27.23 3.57 Favored 'General case' 0 N--CA 1.486 1.327 0 N-CA-C 117.252 2.316 . . . . 10.0 117.252 174.465 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1939 ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -143.19 50.97 1.39 Allowed 'General case' 0 CA--C 1.558 1.261 0 C-N-CA 126.161 1.785 . . . . 10.0 111.309 -173.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1940 ' ' GLU . . . . . . . . . . . . . 5.8 tp10 58.64 10.56 1.46 Allowed 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 127.084 2.154 . . . . 10.0 113.462 -168.799 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1941 ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -137.72 147.12 44.5 Favored 'General case' 0 C--O 1.239 0.532 0 C-N-CA 127.611 2.364 . . . . 10.0 110.379 -170.387 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1942 ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -69.87 147.38 50.38 Favored 'General case' 0 C--O 1.241 0.652 0 N-CA-C 114.229 1.196 . . . . 10.0 114.229 -173.768 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1943 ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -69.19 164.83 44.82 Favored Pre-proline 0 C--O 1.242 0.701 0 C-N-CA 126.296 1.838 . . . . 10.0 113.276 175.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1944 ' ' PRO . . . . . . . . . . . . . 49.4 Cg_exo -59.94 115.32 2.54 Favored 'Trans proline' 0 CA--C 1.544 0.993 0 C-N-CA 124.792 3.662 . . . . 10.0 111.583 -176.773 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1945 ' ' GLY . . . . . . . . . . . . . . . 88.82 -6.01 84.06 Favored Glycine 0 N--CA 1.474 1.221 0 C-N-CA 126.087 1.803 . . . . 10.0 116.529 177.147 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1946 ' ' SER . . . . . . . . . . . . . 15.6 m -63.43 156.87 68.21 Favored Pre-proline 0 CA--C 1.551 0.989 0 CA-C-N 119.652 1.726 . . . . 10.0 114.854 172.076 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1947 ' ' PRO . . . . . . . . . . . . . 80.7 Cg_endo -76.0 172.26 63.99 Favored 'Cis proline' 0 CA--C 1.552 1.402 0 N-CA-C 114.343 0.863 . . . . 10.0 114.343 -7.58 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1948 ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -125.1 166.14 16.94 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 127.015 2.126 . . . . 10.0 111.347 178.716 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1949 ' ' THR . . . . . . . . . . . . . 28.5 m -134.48 101.84 5.11 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 125.354 1.461 . . . . 10.0 109.91 -179.378 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1950 ' ' ALA . . . . . . . . . . . . . . . -90.06 127.72 36.13 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.441 1.496 . . . . 10.0 111.656 -176.339 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1951 ' ' ARG . . . . . . . . . . . . . 40.2 ttm-85 -93.47 87.4 5.55 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 125.243 1.417 . . . . 10.0 113.054 173.699 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1952 ' ' VAL . . . . . 0.429 HG12 HG23 ' A' 1880 ' ' VAL . 2.4 t -63.98 115.32 2.6 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 C-N-CA 129.617 3.167 . . . . 10.0 112.115 171.851 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1953 ' ' THR . . . . . . . . . . . . . 6.2 t -102.26 146.5 27.91 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 124.869 1.268 . . . . 10.0 112.709 -179.665 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1954 ' ' GLY . . . . . . . . . . . . . . . -69.07 168.8 44.11 Favored Glycine 0 CA--C 1.534 1.247 0 N-CA-C 114.678 0.631 . . . . 10.0 114.678 -175.174 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1955 ' ' ASP . . . . . . . . . . . . . 38.8 t70 -154.83 -46.98 0.09 Allowed 'General case' 0 CA--C 1.555 1.139 0 C-N-CA 125.316 1.446 . . . . 10.0 112.11 174.484 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1956 ' ' ASP . . . . . . . . . . . . . 34.0 t70 . . . . . 0 N--CA 1.492 1.651 0 C-N-CA 125.503 1.521 . . . . 10.0 113.185 -179.095 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A 1868 ' ' VAL . . . . . . . . . . . . . 14.7 p . . . . . 0 CA--C 1.543 0.679 0 CA-C-O 121.542 0.687 . . . . 10.0 112.043 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A 1869 ' ' THR . . . . . . . . . . . . . 26.9 p -144.88 159.38 43.0 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 126.631 1.972 . . . . 10.0 112.889 -173.174 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1870 ' ' ALA . . . . . . . . . . . . . . . -120.15 143.43 48.21 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 128.756 2.822 . . . . 10.0 112.96 173.7 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1871 ' ' TYR . . . . . . . . . . . . . 15.7 p90 -156.79 163.91 38.69 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.458 1.503 . . . . 10.0 113.257 175.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1872 ' ' GLY . . . . . . . . . . . . . . . 124.59 166.71 12.49 Favored Glycine 0 CA--C 1.538 1.477 0 C-N-CA 126.262 1.887 . . . . 10.0 113.782 176.805 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1873 ' ' PRO . . . . . . . . . . . . . 25.4 Cg_exo -59.53 -37.82 86.58 Favored 'Trans proline' 0 CA--C 1.54 0.812 0 C-N-CA 123.768 2.979 . . . . 10.0 113.898 179.16 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1874 ' ' GLY . . . . . . . . . . . . . . . -57.66 -24.38 52.87 Favored Glycine 0 CA--C 1.531 1.048 0 C-N-CA 126.553 2.025 . . . . 10.0 116.066 -173.307 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1875 ' ' LEU . . . . . . . . . . . . . 24.6 mt -77.66 -12.49 59.97 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.131 1.372 . . . . 10.0 113.853 176.061 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1876 ' ' THR . . . . . . . . . . . . . 89.6 m -124.92 -39.28 2.27 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 126.018 1.727 . . . . 10.0 112.013 -171.573 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1877 ' ' HIS . . . . . . . . . . . . . 52.0 m-70 -132.53 172.49 12.43 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.787 1.635 . . . . 10.0 112.374 174.581 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1878 ' ' GLY . . . . . . . . . . . . . . . -155.11 176.1 32.88 Favored Glycine 0 CA--C 1.544 1.873 0 C-N-CA 124.009 0.814 . . . . 10.0 113.25 178.328 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1879 ' ' VAL . . . . . . . . . . . . . 17.7 t -132.96 112.06 17.71 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 C-N-CA 125.369 1.468 . . . . 10.0 109.603 175.321 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1880 ' ' VAL . . . . . . . . . . . . . 58.7 t -58.71 137.93 20.44 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.617 0 C-N-CA 123.108 0.563 . . . . 10.0 111.105 177.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1881 ' ' ASN . . . . . . . . . . . . . 4.7 m-80 61.31 7.79 1.85 Allowed 'General case' 0 CA--C 1.554 1.125 0 C-N-CA 126.728 2.011 . . . . 10.0 116.125 -176.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1882 ' ' LYS . . . . . 0.452 ' HA ' ' HD3' ' A' 1883 ' ' PRO . 43.6 tptt -121.22 144.08 38.86 Favored Pre-proline 0 N--CA 1.478 0.95 0 CA-C-N 119.72 1.145 . . . . 10.0 110.846 171.227 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1883 ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' A' 1882 ' ' LYS . 51.8 Cg_exo -61.71 116.38 3.4 Favored 'Trans proline' 0 CA--C 1.542 0.898 0 C-N-CA 123.316 2.678 . . . . 10.0 112.975 -171.469 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1884 ' ' ALA . . . . . . . . . . . . . . . -86.36 148.14 25.72 Favored 'General case' 0 CA--C 1.559 1.311 0 C-N-CA 123.966 0.906 . . . . 10.0 111.737 171.353 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1885 ' ' THR . . . . . . . . . . . . . 72.1 p -147.01 166.2 27.56 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.835 0.854 . . . . 10.0 112.104 178.577 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1886 ' ' PHE . . . . . . . . . . . . . 10.4 p90 -148.36 172.51 14.29 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 126.572 1.949 . . . . 10.0 110.289 168.802 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1887 ' ' THR . . . . . . . . . . . . . 47.2 m -126.79 136.76 52.83 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-O 123.122 1.439 . . . . 10.0 110.468 172.038 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1888 ' ' VAL . . . . . . . . . . . . . 2.0 t -146.42 123.95 3.99 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.094 0 C-N-CA 129.11 2.964 . . . . 10.0 105.189 -167.063 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1889 ' ' ASN . . . . . . . . . . . . . 15.1 t-20 -130.39 119.48 22.78 Favored 'General case' 0 C--O 1.245 0.854 0 O-C-N 123.926 0.766 . . . . 10.0 110.603 -168.013 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 24.4 p -84.77 60.38 6.12 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 126.318 1.847 . . . . 10.0 114.141 -169.848 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1891 ' ' LYS . . . . . . . . . . . . . 56.3 mttm -63.65 126.67 28.32 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 125.184 1.394 . . . . 10.0 111.361 176.319 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 21.8 t70 59.32 11.4 2.16 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 126.222 1.809 . . . . 10.0 115.816 179.652 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1893 ' ' ALA . . . . . . . . . . . . . . . -69.79 -12.95 62.02 Favored 'General case' 0 CA--C 1.554 1.132 0 C-N-CA 125.173 1.389 . . . . 10.0 114.23 -179.043 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.278 0 C-N-CA 127.24 2.352 . . . . 10.0 113.889 179.99 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A 1898 ' ' LEU . . . . . . . . . . . . . 8.1 tt . . . . . 0 C--O 1.237 0.401 0 CA-C-O 120.896 0.379 . . . . 10.0 111.528 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A 1899 ' ' SER . . . . . . . . . . . . . 8.2 t -127.96 165.81 19.54 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.929 1.692 . . . . 10.0 110.26 169.138 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1900 ' ' LEU . . . . . 0.42 HD21 HG21 ' A' 1922 ' ' VAL . 1.0 OUTLIER -154.99 173.46 16.54 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 113.975 1.102 . . . . 10.0 113.975 172.338 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A 1901 ' ' ALA . . . . . . . . . . . . . . . -145.66 169.32 18.7 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.312 1.445 . . . . 10.0 111.482 168.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1902 ' ' ILE . . . . . . . . . . . . . 2.0 mp -125.52 129.38 72.84 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 126.511 1.924 . . . . 10.0 108.574 170.239 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1903 ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -127.97 177.09 7.11 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 126.489 1.916 . . . . 10.0 110.669 176.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1904 ' ' GLY . . . . . . . . . . . . . . . 154.61 -129.63 2.64 Favored Glycine 0 CA--C 1.53 0.983 0 C-N-CA 125.994 1.759 . . . . 10.0 111.257 174.835 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1905 ' ' PRO . . . . . . . . . . . . . 26.3 Cg_endo -76.27 -12.57 19.07 Favored 'Trans proline' 0 CA--C 1.544 1.02 0 C-N-CA 123.623 2.882 . . . . 10.0 112.993 170.138 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1906 ' ' SER . . . . . . . . . . . . . 16.1 t -156.81 176.79 12.27 Favored 'General case' 0 C--O 1.242 0.669 0 C-N-CA 128.107 2.563 . . . . 10.0 110.034 -166.726 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1907 ' ' LYS . . . . . . . . . . . . . 58.8 mttp -130.68 107.81 9.44 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 126.312 1.845 . . . . 10.0 110.208 177.114 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1908 ' ' ALA . . . . . . . . . . . . . . . -64.43 155.24 33.23 Favored 'General case' 0 CA--C 1.554 1.127 0 C-N-CA 124.355 1.062 . . . . 10.0 112.031 173.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1909 ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -77.84 97.98 5.43 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 124.142 0.977 . . . . 10.0 110.808 174.066 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1910 ' ' ILE . . . . . . . . . . . . . 22.2 mt -76.16 130.46 36.2 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.023 0 C-N-CA 124.939 1.296 . . . . 10.0 110.98 -178.147 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1911 ' ' SER . . . . . . . . . . . . . 26.5 m -131.35 155.12 47.79 Favored 'General case' 0 N--CA 1.466 0.375 0 C-N-CA 127.81 2.444 . . . . 10.0 111.522 173.58 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1912 ' ' CYS . . . . . . . . . . . . . 27.9 p -152.41 171.81 17.47 Favored 'General case' 0 CA--C 1.555 1.158 0 C-N-CA 124.581 1.153 . . . . 10.0 111.78 173.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1913 ' ' THR . . . . . . . . . . . . . 52.8 m -134.97 134.02 40.1 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 125.016 1.326 . . . . 10.0 109.544 177.014 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1914 ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -72.63 40.04 0.08 Allowed 'General case' 0 CA--C 1.558 1.275 0 C-N-CA 129.082 2.953 . . . . 10.0 114.489 -178.203 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1915 ' ' ASN . . . . . . . . . . . . . 58.4 t30 -61.71 117.37 5.72 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 125.641 1.576 . . . . 10.0 111.922 -177.488 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1916 ' ' GLN . . . . . . . . . . . . . 69.3 mm-40 -68.56 4.39 1.42 Allowed 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 125.469 1.507 . . . . 10.0 114.363 178.496 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1917 ' ' ASP . . . . . . . . . . . . . 15.9 t70 -75.18 -6.1 47.9 Favored 'General case' 0 C--O 1.245 0.834 0 CA-C-N 119.833 1.197 . . . . 10.0 112.452 168.18 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1918 ' ' GLY . . . . . . . . . . . . . . . 96.22 -2.02 63.08 Favored Glycine 0 CA--C 1.54 1.648 0 C-N-CA 125.583 1.563 . . . . 10.0 114.552 179.188 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1919 ' ' THR . . . . . . . . . . . . . 35.9 p -79.31 128.78 33.75 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 121.246 -1.149 . . . . 10.0 112.16 179.023 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1920 ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -94.5 75.9 3.83 Favored 'General case' 0 C--O 1.237 0.417 0 N-CA-C 107.091 -1.448 . . . . 10.0 107.091 168.674 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1921 ' ' SER . . . . . . . . . . . . . 40.4 m -69.73 69.11 0.28 Allowed 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 126.611 1.965 . . . . 10.0 112.99 -169.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1922 ' ' VAL . . . . . 0.42 HG21 HD21 ' A' 1900 ' ' LEU . 53.7 t -70.02 123.39 23.73 Favored 'Isoleucine or valine' 0 C--O 1.245 0.85 0 C-N-CA 126.21 1.804 . . . . 10.0 110.918 177.727 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1923 ' ' SER . . . . . . . . . . . . . 80.4 p -123.87 148.92 46.38 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 125.275 1.43 . . . . 10.0 110.699 167.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1924 ' ' TYR . . . . . . . . . . . . . 12.0 p90 -157.56 172.16 19.06 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.714 1.206 . . . . 10.0 110.839 -176.51 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1925 ' ' LEU . . . . . . . . . . . . . 1.3 mt -140.52 92.92 8.94 Favored Pre-proline 0 CA--C 1.538 0.514 0 C-N-CA 124.117 0.967 . . . . 10.0 110.218 -174.739 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1926 ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -67.56 118.08 5.33 Favored 'Trans proline' 0 CA--C 1.533 0.435 0 C-N-CA 122.304 2.003 . . . . 10.0 112.371 173.015 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1927 ' ' VAL . . . . . . . . . . . . . 27.0 m -92.35 -6.21 10.66 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 O-C-N 120.638 -1.289 . . . . 10.0 113.982 -175.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1928 ' ' LEU . . . . . . . . . . . . . 2.7 tt -140.98 131.25 13.25 Favored Pre-proline 0 CA--C 1.543 0.678 0 C-N-CA 125.704 1.602 . . . . 10.0 112.49 -175.742 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1929 ' ' PRO . . . . . . . . . . . . . 19.1 Cg_exo -56.42 124.01 15.23 Favored 'Trans proline' 0 CA--C 1.543 0.947 0 C-N-CA 123.567 2.845 . . . . 10.0 113.182 177.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1930 ' ' GLY . . . . . . . . . . . . . . . -166.19 175.6 41.66 Favored Glycine 0 N--CA 1.479 1.503 0 N-CA-C 117.0 1.56 . . . . 10.0 117.0 -169.349 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1931 ' ' ASP . . . . . . . . . . . . . 81.2 m-20 -108.92 76.49 1.01 Allowed 'General case' 0 C--O 1.245 0.861 0 C-N-CA 126.844 2.058 . . . . 10.0 108.613 175.403 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1932 ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -74.21 151.15 40.02 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 120.9 -1.125 . . . . 10.0 111.467 -171.437 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1933 ' ' SER . . . . . . . . . . . . . 67.5 m -103.56 122.71 45.53 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 125.555 1.542 . . . . 10.0 110.506 171.764 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1934 ' ' ILE . . . . . . . . . . . . . 16.6 mm -85.83 109.98 19.17 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.67 0 N-CA-C 108.603 -0.888 . . . . 10.0 108.603 167.379 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1935 ' ' LEU . . . . . . . . . . . . . 2.6 mm? -89.45 84.04 6.39 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.8 1.24 . . . . 10.0 109.365 179.422 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1936 ' ' VAL . . . . . . . . . . . . . 22.0 t -80.81 98.35 3.71 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.228 0 O-C-N 120.543 -1.348 . . . . 10.0 110.98 178.189 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1937 ' ' LYS . . . . . . . . . . . . . 29.7 mtpt -99.84 84.25 2.87 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 128.182 2.593 . . . . 10.0 112.296 -175.186 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1938 ' ' TYR . . . . . . . . . . . . . 59.4 t80 -69.61 102.88 1.95 Allowed 'General case' 0 C--O 1.241 0.64 0 C-N-CA 123.497 0.719 . . . . 10.0 110.486 171.339 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1939 ' ' ASN . . . . . . . . . . . . . 14.7 t-20 50.32 62.49 2.65 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 125.561 1.544 . . . . 10.0 113.536 -169.441 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1940 ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 62.45 11.21 4.48 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 127.348 2.259 . . . . 10.0 116.167 171.365 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1941 ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -136.83 146.29 45.46 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.459 1.104 . . . . 10.0 110.614 169.439 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1942 ' ' HIS . . . . . . . . . . . . . 60.5 m-70 -65.83 143.03 57.73 Favored 'General case' 0 C--O 1.247 0.968 0 O-C-N 120.567 -1.333 . . . . 10.0 114.566 -169.511 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1943 ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -67.34 165.47 28.46 Favored Pre-proline 0 CA--C 1.544 0.722 0 C-N-CA 126.662 1.985 . . . . 10.0 112.671 174.739 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1944 ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -54.41 111.85 0.83 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 C-N-CA 125.136 3.891 . . . . 10.0 111.614 -176.175 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1945 ' ' GLY . . . . . . . . . . . . . . . 85.59 -2.63 87.89 Favored Glycine 0 CA--C 1.552 2.382 0 C-N-CA 125.986 1.755 . . . . 10.0 117.01 176.694 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1946 ' ' SER . . . . . . . . . . . . . 2.0 m -67.36 158.37 82.29 Favored Pre-proline 0 N--CA 1.483 1.208 0 CA-C-N 119.525 1.663 . . . . 10.0 112.602 172.333 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1947 ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -75.96 169.33 74.77 Favored 'Cis proline' 0 CA--C 1.547 1.161 0 N-CA-C 115.525 1.317 . . . . 10.0 115.525 -2.622 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1948 ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -107.09 117.17 33.35 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.797 1.639 . . . . 10.0 111.507 177.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1949 ' ' THR . . . . . . . . . . . . . 29.3 m -75.53 95.44 3.31 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 126.484 1.914 . . . . 10.0 111.22 177.005 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1950 ' ' ALA . . . . . . . . . . . . . . . -88.78 103.02 15.58 Favored 'General case' 0 C--O 1.243 0.743 0 C-N-CA 127.332 2.253 . . . . 10.0 113.846 178.359 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1951 ' ' ARG . . . . . . . . . . . . . 17.2 ttm180 -82.23 80.99 8.29 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 125.061 1.344 . . . . 10.0 112.702 -179.347 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1952 ' ' VAL . . . . . . . . . . . . . 3.0 t -59.22 100.13 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.548 0.901 0 C-N-CA 127.78 2.432 . . . . 10.0 112.731 169.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1953 ' ' THR . . . . . . . . . . . . . 7.2 t -73.75 151.48 40.64 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-O 121.229 0.537 . . . . 10.0 111.586 169.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1954 ' ' GLY . . . . . . . . . . . . . . . -117.21 161.21 13.22 Favored Glycine 0 CA--C 1.538 1.509 0 C-N-CA 125.337 1.446 . . . . 10.0 114.353 -175.013 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1955 ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -99.44 -5.74 28.88 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 126.348 1.859 . . . . 10.0 114.997 172.001 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1956 ' ' ASP . . . . . . . . . . . . . 28.4 t70 . . . . . 0 N--CA 1.484 1.25 0 C-N-CA 128.136 2.574 . . . . 10.0 112.75 -179.004 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A 1868 ' ' VAL . . . . . . . . . . . . . 14.1 p . . . . . 0 CA--C 1.546 0.795 0 N-CA-C 113.008 0.744 . . . . 10.0 113.008 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A 1869 ' ' THR . . . . . . . . . . . . . 49.7 p -145.83 164.22 32.6 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 126.41 1.884 . . . . 10.0 111.408 -179.416 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1870 ' ' ALA . . . . . . . . . . . . . . . -135.43 135.4 40.54 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.637 1.575 . . . . 10.0 110.515 173.684 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1871 ' ' TYR . . . . . . . . . . . . . 36.0 p90 -161.3 166.9 26.86 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.234 1.414 . . . . 10.0 112.111 -178.247 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1872 ' ' GLY . . . . . . . . . . . . . . . 133.08 170.4 12.44 Favored Glycine 0 CA--C 1.544 1.866 0 C-N-CA 126.025 1.774 . . . . 10.0 114.163 171.69 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1873 ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -73.31 -19.32 22.44 Favored 'Trans proline' 0 CA--C 1.546 1.101 0 C-N-CA 124.003 3.136 . . . . 10.0 112.993 -174.394 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1874 ' ' GLY . . . . . . . . . . . . . . . -58.96 -34.6 79.42 Favored Glycine 0 N--CA 1.476 1.31 0 O-C-N 120.781 -1.199 . . . . 10.0 113.622 172.826 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1875 ' ' LEU . . . . . . . . . . . . . 21.4 mt -70.85 -4.93 26.79 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 124.481 1.112 . . . . 10.0 113.754 174.313 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1876 ' ' THR . . . . . . . . . . . . . 46.7 m -114.61 -41.82 3.36 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 126.854 2.062 . . . . 10.0 113.253 176.186 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1877 ' ' HIS . . . . . . . . . . . . . 35.7 m80 -133.33 143.04 48.75 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.828 1.251 . . . . 10.0 113.087 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1878 ' ' GLY . . . . . . . . . . . . . . . -123.26 168.44 15.46 Favored Glycine 0 CA--C 1.547 2.093 0 C-N-CA 125.013 1.292 . . . . 10.0 113.38 177.002 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1879 ' ' VAL . . . . . . . . . . . . . 21.6 t -137.04 110.19 8.12 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 C-N-CA 125.23 1.412 . . . . 10.0 109.934 175.057 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1880 ' ' VAL . . . . . . . . . . . . . 58.3 t -55.38 127.96 14.95 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 C-N-CA 124.434 1.094 . . . . 10.0 110.967 -177.509 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1881 ' ' ASN . . . . . . . . . . . . . 81.2 m-20 64.27 15.11 9.19 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 127.558 2.343 . . . . 10.0 115.941 -177.257 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1882 ' ' LYS . . . . . 0.441 ' HA ' ' HD3' ' A' 1883 ' ' PRO . 47.5 tptt -125.14 134.45 25.76 Favored Pre-proline 0 C--N 1.355 0.814 0 CA-C-N 120.531 1.514 . . . . 10.0 111.274 170.202 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1883 ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' 1882 ' ' LYS . 31.6 Cg_exo -56.94 110.52 0.6 Allowed 'Trans proline' 0 C--N 1.358 1.056 0 C-N-CA 123.453 2.769 . . . . 10.0 113.281 -169.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1884 ' ' ALA . . . . . . . . . . . . . . . -81.16 153.36 27.29 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-O 122.104 0.954 . . . . 10.0 110.739 172.261 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1885 ' ' THR . . . . . . . . . . . . . 58.2 p -147.53 153.87 40.02 Favored 'General case' 0 N--CA 1.483 1.22 0 O-C-N 120.145 -1.597 . . . . 10.0 113.322 -176.25 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1886 ' ' PHE . . . . . . . . . . . . . 42.0 p90 -148.3 169.44 20.12 Favored 'General case' 0 C--O 1.239 0.548 0 C-N-CA 124.784 1.234 . . . . 10.0 112.401 167.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1887 ' ' THR . . . . . . . . . . . . . 93.8 m -103.12 131.4 50.16 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.977 1.311 . . . . 10.0 111.018 -174.106 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1888 ' ' VAL . . . . . . . . . . . . . 2.8 m -129.77 147.3 33.27 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.334 0 C-N-CA 125.594 1.558 . . . . 10.0 108.868 168.71 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1889 ' ' ASN . . . . . . . . . . . . . 3.4 t30 -129.96 76.82 1.75 Allowed 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.497 1.519 . . . . 10.0 111.521 -166.244 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 14.6 p -81.57 95.76 7.25 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 128.448 2.699 . . . . 10.0 111.643 -175.848 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1891 ' ' LYS . . . . . . . . . . . . . 60.5 pttt -57.8 -28.26 63.85 Favored 'General case' 0 N--CA 1.482 1.175 0 N-CA-C 113.167 0.802 . . . . 10.0 113.167 176.802 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 26.9 t70 -142.46 -66.55 0.39 Allowed 'General case' 0 CA--C 1.557 1.216 0 C-N-CA 125.045 1.338 . . . . 10.0 112.372 170.733 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1893 ' ' ALA . . . . . . . . . . . . . . . 55.66 -55.16 0.02 OUTLIER 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 128.721 2.808 . . . . 10.0 116.527 -174.097 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 2.035 0 C-N-CA 125.399 1.476 . . . . 10.0 113.703 177.495 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A 1898 ' ' LEU . . . . . . . . . . . . . 3.3 tt . . . . . 0 CA--C 1.544 0.714 0 N-CA-C 111.626 0.232 . . . . 10.0 111.626 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A 1899 ' ' SER . . . . . . . . . . . . . 19.8 t -132.25 150.84 52.07 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 126.192 1.797 . . . . 10.0 111.954 176.346 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1900 ' ' LEU . . . . . 0.401 HD11 HG21 ' A' 1922 ' ' VAL . 72.7 mt -127.44 156.79 41.54 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 114.844 1.424 . . . . 10.0 114.844 -174.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1901 ' ' ALA . . . . . . . . . . . . . . . -152.84 159.67 43.05 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 125.417 1.487 . . . . 10.0 108.871 165.817 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1902 ' ' ILE . . . . . . . . . . . . . 1.1 mp -127.55 144.58 37.01 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.639 0 C-N-CA 126.148 1.779 . . . . 10.0 109.134 177.375 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1903 ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -123.8 161.18 25.77 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 125.491 1.517 . . . . 10.0 111.915 168.708 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1904 ' ' GLY . . . . . . . . . . . . . . . 153.12 -164.25 30.84 Favored Glycine 0 CA--C 1.54 1.618 0 C-N-CA 124.836 1.208 . . . . 10.0 112.865 -169.518 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1905 ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -71.48 -16.41 30.74 Favored 'Trans proline' 0 C--N 1.363 1.311 0 C-N-CA 122.594 2.196 . . . . 10.0 111.911 171.788 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1906 ' ' SER . . . . . . . . . . . . . 11.3 t -154.26 153.91 32.52 Favored 'General case' 0 C--O 1.243 0.751 0 C-N-CA 128.063 2.545 . . . . 10.0 110.976 -166.691 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1907 ' ' LYS . . . . . . . . . . . . . 99.4 mttt -99.92 134.97 42.04 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.984 0.914 . . . . 10.0 110.867 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1908 ' ' ALA . . . . . . . . . . . . . . . -71.9 165.16 24.72 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.777 0.831 . . . . 10.0 112.802 172.526 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1909 ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -106.43 104.11 13.73 Favored 'General case' 0 CA--C 1.553 1.092 0 C-N-CA 125.438 1.495 . . . . 10.0 109.354 171.599 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1910 ' ' ILE . . . . . . . . . . . . . 52.4 mt -95.54 142.75 13.2 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.151 0 C-N-CA 125.322 1.449 . . . . 10.0 113.145 -167.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1911 ' ' SER . . . . . . . . . . . . . 52.1 m -143.33 171.13 14.54 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 129.453 3.101 . . . . 10.0 111.117 176.353 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1912 ' ' CYS . . . . . . . . . . . . . 25.5 p -150.7 163.53 38.33 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 125.258 1.423 . . . . 10.0 113.468 179.074 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1913 ' ' THR . . . . . . . . . . . . . 79.0 m -144.73 120.51 10.55 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.186 0.994 . . . . 10.0 110.628 -179.256 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1914 ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -72.39 94.43 1.63 Allowed 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 123.513 0.725 . . . . 10.0 110.188 168.833 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1915 ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -82.9 162.71 21.48 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-O 122.661 1.219 . . . . 10.0 112.219 -178.736 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1916 ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -61.75 -24.7 66.99 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 127.136 2.175 . . . . 10.0 114.328 -178.559 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1917 ' ' ASP . . . . . . . . . . . . . 26.9 t70 -82.24 -3.8 55.83 Favored 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 125.352 1.461 . . . . 10.0 112.56 176.713 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1918 ' ' GLY . . . . . . . . . . . . . . . 88.39 1.89 80.55 Favored Glycine 0 CA--C 1.538 1.498 0 C-N-CA 124.823 1.202 . . . . 10.0 114.095 179.186 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1919 ' ' THR . . . . . . . . . . . . . 18.2 p -70.2 158.26 36.14 Favored 'General case' 0 C--O 1.242 0.661 0 C-N-CA 126.014 1.725 . . . . 10.0 111.874 171.645 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1920 ' ' CYS . . . . . . . . . . . . . 1.7 t -102.62 9.12 39.53 Favored 'General case' 0 CA--C 1.559 1.316 0 C-N-CA 124.475 1.11 . . . . 10.0 112.883 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1921 ' ' SER . . . . . . . . . . . . . 50.1 m 12.86 79.18 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.101 1 C-N-CA 132.161 4.185 . . . . 10.0 114.928 -179.478 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1922 ' ' VAL . . . . . 0.401 HG21 HD11 ' A' 1900 ' ' LEU . 78.7 t -63.81 129.02 27.06 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 C-N-CA 123.541 0.736 . . . . 10.0 111.05 173.574 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1923 ' ' SER . . . . . . . . . . . . . 49.0 m -125.49 141.8 51.85 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 125.884 1.673 . . . . 10.0 110.176 169.75 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1924 ' ' TYR . . . . . . . . . . . . . 17.2 p90 -149.33 165.22 32.63 Favored 'General case' 0 C--O 1.235 0.322 0 O-C-N 121.634 -0.667 . . . . 10.0 111.985 -178.797 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1925 ' ' LEU . . . . . . . . . . . . . 4.2 mt -131.29 107.91 14.81 Favored Pre-proline 0 CA--C 1.547 0.843 0 O-C-N 121.511 -0.743 . . . . 10.0 110.807 -178.171 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1926 ' ' PRO . . . . . . . . . . . . . 80.2 Cg_endo -75.59 145.54 29.61 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 121.817 1.678 . . . . 10.0 109.594 168.512 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1927 ' ' VAL . . . . . . . . . . . . . 30.0 m -124.75 -6.13 6.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.925 0 C-N-CA 125.646 1.578 . . . . 10.0 114.586 -170.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1928 ' ' LEU . . . . . . . . . . . . . 5.2 tt -150.66 132.59 7.91 Favored Pre-proline 0 CA--C 1.554 1.111 0 C-N-CA 126.305 1.842 . . . . 10.0 110.472 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1929 ' ' PRO . . . . . . . . . . . . . 19.3 Cg_exo -55.03 133.81 60.2 Favored 'Trans proline' 0 C--N 1.353 0.796 0 C-N-CA 124.124 3.216 . . . . 10.0 113.558 -177.06 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1930 ' ' GLY . . . . . . . . . . . . . . . 177.43 178.73 47.28 Favored Glycine 0 CA--C 1.538 1.515 0 N-CA-C 116.75 1.46 . . . . 10.0 116.75 -178.246 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1931 ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -93.04 92.68 7.94 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 126.712 2.005 . . . . 10.0 110.134 174.707 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1932 ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -87.89 101.56 13.85 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.364 1.065 . . . . 10.0 110.281 -171.429 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1933 ' ' SER . . . . . . . . . . . . . 70.5 m -70.05 135.37 49.21 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 118.279 -0.867 . . . . 10.0 110.251 169.161 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1934 ' ' ILE . . . . . . . . . . . . . 7.5 mm -108.71 122.35 63.16 Favored 'Isoleucine or valine' 0 C--O 1.24 0.557 0 C-N-CA 125.475 1.51 . . . . 10.0 110.358 178.034 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1935 ' ' LEU . . . . . . . . . . . . . 2.7 mm? -113.09 79.54 1.25 Allowed 'General case' 0 C--O 1.236 0.384 0 C-N-CA 125.749 1.62 . . . . 10.0 109.001 -174.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1936 ' ' VAL . . . . . . . . . . . . . 20.6 t -81.48 125.17 39.55 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.268 0 O-C-N 121.064 -1.023 . . . . 10.0 109.016 175.664 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1937 ' ' LYS . . . . . . . . . . . . . 81.0 mttt -120.07 162.34 19.45 Favored 'General case' 0 C--O 1.241 0.639 0 C-N-CA 125.314 1.445 . . . . 10.0 112.017 170.73 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1938 ' ' TYR . . . . . . . . . . . . . 47.3 t80 -135.74 110.05 8.42 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 125.881 1.673 . . . . 10.0 110.695 170.24 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1939 ' ' ASN . . . . . . . . . . . . . 6.8 t30 65.59 -46.89 0.38 Allowed 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 129.132 2.973 . . . . 10.0 114.853 -176.16 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1940 ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -151.99 -29.93 0.16 Allowed 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 115.031 1.493 . . . . 10.0 115.031 -178.263 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1941 ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -123.58 160.27 27.41 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 125.547 1.539 . . . . 10.0 111.053 -168.437 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1942 ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -66.18 144.21 56.79 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-O 122.353 1.073 . . . . 10.0 111.453 179.4 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1943 ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -71.6 165.83 45.35 Favored Pre-proline 0 CA--C 1.55 0.977 0 C-N-CA 125.681 1.592 . . . . 10.0 112.332 -177.627 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1944 ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -55.62 110.43 0.55 Allowed 'Trans proline' 0 CA--C 1.538 0.708 0 C-N-CA 124.91 3.74 . . . . 10.0 111.82 -177.084 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1945 ' ' GLY . . . . . . . . . . . . . . . 91.49 -9.23 77.71 Favored Glycine 0 CA--C 1.534 1.221 0 C-N-CA 125.997 1.761 . . . . 10.0 115.695 -179.298 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1946 ' ' SER . . . . . . . . . . . . . 25.0 m -73.31 159.03 85.89 Favored Pre-proline 0 N--CA 1.482 1.148 0 CA-C-N 119.148 1.474 . . . . 10.0 112.653 173.036 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1947 ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -72.33 167.67 76.67 Favored 'Cis proline' 0 CA--C 1.552 1.391 0 CA-C-N 120.093 1.069 . . . . 10.0 113.198 -6.071 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1948 ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -121.55 165.92 14.97 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 126.971 2.108 . . . . 10.0 110.593 176.641 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1949 ' ' THR . . . . . . . . . . . . . 21.5 m -139.24 101.31 4.23 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 126.18 1.792 . . . . 10.0 111.243 176.609 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1950 ' ' ALA . . . . . . . . . . . . . . . -81.3 160.94 24.06 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.426 1.09 . . . . 10.0 112.669 172.685 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1951 ' ' ARG . . . . . . . . . . . . . 55.0 ttt180 -118.23 94.86 4.65 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 126.314 1.846 . . . . 10.0 111.118 171.831 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1952 ' ' VAL . . . . . . . . . . . . . 2.3 t -72.14 90.99 0.45 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.688 0 C-N-CA 126.345 1.858 . . . . 10.0 110.598 170.278 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1953 ' ' THR . . . . . . . . . . . . . 14.6 t -70.34 150.3 46.46 Favored 'General case' 0 N--CA 1.484 1.237 0 CA-C-O 120.852 0.358 . . . . 10.0 110.066 169.6 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1954 ' ' GLY . . . . . . . . . . . . . . . -123.48 141.36 13.61 Favored Glycine 0 CA--C 1.522 0.528 0 C-N-CA 124.999 1.285 . . . . 10.0 113.053 -170.199 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1955 ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -109.28 -4.73 16.24 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 126.588 1.955 . . . . 10.0 113.662 173.446 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1956 ' ' ASP . . . . . . . . . . . . . 38.6 t70 . . . . . 0 N--CA 1.478 0.929 0 C-N-CA 127.779 2.432 . . . . 10.0 113.278 176.836 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A 1868 ' ' VAL . . . . . . . . . . . . . 10.2 p . . . . . 0 CA--C 1.539 0.523 0 CA-C-O 122.473 1.13 . . . . 10.0 112.745 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A 1869 ' ' THR . . . . . . . . . . . . . 40.1 p -140.41 169.86 16.88 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 127.65 2.38 . . . . 10.0 109.84 176.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1870 ' ' ALA . . . . . . . . . . . . . . . -135.44 135.87 40.89 Favored 'General case' 0 CA--C 1.559 1.29 0 C-N-CA 124.55 1.14 . . . . 10.0 110.399 175.623 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1871 ' ' TYR . . . . . . . . . . . . . 50.8 p90 -155.99 167.74 29.45 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.753 1.621 . . . . 10.0 113.385 179.444 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1872 ' ' GLY . . . . . . . . . . . . . . . 131.36 165.36 11.42 Favored Glycine 0 C--N 1.349 1.3 0 C-N-CA 125.796 1.665 . . . . 10.0 114.402 176.803 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1873 ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -69.85 -27.32 26.18 Favored 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 123.087 2.525 . . . . 10.0 113.875 -176.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1874 ' ' GLY . . . . . . . . . . . . . . . -68.6 -6.38 49.49 Favored Glycine 0 CA--C 1.539 1.563 0 CA-C-O 118.506 -1.163 . . . . 10.0 115.839 178.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1875 ' ' LEU . . . . . . . . . . . . . 34.1 mt -90.09 -5.24 56.75 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 119.042 1.421 . . . . 10.0 112.812 169.309 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1876 ' ' THR . . . . . . . . . . . . . 23.8 m -129.38 -42.35 1.34 Allowed 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 124.626 1.17 . . . . 10.0 112.306 -168.858 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1877 ' ' HIS . . . . . . . . . . . . . 69.7 t60 -133.26 166.11 23.23 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 126.656 1.983 . . . . 10.0 110.959 177.04 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1878 ' ' GLY . . . . . . . . . . . . . . . -150.04 174.05 29.58 Favored Glycine 0 N--CA 1.471 1.022 0 C-N-CA 124.25 0.929 . . . . 10.0 113.341 -177.101 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1879 ' ' VAL . . . . . . . . . . . . . 14.2 p -148.26 147.04 17.38 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 C-N-CA 127.438 2.295 . . . . 10.0 107.595 175.739 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1880 ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -111.34 151.5 13.44 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 CA-C-O 122.611 1.196 . . . . 10.0 114.122 -167.338 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1881 ' ' ASN . . . . . . . . . . . . . 19.0 m120 57.99 11.65 1.53 Allowed 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 127.903 2.481 . . . . 10.0 115.181 -168.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1882 ' ' LYS . . . . . . . . . . . . . 8.0 pttt -137.39 162.11 56.97 Favored Pre-proline 0 CA--C 1.55 0.967 0 C-N-CA 126.212 1.805 . . . . 10.0 109.175 168.368 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1883 ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -69.99 153.81 67.47 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.131 1.887 . . . . 10.0 113.906 -172.768 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1884 ' ' ALA . . . . . . . . . . . . . . . -135.96 151.88 50.39 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 126.577 1.951 . . . . 10.0 110.44 168.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1885 ' ' THR . . . . . . . . . . . . . 27.9 p -149.6 163.02 39.02 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 121.198 -0.939 . . . . 10.0 113.17 -169.171 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1886 ' ' PHE . . . . . . . . . . . . . 48.6 p90 -146.82 176.49 9.84 Favored 'General case' 0 C--O 1.241 0.656 0 C-N-CA 124.692 1.197 . . . . 10.0 111.446 169.236 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1887 ' ' THR . . . . . . . . . . . . . 43.1 m -119.05 135.57 54.57 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 125.603 1.561 . . . . 10.0 111.155 -173.192 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1888 ' ' VAL . . . . . . . . . . . . . 1.3 m -139.45 153.71 24.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 126.205 1.802 . . . . 10.0 108.544 170.646 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1889 ' ' ASN . . . . . . . . . . . . . 44.4 t30 -141.35 90.03 2.27 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 114.732 -1.122 . . . . 10.0 112.957 -168.471 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 9.3 p -80.15 2.87 22.48 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.609 1.564 . . . . 10.0 114.968 -175.244 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1891 ' ' LYS . . . . . . . . . . . . . 24.0 mtpt -60.84 135.3 57.74 Favored 'General case' 0 N--CA 1.473 0.719 0 O-C-N 121.03 -1.044 . . . . 10.0 111.742 177.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 20.2 m-20 55.17 15.55 1.31 Allowed 'General case' 0 CA--C 1.559 1.296 0 C-N-CA 128.985 2.914 . . . . 10.0 114.507 179.074 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1893 ' ' ALA . . . . . . . . . . . . . . . -67.58 -23.51 65.4 Favored 'General case' 0 C--N 1.352 0.693 0 N-CA-C 115.208 1.559 . . . . 10.0 115.208 -178.671 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.055 0 CA-C-O 123.286 1.492 . . . . 10.0 112.187 -177.014 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A 1898 ' ' LEU . . . . . . . . . . . . . 7.0 tt . . . . . 0 C--O 1.24 0.589 0 CA-C-O 120.91 0.386 . . . . 10.0 111.416 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A 1899 ' ' SER . . . . . . . . . . . . . 35.6 t -135.83 133.59 37.97 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 125.024 1.33 . . . . 10.0 110.223 171.428 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1900 ' ' LEU . . . . . . . . . . . . . 3.2 pp -141.83 167.15 22.83 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 124.895 1.278 . . . . 10.0 114.034 170.596 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1901 ' ' ALA . . . . . . . . . . . . . . . -148.42 164.02 35.36 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.308 1.443 . . . . 10.0 111.754 170.036 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1902 ' ' ILE . . . . . . . . . . . . . 1.4 mp -114.99 144.95 21.4 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 C-N-CA 124.997 1.319 . . . . 10.0 109.241 168.668 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1903 ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -129.12 160.07 34.01 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 126.221 1.809 . . . . 10.0 110.929 173.24 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1904 ' ' GLY . . . . . . . . . . . . . . . 163.57 -173.86 39.72 Favored Glycine 0 N--CA 1.474 1.171 0 C-N-CA 124.092 0.853 . . . . 10.0 112.959 -173.491 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1905 ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -72.71 -27.23 15.27 Favored 'Trans proline' 0 N--CA 1.483 0.898 0 C-N-CA 123.06 2.507 . . . . 10.0 112.927 178.711 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1906 ' ' SER . . . . . . . . . . . . . 7.8 t -145.39 47.03 1.3 Allowed 'General case' 0 N--CA 1.481 1.077 0 CA-C-O 124.163 1.935 . . . . 10.0 111.799 -165.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1907 ' ' LYS . . . . . . . . . . . . . 88.5 tttt -28.84 110.7 0.05 Allowed 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 130.551 3.54 . . . . 10.0 113.886 -174.429 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1908 ' ' ALA . . . . . . . . . . . . . . . -65.94 153.12 42.94 Favored 'General case' 0 C--O 1.243 0.714 0 C-N-CA 125.826 1.65 . . . . 10.0 112.545 177.507 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1909 ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -76.01 140.64 42.07 Favored 'General case' 0 CA--C 1.552 1.047 0 O-C-N 121.75 -0.594 . . . . 10.0 112.056 172.11 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1910 ' ' ILE . . . . . . . . . . . . . 32.9 mm -85.09 132.96 30.46 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.681 0 C-N-CA 125.233 1.413 . . . . 10.0 111.068 178.743 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1911 ' ' SER . . . . . . . . . . . . . 8.7 t -144.53 173.44 11.8 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 126.696 1.998 . . . . 10.0 110.515 169.481 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1912 ' ' CYS . . . . . . . . . . . . . 30.1 p -150.44 175.09 12.19 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 120.004 1.275 . . . . 10.0 112.836 173.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1913 ' ' THR . . . . . . . . . . . . . 15.2 t -60.24 150.08 31.25 Favored 'General case' 0 C--O 1.247 0.972 0 O-C-N 121.76 -0.588 . . . . 10.0 111.188 171.047 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1914 ' ' ASP . . . . . . . . . . . . . 33.8 t70 -66.92 -60.03 3.0 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.355 0.662 . . . . 10.0 110.865 171.216 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1915 ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -165.03 164.8 20.44 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 127.214 2.206 . . . . 10.0 110.788 167.2 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1916 ' ' GLN . . . . . . . . . . . . . 57.7 tp60 -150.36 -56.11 0.17 Allowed 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.378 1.471 . . . . 10.0 109.589 171.49 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1917 ' ' ASP . . . . . . . . . . . . . 35.7 t70 -146.86 -20.52 0.41 Allowed 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 114.3 1.222 . . . . 10.0 114.3 -178.21 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1918 ' ' GLY . . . . . . . . . . . . . . . 136.43 8.45 1.52 Allowed Glycine 0 CA--C 1.543 1.784 0 C-N-CA 125.727 1.632 . . . . 10.0 114.544 -172.04 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1919 ' ' THR . . . . . . . . . . . . . 20.0 p -66.86 168.94 8.85 Favored 'General case' 0 C--O 1.243 0.726 0 C-N-CA 126.802 2.041 . . . . 10.0 113.109 168.764 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1920 ' ' CYS . . . . . . . . . . . . . 4.1 t -121.72 15.92 11.05 Favored 'General case' 0 CA--C 1.556 1.209 0 C-N-CA 125.594 1.558 . . . . 10.0 111.852 173.624 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1921 ' ' SER . . . . . . . . . . . . . 63.0 m -37.46 103.25 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 128.438 2.695 . . . . 10.0 114.912 -167.409 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1922 ' ' VAL . . . . . . . . . . . . . 53.4 t -80.93 141.02 15.78 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 C-N-CA 126.016 1.726 . . . . 10.0 111.624 -173.728 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1923 ' ' SER . . . . . . . . . . . . . 55.4 m -127.26 140.78 51.99 Favored 'General case' 0 C--O 1.241 0.607 0 C-N-CA 127.487 2.315 . . . . 10.0 111.704 178.781 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1924 ' ' TYR . . . . . . . . . . . . . 24.4 p90 -140.38 168.57 19.5 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 125.342 1.457 . . . . 10.0 111.196 177.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1925 ' ' LEU . . . . . . . . . . . . . 1.1 tt -150.88 85.39 5.17 Favored Pre-proline 0 N--CA 1.481 1.096 0 O-C-N 120.791 -1.193 . . . . 10.0 109.681 -173.637 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1926 ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -74.48 158.2 44.35 Favored 'Trans proline' 0 N--CA 1.454 -0.821 0 C-N-CA 122.472 2.114 . . . . 10.0 111.37 -173.287 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1927 ' ' VAL . . . . . . . . . . . . . 35.5 m -124.72 -11.37 5.96 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 N-CA-C 114.325 1.231 . . . . 10.0 114.325 -173.402 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1928 ' ' LEU . . . . . . . . . . . . . 4.1 tt -142.38 130.48 11.57 Favored Pre-proline 0 CA--C 1.558 1.283 0 C-N-CA 125.549 1.54 . . . . 10.0 110.233 169.704 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1929 ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo -54.34 162.22 4.64 Favored 'Trans proline' 0 CA--C 1.536 0.612 0 C-N-CA 124.228 3.285 . . . . 10.0 116.097 -178.527 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1930 ' ' GLY . . . . . . . . . . . . . . . 161.98 -177.04 38.36 Favored Glycine 0 C--N 1.346 1.12 0 O-C-N 120.796 -1.19 . . . . 10.0 115.194 -171.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1931 ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -100.65 96.01 7.06 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.139 1.376 . . . . 10.0 109.271 174.651 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1932 ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -89.63 99.1 12.17 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 126.659 1.984 . . . . 10.0 112.036 -172.133 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1933 ' ' SER . . . . . . . . . . . . . 67.0 m -68.62 144.08 54.61 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.006 0.522 . . . . 10.0 110.984 175.81 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1934 ' ' ILE . . . . . . . . . . . . . 2.4 mm -121.9 116.05 48.16 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.854 0 C-N-CA 126.838 2.055 . . . . 10.0 109.391 175.43 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1935 ' ' LEU . . . . . . . . . . . . . 2.7 mm? -109.78 79.33 1.2 Allowed 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 125.369 1.468 . . . . 10.0 111.392 -169.835 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1936 ' ' VAL . . . . . . . . . . . . . 4.6 t -92.71 125.13 45.33 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.294 0 C-N-CA 123.925 0.89 . . . . 10.0 111.324 -174.091 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1937 ' ' LYS . . . . . . . . . . . . . 51.5 mttp -126.31 155.82 41.39 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 125.995 1.718 . . . . 10.0 114.014 174.065 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1938 ' ' TYR . . . . . . . . . . . . . 18.8 t80 -144.35 127.93 17.07 Favored 'General case' 0 C--O 1.239 0.539 0 C-N-CA 125.22 1.408 . . . . 10.0 108.18 169.022 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1939 ' ' ASN . . . . . . . . . . . . . 48.0 t30 48.59 63.96 1.88 Allowed 'General case' 0 CA--C 1.555 1.138 0 C-N-CA 126.051 1.741 . . . . 10.0 113.102 -171.593 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1940 ' ' GLU . . . . . . . . . . . . 0.324 10.9 pt-20 52.72 9.53 0.12 Allowed 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 130.432 3.493 . . . . 10.0 117.767 179.654 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1941 ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -127.95 151.34 49.23 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 126.732 2.013 . . . . 10.0 109.98 -178.342 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1942 ' ' HIS . . . . . . . . . . . . . 73.3 m-70 -64.61 149.55 48.67 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-N 120.983 1.719 . . . . 10.0 113.123 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1943 ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -68.82 165.9 32.61 Favored Pre-proline 0 CA--C 1.542 0.663 0 C-N-CA 125.966 1.706 . . . . 10.0 112.499 174.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1944 ' ' PRO . . . . . . . . . . . . . 57.5 Cg_exo -54.15 101.0 0.07 OUTLIER 'Trans proline' 0 CA--C 1.55 1.298 1 C-N-CA 126.079 4.519 . . . . 10.0 113.007 -177.097 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1945 ' ' GLY . . . . . . . . . . . . . . . 95.66 -6.05 67.36 Favored Glycine 0 CA--C 1.535 1.308 0 C-N-CA 125.991 1.758 . . . . 10.0 116.086 179.074 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1946 ' ' SER . . . . . . . . . . . . . 48.7 m -75.34 159.77 81.36 Favored Pre-proline 0 CA--C 1.553 1.064 0 C-N-CA 124.669 1.187 . . . . 10.0 113.09 175.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1947 ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -70.63 164.87 80.62 Favored 'Cis proline' 0 N--CA 1.492 1.4 0 CA-C-N 119.978 1.028 . . . . 10.0 112.475 -3.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1948 ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -119.5 165.63 14.15 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 126.186 1.794 . . . . 10.0 111.601 176.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1949 ' ' THR . . . . . . . . . . . . . 52.3 m -145.16 107.91 4.47 Favored 'General case' 0 N--CA 1.483 1.207 0 O-C-N 120.75 -1.219 . . . . 10.0 109.662 171.609 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1950 ' ' ALA . . . . . . . . . . . . . . . -78.04 160.78 27.91 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 123.829 0.852 . . . . 10.0 112.095 171.751 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1951 ' ' ARG . . . . . . . . . . . . . 53.4 ttt85 -127.89 95.99 4.37 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 113.649 0.981 . . . . 10.0 113.649 173.268 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1952 ' ' VAL . . . . . . . . . . . . . 26.0 t -57.57 134.89 22.01 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 129.048 2.939 . . . . 10.0 112.581 171.485 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1953 ' ' THR . . . . . . . . . . . . . 6.7 t -109.04 158.94 17.26 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.832 1.253 . . . . 10.0 112.02 171.247 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1954 ' ' GLY . . . . . . . . . . . . . . . -88.0 166.7 35.62 Favored Glycine 0 CA--C 1.542 1.77 0 N-CA-C 116.851 1.5 . . . . 10.0 116.851 -169.584 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1955 ' ' ASP . . . . . . . . . . . . . 25.7 t70 -75.24 -38.92 60.38 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.891 1.276 . . . . 10.0 111.72 172.537 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1956 ' ' ASP . . . . . . . . . . . . . 35.0 t70 . . . . . 0 C--O 1.249 1.053 0 C-N-CA 125.843 1.657 . . . . 10.0 112.63 175.04 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A 1868 ' ' VAL . . . . . . . . . . . . . 6.3 p . . . . . 0 N--CA 1.482 1.158 0 N-CA-C 109.696 -0.483 . . . . 10.0 109.696 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A 1869 ' ' THR . . . . . . . . . . . . . 64.9 p -142.59 159.26 42.59 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.651 0.781 . . . . 10.0 109.954 179.558 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1870 ' ' ALA . . . . . . . . . . . . . . . -120.76 138.17 54.14 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 124.068 0.947 . . . . 10.0 110.763 176.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1871 ' ' TYR . . . . . . . . . . . . . 49.6 p90 -154.43 153.18 31.12 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.884 1.274 . . . . 10.0 112.314 -175.624 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1872 ' ' GLY . . . . . . . . . . . . . . . 139.6 167.23 10.91 Favored Glycine 0 N--CA 1.478 1.476 0 C-N-CA 126.283 1.896 . . . . 10.0 112.57 -179.04 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1873 ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -66.15 -25.97 50.25 Favored 'Trans proline' 0 N--CA 1.478 0.57 0 C-N-CA 122.966 2.444 . . . . 10.0 111.622 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1874 ' ' GLY . . . . . . . . . . . . . . . -64.44 -7.36 26.21 Favored Glycine 0 CA--C 1.532 1.154 0 N-CA-C 116.582 1.393 . . . . 10.0 116.582 178.26 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1875 ' ' LEU . . . . . . . . . . . . . 72.1 mt -92.91 -11.55 33.16 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 119.082 1.441 . . . . 10.0 113.491 173.604 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1876 ' ' THR . . . . . . . . . . . . . 75.1 p -126.98 -28.81 2.86 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 114.529 1.307 . . . . 10.0 114.529 -176.357 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1877 ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -138.58 174.25 10.73 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 126.601 1.96 . . . . 10.0 110.679 178.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1878 ' ' GLY . . . . . . . . . . . . . . . -160.99 176.43 37.58 Favored Glycine 0 CA--C 1.54 1.649 0 O-C-N 121.161 -0.962 . . . . 10.0 113.535 176.05 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1879 ' ' VAL . . . . . . . . . . . . . 7.2 p -138.24 144.3 30.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 124.853 1.261 . . . . 10.0 110.994 174.791 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1880 ' ' VAL . . . . . . . . . . . . . 82.7 t -92.59 143.14 12.01 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 C-N-CA 127.005 2.122 . . . . 10.0 112.028 -169.1 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1881 ' ' ASN . . . . . . . . . . . . . 72.8 m-20 57.49 10.81 1.05 Allowed 'General case' 0 CA--C 1.554 1.112 0 C-N-CA 128.909 2.884 . . . . 10.0 116.662 179.192 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1882 ' ' LYS . . . . . 0.414 ' HA ' ' HD3' ' A' 1883 ' ' PRO . 0.5 OUTLIER -137.11 141.58 34.98 Favored Pre-proline 0 N--CA 1.478 0.936 0 O-C-N 120.121 -1.612 . . . . 10.0 108.785 167.61 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A 1883 ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' 1882 ' ' LYS . 64.5 Cg_exo -52.77 140.98 55.97 Favored 'Trans proline' 0 C--O 1.245 0.85 0 C-N-CA 124.358 3.372 . . . . 10.0 115.002 -173.398 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1884 ' ' ALA . . . . . . . . . . . . . . . -121.66 157.59 30.53 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 126.724 2.01 . . . . 10.0 110.875 173.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1885 ' ' THR . . . . . . . . . . . . . 57.6 p -148.43 161.91 40.65 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 115.947 1.832 . . . . 10.0 115.947 -170.119 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1886 ' ' PHE . . . . . . . . . . . . . 54.7 p90 -157.16 165.22 36.6 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 127.273 2.229 . . . . 10.0 112.158 166.661 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1887 ' ' THR . . . . . . . . . . . . . 22.5 m -106.71 151.2 25.43 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 126.222 1.809 . . . . 10.0 111.469 -175.656 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1888 ' ' VAL . . . . . . . . . . . . . 2.2 m -146.92 49.65 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 C-N-CA 126.877 2.071 . . . . 10.0 110.924 -167.728 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1889 ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -50.77 120.16 4.52 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 126.836 2.055 . . . . 10.0 114.375 -172.704 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 62.2 p -100.56 13.16 35.59 Favored 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 127.965 2.506 . . . . 10.0 113.829 -172.497 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1891 ' ' LYS . . . . . . . . . . . . . 99.4 mttt -62.68 120.57 11.46 Favored 'General case' 0 C--O 1.239 0.525 0 C-N-CA 125.522 1.529 . . . . 10.0 110.462 -176.176 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 19.6 t70 53.5 26.08 5.27 Favored 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 128.359 2.664 . . . . 10.0 114.329 -176.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1893 ' ' ALA . . . . . . . . . . . . . . . -62.45 -44.7 95.77 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 126.274 1.83 . . . . 10.0 115.259 -175.158 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 1.76 0 C-N-CA 123.402 0.525 . . . . 10.0 113.894 -169.978 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A 1898 ' ' LEU . . . . . . . . . . . . . 6.5 tt . . . . . 0 CA--C 1.547 0.863 0 CA-C-O 121.239 0.542 . . . . 10.0 110.613 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A 1899 ' ' SER . . . . . . . . . . . . . 69.3 m -135.76 128.55 31.06 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 126.356 1.862 . . . . 10.0 110.796 178.65 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1900 ' ' LEU . . . . . . . . . . . . . 3.4 pp -145.35 167.37 23.06 Favored 'General case' 0 C--O 1.237 0.446 0 N-CA-C 113.973 1.101 . . . . 10.0 113.973 172.56 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1901 ' ' ALA . . . . . . . . . . . . . . . -147.88 161.72 40.73 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 114.809 -1.087 . . . . 10.0 110.369 168.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1902 ' ' ILE . . . . . . . . . . . . . 2.1 mp -109.37 124.44 66.06 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 N-CA-C 107.252 -1.388 . . . . 10.0 107.252 168.426 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1903 ' ' GLU . . . . . . . . . . . . . 39.3 mm-40 -104.88 165.25 11.2 Favored 'General case' 0 C--O 1.218 -0.585 0 C-N-CA 127.076 2.151 . . . . 10.0 110.259 168.806 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1904 ' ' GLY . . . . . . . . . . . . . . . 171.71 -172.18 44.49 Favored Glycine 0 CA--C 1.533 1.191 0 C-N-CA 123.565 0.602 . . . . 10.0 112.705 -179.274 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1905 ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -72.19 -23.24 21.39 Favored 'Trans proline' 0 C--N 1.358 1.036 0 C-N-CA 123.245 2.63 . . . . 10.0 113.081 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1906 ' ' SER . . . . . . . . . . . . . 11.7 t -142.04 13.51 2.05 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 126.125 1.77 . . . . 10.0 114.755 -166.07 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1907 ' ' LYS . . . . . . . . . . . . . 55.4 tptt 45.47 98.91 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.562 0 C-N-CA 128.97 2.908 . . . . 10.0 116.248 168.544 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1908 ' ' ALA . . . . . . . . . . . . . . . -65.44 153.3 41.72 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.955 0.902 . . . . 10.0 112.881 173.514 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1909 ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -88.6 118.65 28.41 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 124.542 1.137 . . . . 10.0 111.515 175.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1910 ' ' ILE . . . . . . . . . . . . . 22.2 mm -83.64 131.89 32.77 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.3 0 C-N-CA 125.308 1.443 . . . . 10.0 111.242 -173.106 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1911 ' ' SER . . . . . . . . . . . . . 57.7 m -140.8 162.53 35.22 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 126.375 1.87 . . . . 10.0 109.416 170.059 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1912 ' ' CYS . . . . . . . . . . . . . 28.9 p -151.71 168.44 25.03 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.373 1.069 . . . . 10.0 112.234 176.484 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1913 ' ' THR . . . . . . . . . . . . . 9.5 m -106.51 149.33 27.22 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.958 1.303 . . . . 10.0 111.859 -177.175 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1914 ' ' ASP . . . . . . . . . . . . . 36.6 p-10 -109.6 7.79 24.71 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 126.017 1.727 . . . . 10.0 115.612 -168.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1915 ' ' ASN . . . . . . . . . . . . . 31.9 m120 -63.82 119.99 11.05 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.84 1.256 . . . . 10.0 112.176 172.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1916 ' ' GLN . . . . . . . . . . . . . 55.3 mt-30 -74.13 56.91 0.63 Allowed 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 126.612 1.965 . . . . 10.0 112.924 179.129 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1917 ' ' ASP . . . . . . . . . . . . . 29.6 t70 -111.63 4.65 18.79 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 126.265 1.826 . . . . 10.0 114.287 -175.501 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1918 ' ' GLY . . . . . . . . . . . . . . . 94.2 34.1 6.59 Favored Glycine 0 CA--C 1.542 1.722 0 C-N-CA 124.623 1.106 . . . . 10.0 115.062 179.348 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1919 ' ' THR . . . . . . . . . . . . . 15.3 t -151.56 171.93 16.82 Favored 'General case' 0 N--CA 1.483 1.212 0 CA-C-O 122.02 0.914 . . . . 10.0 112.85 172.298 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1920 ' ' CYS . . . . . . . . . . . . . 3.4 t -122.31 29.37 7.01 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 128.038 2.535 . . . . 10.0 111.985 -179.121 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1921 ' ' SER . . . . . . . . . . . . . 68.3 m -33.02 119.99 0.34 Allowed 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 129.759 3.224 . . . . 10.0 114.313 -166.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1922 ' ' VAL . . . . . . . . . . . . . 52.6 t -105.21 132.06 52.95 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 C-N-CA 126.011 1.725 . . . . 10.0 110.804 -169.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1923 ' ' SER . . . . . . . . . . . . . 52.1 m -122.24 121.7 37.41 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 127.072 2.149 . . . . 10.0 110.085 173.681 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1924 ' ' TYR . . . . . . . . . . . . . 25.2 p90 -121.78 164.9 16.68 Favored 'General case' 0 C--O 1.232 0.172 0 C-N-CA 124.34 1.056 . . . . 10.0 111.314 177.277 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1925 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -146.04 89.77 5.96 Favored Pre-proline 0 CA--C 1.546 0.802 0 O-C-N 121.098 -1.001 . . . . 10.0 111.525 -174.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1926 ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -76.87 131.13 11.94 Favored 'Trans proline' 0 CA--C 1.538 0.681 0 C-N-CA 123.652 2.901 . . . . 10.0 111.503 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1927 ' ' VAL . . . . . . . . . . . . . 34.5 m -85.97 -18.86 8.66 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 N-CA-C 114.209 1.189 . . . . 10.0 114.209 -178.633 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1928 ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -138.58 161.42 58.8 Favored Pre-proline 0 N--CA 1.474 0.763 0 C-N-CA 125.801 1.64 . . . . 10.0 111.978 170.406 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1929 ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -70.26 163.01 40.22 Favored 'Trans proline' 0 CA--C 1.537 0.663 0 C-N-CA 124.705 3.603 . . . . 10.0 112.443 177.704 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1930 ' ' GLY . . . . . . . . . . . . . . . 160.09 179.67 35.04 Favored Glycine 0 N--CA 1.47 0.914 0 CA-C-O 122.009 0.783 . . . . 10.0 114.76 177.269 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1931 ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -92.53 86.72 5.7 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 124.85 1.26 . . . . 10.0 110.244 170.262 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1932 ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -78.95 154.6 29.48 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 124.425 1.09 . . . . 10.0 109.994 178.827 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1933 ' ' SER . . . . . . . . . . . . . 27.1 t -129.11 122.28 29.57 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 124.937 1.295 . . . . 10.0 110.178 -173.253 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1934 ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -94.03 113.7 29.21 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.501 0 C-N-CA 126.6 1.96 . . . . 10.0 108.822 -178.686 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1935 ' ' LEU . . . . . 0.41 HD13 ' HB3' ' A' 1947 ' ' PRO . 2.8 mm? -99.1 89.88 4.41 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 125.455 1.502 . . . . 10.0 110.664 177.802 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1936 ' ' VAL . . . . . . . . . . . . . 4.1 t -90.63 133.26 32.97 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.439 0 O-C-N 119.771 -1.83 . . . . 10.0 110.813 179.561 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1937 ' ' LYS . . . . . . . . . . . . . 63.0 mttm -130.02 151.71 50.27 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 127.888 2.475 . . . . 10.0 111.646 171.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1938 ' ' TYR . . . . . . . . . . . . . 36.8 t80 -139.88 109.39 6.23 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.502 1.521 . . . . 10.0 109.269 169.831 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1939 ' ' ASN . . . . . . . . . . . . . 8.5 t-20 52.49 73.99 0.31 Allowed 'General case' 0 CA--C 1.556 1.183 0 C-N-CA 125.365 1.466 . . . . 10.0 112.648 -169.255 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1940 ' ' GLU . . . . . . . . . . . . . 3.7 tp10 73.29 -26.27 0.19 Allowed 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 128.8 2.84 . . . . 10.0 115.096 172.167 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1941 ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -116.88 151.14 37.22 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 125.302 1.441 . . . . 10.0 111.793 -170.59 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1942 ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -67.27 153.7 43.06 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-O 122.7 1.238 . . . . 10.0 112.771 -172.117 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1943 ' ' VAL . . . . . 0.494 HG13 ' HD2' ' A' 1944 ' ' PRO . 0.6 OUTLIER -71.96 165.81 46.53 Favored Pre-proline 0 CA--C 1.543 0.678 0 C-N-CA 125.749 1.62 . . . . 10.0 112.259 175.005 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A 1944 ' ' PRO . . . . . 0.494 ' HD2' HG13 ' A' 1943 ' ' VAL . 51.4 Cg_exo -58.57 111.49 0.89 Allowed 'Trans proline' 0 CA--C 1.548 1.217 0 C-N-CA 124.833 3.688 . . . . 10.0 112.534 -175.858 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1945 ' ' GLY . . . . . . . . . . . . . . . 85.75 -5.72 82.86 Favored Glycine 0 CA--C 1.533 1.204 0 C-N-CA 124.832 1.206 . . . . 10.0 116.076 179.691 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1946 ' ' SER . . . . . 0.436 ' OG ' HG12 ' A' 1943 ' ' VAL . 46.6 m -68.77 158.72 85.05 Favored Pre-proline 0 N--CA 1.478 0.969 0 CA-C-N 119.098 1.449 . . . . 10.0 113.211 176.415 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1947 ' ' PRO . . . . . 0.41 ' HB3' HD13 ' A' 1935 ' ' LEU . 74.3 Cg_endo -75.68 170.42 71.87 Favored 'Cis proline' 0 CA--C 1.54 0.795 0 CA-C-N 119.465 0.845 . . . . 10.0 113.954 -2.82 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1948 ' ' PHE . . . . . . . . . . . . . 33.8 m-85 -119.0 164.22 15.8 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 124.471 1.108 . . . . 10.0 111.179 177.771 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1949 ' ' THR . . . . . . . . . . . . . 62.9 m -134.56 107.09 7.33 Favored 'General case' 0 N--CA 1.488 1.441 0 C-N-CA 125.751 1.62 . . . . 10.0 110.263 -176.6 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1950 ' ' ALA . . . . . . . . . . . . . . . -99.81 117.75 34.79 Favored 'General case' 0 C--O 1.24 0.583 0 C-N-CA 127.301 2.24 . . . . 10.0 113.307 -178.432 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1951 ' ' ARG . . . . . . . . . . . . . 31.2 ttm180 -85.79 87.6 7.43 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-O 123.073 1.416 . . . . 10.0 114.1 175.666 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1952 ' ' VAL . . . . . . . . . . . . . 25.7 t -57.79 111.15 0.44 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.586 0 C-N-CA 129.042 2.937 . . . . 10.0 111.375 168.34 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1953 ' ' THR . . . . . . . . . . . . . 91.4 m -96.87 138.61 34.16 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 125.944 1.698 . . . . 10.0 111.136 -179.32 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1954 ' ' GLY . . . . . . . . . . . . . . . -78.88 172.36 55.26 Favored Glycine 0 CA--C 1.543 1.797 0 C-N-CA 125.219 1.39 . . . . 10.0 115.531 -169.437 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1955 ' ' ASP . . . . . . . . . . . . . 33.8 t70 -135.95 -40.51 0.68 Allowed 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 125.494 1.518 . . . . 10.0 114.561 -171.622 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1956 ' ' ASP . . . . . . . . . . . . . 22.2 t70 . . . . . 0 N--CA 1.477 0.891 0 C-N-CA 126.968 2.107 . . . . 10.0 112.595 179.147 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A 1868 ' ' VAL . . . . . 0.421 ' HB ' ' HB2' ' A' 1893 ' ' ALA . 14.7 p . . . . . 0 N--CA 1.481 1.083 0 N-CA-C 114.094 1.146 . . . . 10.0 114.094 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1869 ' ' THR . . . . . . . . . . . . . 40.7 p -141.33 167.64 21.7 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 127.345 2.258 . . . . 10.0 109.975 169.83 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1870 ' ' ALA . . . . . . . . . . . . . . . -125.97 137.52 53.69 Favored 'General case' 0 C--O 1.24 0.563 0 C-N-CA 126.191 1.796 . . . . 10.0 110.7 169.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1871 ' ' TYR . . . . . . . . . . . . . 28.8 p90 -155.19 151.56 28.32 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.076 1.35 . . . . 10.0 112.084 -176.789 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1872 ' ' GLY . . . . . . . . . . . . . . . 143.42 175.33 16.43 Favored Glycine 0 CA--C 1.528 0.879 0 O-C-N 121.278 -0.889 . . . . 10.0 114.316 179.247 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1873 ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -67.0 -33.62 31.7 Favored 'Trans proline' 0 C--N 1.355 0.887 0 C-N-CA 123.245 2.63 . . . . 10.0 112.441 -179.168 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1874 ' ' GLY . . . . . . . . . . . . . . . -74.06 5.98 23.17 Favored Glycine 0 N--CA 1.476 1.318 0 C-N-CA 126.698 2.094 . . . . 10.0 115.125 -177.114 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1875 ' ' LEU . . . . . . . . . . . . . 51.1 mt -105.76 -11.86 16.11 Favored 'General case' 0 CA--C 1.549 0.913 0 CA-C-N 119.319 1.559 . . . . 10.0 113.119 169.207 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1876 ' ' THR . . . . . . . . . . . . . 36.6 p -122.65 -33.13 3.46 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 126.208 1.803 . . . . 10.0 111.627 -174.669 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1877 ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -132.18 174.06 10.6 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 128.6 2.76 . . . . 10.0 110.985 173.446 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1878 ' ' GLY . . . . . . . . . . . . . . . -151.86 -178.77 26.91 Favored Glycine 0 CA--C 1.53 0.978 0 C-N-CA 125.455 1.502 . . . . 10.0 112.147 172.449 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1879 ' ' VAL . . . . . . . . . . . . . 12.9 p -147.64 144.41 19.4 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 C-N-CA 125.931 1.692 . . . . 10.0 107.81 173.045 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1880 ' ' VAL . . . . . . . . . . . . 0.259 0.3 OUTLIER -100.27 142.11 16.07 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 N-CA-C 113.621 0.971 . . . . 10.0 113.621 -168.074 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A 1881 ' ' ASN . . . . . . . . . . . . 0.264 26.4 m120 61.19 11.84 3.76 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 126.584 1.954 . . . . 10.0 115.716 -174.286 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1882 ' ' LYS . . . . . 0.411 ' HA ' ' HD3' ' A' 1883 ' ' PRO . 5.8 tptp -126.66 132.35 24.28 Favored Pre-proline 0 N--CA 1.485 1.303 0 C-N-CA 127.842 2.457 . . . . 10.0 108.067 168.497 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1883 ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' 1882 ' ' LYS . 53.1 Cg_exo -57.57 131.95 47.47 Favored 'Trans proline' 0 C--N 1.352 0.711 0 C-N-CA 122.729 2.286 . . . . 10.0 110.466 -176.81 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1884 ' ' ALA . . . . . . . . . . . . . . . -106.65 154.15 21.35 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 126.734 2.014 . . . . 10.0 109.686 177.169 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1885 ' ' THR . . . . . . . . . . . . . 66.9 p -149.77 163.1 38.89 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 113.599 0.963 . . . . 10.0 113.599 -171.365 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1886 ' ' PHE . . . . . . . . . . . . . 54.7 p90 -151.07 165.32 34.17 Favored 'General case' 0 C--O 1.239 0.552 0 C-N-CA 126.065 1.746 . . . . 10.0 111.061 168.868 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1887 ' ' THR . . . . . . . . . . . . . 89.5 m -98.42 142.04 30.54 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.732 1.213 . . . . 10.0 110.425 -179.135 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1888 ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -128.08 148.88 32.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 C-N-CA 126.904 2.082 . . . . 10.0 108.273 168.592 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1889 ' ' ASN . . . . . . . . . . . . . 51.3 t30 -132.87 77.0 1.72 Allowed 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 125.522 1.529 . . . . 10.0 112.623 -167.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 28.6 p -81.2 4.78 19.07 Favored 'General case' 0 N--CA 1.491 1.602 0 N-CA-C 115.712 1.745 . . . . 10.0 115.712 -171.663 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1891 ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -46.9 -44.58 19.87 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 117.647 2.462 . . . . 10.0 117.647 -166.816 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 25.0 t0 -130.58 29.09 4.85 Favored 'General case' 0 CA--C 1.55 0.977 0 CA-C-O 122.568 1.175 . . . . 10.0 112.781 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1893 ' ' ALA . . . . . 0.421 ' HB2' ' HB ' ' A' 1868 ' ' VAL . . . -74.38 -41.32 61.17 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 126.519 1.928 . . . . 10.0 114.858 -170.501 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.113 0 C-N-CA 125.435 1.493 . . . . 10.0 112.541 -170.424 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A 1898 ' ' LEU . . . . . . . . . . . . . 5.7 tt . . . . . 0 C--O 1.243 0.76 0 CA-C-O 119.834 -0.127 . . . . 10.0 111.226 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A 1899 ' ' SER . . . . . . . . . . . . . 32.7 t -142.21 140.53 32.36 Favored 'General case' 0 C--O 1.24 0.562 0 C-N-CA 123.655 0.782 . . . . 10.0 111.061 169.864 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1900 ' ' LEU . . . . . . . . . . . . . 25.0 mt -113.7 154.32 27.49 Favored 'General case' 0 C--O 1.243 0.729 0 CA-C-O 122.794 1.283 . . . . 10.0 114.363 -178.355 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1901 ' ' ALA . . . . . . . . . . . . . . . -143.87 162.3 36.45 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 125.534 1.534 . . . . 10.0 109.102 165.404 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1902 ' ' ILE . . . . . . . . . . . . . 1.4 tt -145.32 154.91 13.62 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 C-N-CA 124.855 1.262 . . . . 10.0 109.685 -179.618 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1903 ' ' GLU . . . . . . . . . . . . . 83.0 mt-10 -126.22 -177.3 3.92 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.34 1.456 . . . . 10.0 109.401 174.257 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1904 ' ' GLY . . . . . . . . . . . . . . . 132.25 -175.27 19.94 Favored Glycine 0 CA--C 1.547 2.062 0 C-N-CA 124.199 0.904 . . . . 10.0 112.449 -177.669 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1905 ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -70.21 -26.48 25.43 Favored 'Trans proline' 0 CA--C 1.537 0.636 0 C-N-CA 122.001 1.801 . . . . 10.0 114.759 177.805 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1906 ' ' SER . . . . . . . . . . . . . 6.8 t -153.12 60.43 0.78 Allowed 'General case' 0 CA--C 1.549 0.938 0 CA-C-O 123.573 1.654 . . . . 10.0 111.901 -164.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1907 ' ' LYS . . . . . . . . . . . . . 63.4 mtpt -32.75 121.87 0.35 Allowed 'General case' 0 N--CA 1.494 1.731 0 C-N-CA 130.148 3.379 . . . . 10.0 113.121 -174.355 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1908 ' ' ALA . . . . . . . . . . . . . . . -74.02 168.05 20.29 Favored 'General case' 0 C--N 1.348 0.522 0 N-CA-C 113.63 0.974 . . . . 10.0 113.63 -178.421 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1909 ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -106.6 113.25 26.65 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.023 0.929 . . . . 10.0 110.799 171.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1910 ' ' ILE . . . . . . . . . . . . . 1.7 mp -70.97 150.69 9.37 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.187 0 C-N-CA 127.097 2.159 . . . . 10.0 113.023 -174.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1911 ' ' SER . . . . . . . . . . . . . 7.6 t -146.05 173.71 11.94 Favored 'General case' 0 CA--C 1.564 1.509 0 C-N-CA 128.184 2.594 . . . . 10.0 110.377 167.503 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1912 ' ' CYS . . . . . . . . . . . . . 29.4 p -150.79 163.2 39.19 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 120.2 -1.562 . . . . 10.0 114.06 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1913 ' ' THR . . . . . . . . . . . . . 97.4 m -140.03 120.87 14.47 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.887 1.275 . . . . 10.0 109.101 -177.486 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1914 ' ' ASP . . . . . . . . . . . . . 3.4 p30 -69.12 -10.35 57.24 Favored 'General case' 0 N--CA 1.484 1.257 0 N-CA-C 115.478 1.659 . . . . 10.0 115.478 179.442 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1915 ' ' ASN . . . . . . . . . . . . . 39.0 t30 58.59 1.98 0.2 Allowed 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 128.854 2.862 . . . . 10.0 116.574 174.456 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1916 ' ' GLN . . . . . . . . . . . . . 58.6 mt-30 59.31 3.81 0.42 Allowed 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 126.787 2.035 . . . . 10.0 115.907 -168.742 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1917 ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -115.76 1.37 13.44 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-N 120.205 1.366 . . . . 10.0 114.178 178.772 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1918 ' ' GLY . . . . . . . . . . . . . . . 97.83 -3.92 60.99 Favored Glycine 0 CA--C 1.53 1.017 0 C-N-CA 125.19 1.376 . . . . 10.0 115.566 175.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1919 ' ' THR . . . . . . . . . . . . . 71.6 p -71.95 173.18 8.71 Favored 'General case' 0 N--CA 1.481 1.09 0 CA-C-N 119.262 1.531 . . . . 10.0 111.663 169.317 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1920 ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -123.76 17.36 9.47 Favored 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 114.696 1.369 . . . . 10.0 114.696 -176.285 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1921 ' ' SER . . . . . . . . . . . . . 44.2 m -12.81 99.95 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 130.539 3.535 . . . . 10.0 115.65 -176.318 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1922 ' ' VAL . . . . . . . . . . . . . 55.1 t -83.05 140.77 15.82 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 C-N-CA 125.912 1.685 . . . . 10.0 110.977 -173.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1923 ' ' SER . . . . . . . . . . . . . 33.1 m -126.24 152.65 45.81 Favored 'General case' 0 C--O 1.225 -0.197 0 C-N-CA 125.825 1.65 . . . . 10.0 111.599 172.514 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1924 ' ' TYR . . . . . . . . . . . . . 26.5 p90 -151.69 169.56 21.87 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 126.133 1.773 . . . . 10.0 111.42 171.042 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1925 ' ' LEU . . . . . . . . . . . . . 1.5 tm? -143.82 95.79 5.69 Favored Pre-proline 0 N--CA 1.474 0.769 0 C-N-CA 124.285 1.034 . . . . 10.0 111.59 -176.461 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1926 ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -80.64 149.85 18.7 Favored 'Trans proline' 0 CA--C 1.544 0.991 0 C-N-CA 122.932 2.421 . . . . 10.0 110.814 174.444 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1927 ' ' VAL . . . . . . . . . . . . . 34.4 m -118.48 -6.07 11.36 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 N-CA-C 114.96 1.467 . . . . 10.0 114.96 -175.684 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1928 ' ' LEU . . . . . . . . . . . . . 4.5 tt -143.66 128.16 9.47 Favored Pre-proline 0 CA--C 1.555 1.155 0 C-N-CA 125.268 1.427 . . . . 10.0 110.866 173.264 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1929 ' ' PRO . . . . . . . . . . . . . 89.2 Cg_exo -50.51 146.88 18.38 Favored 'Trans proline' 0 CA--C 1.55 1.287 0 C-N-CA 123.599 2.866 . . . . 10.0 115.764 -179.53 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1930 ' ' GLY . . . . . . . . . . . . . . . 172.0 -179.9 43.36 Favored Glycine 0 CA--C 1.528 0.906 0 CA-C-O 122.743 1.191 . . . . 10.0 115.143 -170.174 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1931 ' ' ASP . . . . . . . . . . . . . 16.2 p-10 -107.31 84.86 2.03 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 127.211 2.204 . . . . 10.0 110.659 -178.071 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1932 ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -85.78 100.31 11.95 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.409 1.083 . . . . 10.0 113.004 -169.324 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1933 ' ' SER . . . . . . . . . . . . . 20.6 t -66.48 129.77 40.94 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 120.909 -1.119 . . . . 10.0 110.539 176.077 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1934 ' ' ILE . . . . . . . . . . . . . 8.2 mm -101.95 129.95 52.45 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 125.022 1.329 . . . . 10.0 109.854 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1935 ' ' LEU . . . . . . . . . . . . . 3.0 mm? -118.98 91.4 3.55 Favored 'General case' 0 C--O 1.237 0.442 0 C-N-CA 126.21 1.804 . . . . 10.0 110.692 177.844 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1936 ' ' VAL . . . . . . . . . . . . . 47.4 t -91.83 109.94 21.99 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 C-N-CA 124.103 0.961 . . . . 10.0 109.251 175.134 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1937 ' ' LYS . . . . . . . . . . . . . 96.7 mttt -97.04 142.5 28.91 Favored 'General case' 0 N--CA 1.482 1.152 0 CA-C-N 119.307 0.958 . . . . 10.0 111.042 167.822 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1938 ' ' TYR . . . . . . . . . . . . . 17.9 t80 -138.14 107.79 6.23 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 125.218 1.407 . . . . 10.0 110.525 167.416 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1939 ' ' ASN . . . . . . . . . . . . . 1.5 t30 59.62 74.71 0.43 Allowed 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 126.641 1.976 . . . . 10.0 112.308 -178.773 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1940 ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 70.01 -3.95 1.63 Allowed 'General case' 0 N--CA 1.484 1.235 0 N-CA-C 117.722 2.49 . . . . 10.0 117.722 169.248 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1941 ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -138.41 160.78 38.66 Favored 'General case' 0 C--O 1.243 0.733 0 C-N-CA 125.459 1.504 . . . . 10.0 110.776 175.468 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1942 ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -68.61 152.89 44.74 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-O 121.968 0.889 . . . . 10.0 111.737 170.422 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1943 ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -67.08 163.9 40.69 Favored Pre-proline 0 CA--C 1.547 0.841 0 C-N-CA 126.247 1.819 . . . . 10.0 112.789 -176.534 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1944 ' ' PRO . . . . . . . . . . . . . 41.0 Cg_exo -60.93 -13.17 25.67 Favored 'Trans proline' 0 C--N 1.348 0.529 1 C-N-CA 125.794 4.33 . . . . 10.0 117.748 -168.517 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1945 ' ' GLY . . . . . . . . . . . . . . . -124.59 -6.22 6.75 Favored Glycine 0 CA--C 1.54 1.634 0 C-N-CA 126.466 1.984 . . . . 10.0 115.452 178.407 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1946 ' ' SER . . . . . . . . . . . . . 3.3 m -70.56 156.26 92.2 Favored Pre-proline 0 CA--C 1.547 0.844 0 CA-C-N 118.93 1.365 . . . . 10.0 111.71 174.309 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1947 ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -74.43 162.74 91.89 Favored 'Cis proline' 0 CA--C 1.545 1.031 0 CA-C-O 122.016 0.757 . . . . 10.0 112.54 -8.442 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1948 ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -119.77 168.09 11.43 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 125.879 1.672 . . . . 10.0 111.399 172.557 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1949 ' ' THR . . . . . . . . . . . . . 25.6 m -134.26 101.48 5.03 Favored 'General case' 0 N--CA 1.485 1.323 0 CA-C-N 119.817 1.19 . . . . 10.0 111.088 175.742 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1950 ' ' ALA . . . . . . . . . . . . . . . -81.3 104.6 11.87 Favored 'General case' 0 C--O 1.234 0.276 0 C-N-CA 124.974 1.31 . . . . 10.0 112.629 176.407 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1951 ' ' ARG . . . . . . . . . . . . . 58.2 ttp85 -78.26 89.97 4.33 Favored 'General case' 0 C--O 1.24 0.583 0 N-CA-C 113.307 0.854 . . . . 10.0 113.307 173.825 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1952 ' ' VAL . . . . . . . . . . . . . 44.6 t -59.01 114.79 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 C-N-CA 128.49 2.716 . . . . 10.0 111.833 169.115 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1953 ' ' THR . . . . . . . . . . . . . 4.2 t -96.69 167.9 10.84 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 125.143 1.377 . . . . 10.0 111.667 172.08 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1954 ' ' GLY . . . . . . . . . . . . . . . -69.91 175.66 34.44 Favored Glycine 0 CA--C 1.54 1.595 0 CA-C-O 123.995 1.886 . . . . 10.0 116.193 -176.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1955 ' ' ASP . . . . . . . . . . . . . 33.5 t70 -75.75 -18.26 59.61 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 125.406 1.483 . . . . 10.0 112.791 173.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1956 ' ' ASP . . . . . . . . . . . . . 33.7 t70 . . . . . 0 N--CA 1.488 1.436 0 C-N-CA 126.91 2.084 . . . . 10.0 113.924 -178.2 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A 1868 ' ' VAL . . . . . . . . . . . . . 7.1 p . . . . . 0 N--CA 1.474 0.74 0 CA-C-O 119.256 -0.402 . . . . 10.0 110.67 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A 1869 ' ' THR . . . . . . . . . . . . . 22.9 p -130.41 164.51 24.59 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 124.771 1.228 . . . . 10.0 113.976 -177.108 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1870 ' ' ALA . . . . . . . . . . . . . . . -138.46 126.8 23.04 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.698 1.599 . . . . 10.0 110.921 178.143 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1871 ' ' TYR . . . . . . . . . . . . . 55.4 p90 -147.61 164.83 32.25 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.644 1.178 . . . . 10.0 112.752 179.783 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1872 ' ' GLY . . . . . . . . . . . . . . . 132.91 173.04 13.17 Favored Glycine 0 N--CA 1.479 1.526 0 O-C-N 121.468 -0.77 . . . . 10.0 113.433 176.222 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1873 ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -65.67 -33.75 43.73 Favored 'Trans proline' 0 CA--C 1.54 0.803 0 C-N-CA 123.468 2.779 . . . . 10.0 112.535 -177.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1874 ' ' GLY . . . . . . . . . . . . . . . -67.98 -0.85 16.09 Favored Glycine 0 N--CA 1.48 1.612 0 C-N-CA 124.746 1.165 . . . . 10.0 115.972 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1875 ' ' LEU . . . . . . . . . . . . . 34.0 mt -103.16 -2.58 27.09 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.229 1.412 . . . . 10.0 114.059 171.44 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1876 ' ' THR . . . . . . . . . . . . . 13.2 t -135.02 -30.78 1.04 Allowed 'General case' 0 N--CA 1.482 1.142 0 N-CA-C 114.76 1.393 . . . . 10.0 114.76 -175.539 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1877 ' ' HIS . . . . . . . . . . . . . 13.0 t60 -134.9 -173.95 3.46 Favored 'General case' 0 CA--C 1.555 1.171 0 C-N-CA 125.569 1.548 . . . . 10.0 111.66 176.668 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1878 ' ' GLY . . . . . . . . . . . . . . . -172.83 173.93 45.65 Favored Glycine 0 CA--C 1.54 1.617 0 CA-C-N 118.984 0.811 . . . . 10.0 113.72 171.587 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1879 ' ' VAL . . . . . . . . . . . . . 33.5 t -133.89 109.69 13.24 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 C-N-CA 125.845 1.658 . . . . 10.0 109.909 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1880 ' ' VAL . . . . . . . . . . . . . 1.1 t -66.03 141.06 18.55 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 CA-C-O 122.431 1.11 . . . . 10.0 113.664 177.559 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1881 ' ' ASN . . . . . . . . . . . . . 34.4 m-20 70.41 0.32 3.17 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 127.687 2.395 . . . . 10.0 115.092 -175.279 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1882 ' ' LYS . . . . . . . . . . . . . 44.0 tptt -124.01 140.35 34.5 Favored Pre-proline 0 N--CA 1.485 1.284 0 C-N-CA 124.39 1.076 . . . . 10.0 110.814 173.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1883 ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -58.35 140.5 94.68 Favored 'Trans proline' 0 C--O 1.241 0.644 0 C-N-CA 122.851 2.367 . . . . 10.0 112.132 -179.656 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1884 ' ' ALA . . . . . . . . . . . . . . . -124.31 157.32 35.23 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 125.671 1.588 . . . . 10.0 111.249 174.828 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1885 ' ' THR . . . . . . . . . . . . . 29.1 p -146.08 159.54 43.14 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 113.648 0.981 . . . . 10.0 113.648 -171.072 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1886 ' ' PHE . . . . . . . . . . . . . 45.5 p90 -148.54 167.5 25.23 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 125.798 1.639 . . . . 10.0 111.984 168.805 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1887 ' ' THR . . . . . . . . . . . . . 64.4 m -118.1 113.23 21.29 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 124.608 1.163 . . . . 10.0 110.458 -170.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1888 ' ' VAL . . . . . . . . . . . . . 2.5 m -96.57 148.41 5.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.327 -0.851 . . . . 10.0 109.191 166.751 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1889 ' ' ASN . . . . . . . . . . . . . 32.5 t30 -136.93 95.69 3.16 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 127.197 2.199 . . . . 10.0 111.859 -164.035 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 25.4 p -93.58 23.88 4.37 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 129.316 3.046 . . . . 10.0 117.493 -167.071 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1891 ' ' LYS . . . . . . . . . . . . . 28.4 mtpp -46.83 -37.38 8.62 Favored 'General case' 0 N--CA 1.486 1.374 0 N-CA-C 117.088 2.255 . . . . 10.0 117.088 -168.658 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -122.69 14.45 10.13 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 125.737 1.615 . . . . 10.0 113.407 -179.671 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1893 ' ' ALA . . . . . . . . . . . . . . . -60.58 -28.54 68.57 Favored 'General case' 0 CA--C 1.551 0.99 0 N-CA-C 115.842 1.793 . . . . 10.0 115.842 -171.882 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.166 0 C-N-CA 126.484 1.993 . . . . 10.0 115.698 171.206 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A 1898 ' ' LEU . . . . . 0.483 ' HA ' ' H ' ' A' 1939 ' ' ASN . 0.0 OUTLIER . . . . . 0 CA--C 1.542 0.656 0 N-CA-C 113.378 0.881 . . . . 10.0 113.378 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1899 ' ' SER . . . . . . . . . . . . . 8.7 t -133.94 153.51 51.72 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.138 0.975 . . . . 10.0 112.315 -177.519 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1900 ' ' LEU . . . . . . . . . . . . . 7.6 mt -137.91 127.24 24.67 Favored 'General case' 0 C--O 1.241 0.626 0 C-N-CA 128.079 2.551 . . . . 10.0 110.514 -174.384 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1901 ' ' ALA . . . . . . . . . . . . . . . -143.49 162.47 35.74 Favored 'General case' 0 C--O 1.24 0.604 0 C-N-CA 124.526 1.13 . . . . 10.0 111.139 168.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1902 ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -132.83 129.33 58.01 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.889 0 C-N-CA 126.029 1.732 . . . . 10.0 108.349 179.191 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1903 ' ' GLU . . . . . . . . . . . . . 44.7 mm-40 -108.33 171.94 7.12 Favored 'General case' 0 C--N 1.319 -0.757 0 C-N-CA 128.049 2.54 . . . . 10.0 110.185 169.685 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1904 ' ' GLY . . . . . . . . . . . . . . . 144.27 -165.11 27.51 Favored Glycine 0 CA--C 1.542 1.738 0 C-N-CA 125.994 1.759 . . . . 10.0 112.624 -174.173 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1905 ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -70.24 -19.2 34.13 Favored 'Trans proline' 0 C--N 1.354 0.832 0 C-N-CA 122.419 2.08 . . . . 10.0 114.091 171.646 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1906 ' ' SER . . . . . . . . . . . . . 10.1 t -151.88 -176.04 5.48 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 128.181 2.592 . . . . 10.0 110.41 -167.401 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1907 ' ' LYS . . . . . . . . . . . . . 22.8 tptt -121.45 169.27 10.81 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 125.808 1.643 . . . . 10.0 112.651 -171.842 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1908 ' ' ALA . . . . . . . . . . . . . . . -146.09 166.15 26.99 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 125.68 1.592 . . . . 10.0 112.32 174.394 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1909 ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -64.61 158.14 25.17 Favored 'General case' 0 CA--C 1.557 1.216 0 C-N-CA 126.172 1.789 . . . . 10.0 113.246 174.511 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1910 ' ' ILE . . . . . . . . . . . . . 23.8 mm -129.26 104.51 11.11 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 C-N-CA 126.249 1.819 . . . . 10.0 110.23 177.469 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1911 ' ' SER . . . . . . . . . . . . . 49.4 m -135.91 89.11 2.45 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.486 1.115 . . . . 10.0 112.301 178.533 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1912 ' ' CYS . . . . . . . . . . . . . 28.6 p -79.2 156.21 28.28 Favored 'General case' 0 CA--C 1.546 0.811 0 O-C-N 121.877 -0.514 . . . . 10.0 110.524 168.568 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1913 ' ' THR . . . . . . . . . . . . . 13.1 m -141.31 100.34 3.77 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.46 1.104 . . . . 10.0 109.984 -179.077 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1914 ' ' ASP . . . . . . . . . . . . . 19.4 t70 -63.07 121.78 14.45 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.61 1.164 . . . . 10.0 111.829 169.223 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1915 ' ' ASN . . . . . . . . . . . . . 44.7 m-80 -128.82 163.35 25.4 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 124.42 1.088 . . . . 10.0 113.311 -171.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1916 ' ' GLN . . . . . . . . . . . . . 11.6 tp-100 -62.7 -23.83 67.34 Favored 'General case' 0 CA--C 1.556 1.173 0 C-N-CA 128.096 2.558 . . . . 10.0 113.245 -176.281 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1917 ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -86.95 -0.8 57.18 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 126.29 1.836 . . . . 10.0 113.568 -175.705 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1918 ' ' GLY . . . . . . . . . . . . . . . 87.49 39.2 7.31 Favored Glycine 0 CA--C 1.534 1.248 0 C-N-CA 125.245 1.403 . . . . 10.0 113.262 -178.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1919 ' ' THR . . . . . . . . . . . . . 37.2 p -129.92 159.52 36.39 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 126.32 1.848 . . . . 10.0 112.234 -177.273 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1920 ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -124.07 8.94 8.64 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 125.744 1.618 . . . . 10.0 114.2 178.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1921 ' ' SER . . . . . . . . . . . . . 73.9 m 13.58 100.07 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 130.805 3.642 . . . . 10.0 115.783 169.174 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1922 ' ' VAL . . . . . . . . . . . . . 85.1 t -100.52 120.29 49.8 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 124.765 1.226 . . . . 10.0 111.261 -175.004 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1923 ' ' SER . . . . . . . . . . . . . 51.8 m -103.45 145.9 29.31 Favored 'General case' 0 C--O 1.241 0.639 0 C-N-CA 127.191 2.197 . . . . 10.0 111.036 170.832 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1924 ' ' TYR . . . . . . . . . . . . . 13.8 p90 -146.75 173.36 12.45 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 126.254 1.822 . . . . 10.0 110.045 175.739 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1925 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -150.77 91.29 4.07 Favored Pre-proline 0 CA--C 1.544 0.724 0 O-C-N 120.39 -1.444 . . . . 10.0 110.319 -174.651 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1926 ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -76.08 154.49 37.55 Favored 'Trans proline' 0 CA--C 1.548 1.222 0 C-N-CA 123.344 2.696 . . . . 10.0 112.547 -176.845 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1927 ' ' VAL . . . . . . . . . . . . . 22.3 m -126.45 -13.63 4.11 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.196 0 N-CA-C 116.298 1.962 . . . . 10.0 116.298 -169.801 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1928 ' ' LEU . . . . . . . . . . . . . 5.8 tt -142.93 121.37 7.31 Favored Pre-proline 0 N--CA 1.475 0.789 0 C-N-CA 124.534 1.133 . . . . 10.0 110.465 175.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1929 ' ' PRO . . . . . . . . . . . . . 78.4 Cg_exo -55.95 141.47 86.08 Favored 'Trans proline' 0 CA--C 1.544 0.987 0 C-N-CA 124.067 3.178 . . . . 10.0 113.139 -170.641 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1930 ' ' GLY . . . . . . . . . . . . . . . 174.92 177.45 44.03 Favored Glycine 0 CA--C 1.532 1.103 0 N-CA-C 116.313 1.285 . . . . 10.0 116.313 -172.001 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1931 ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -90.35 82.74 5.92 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 126.176 1.79 . . . . 10.0 111.005 170.314 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1932 ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -73.84 148.44 42.39 Favored 'General case' 0 CA--C 1.548 0.879 0 O-C-N 120.701 -1.249 . . . . 10.0 110.319 178.537 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1933 ' ' SER . . . . . . . . . . . . . 59.5 m -124.82 108.25 11.75 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.376 1.47 . . . . 10.0 109.809 -179.672 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1934 ' ' ILE . . . . . . . . . . . . . 3.7 mm -76.85 133.7 30.35 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.332 0 N-CA-C 108.75 -0.833 . . . . 10.0 108.75 176.567 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1935 ' ' LEU . . . . . . . . . . . . . 4.3 mm? -112.6 110.84 21.24 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 127.917 2.487 . . . . 10.0 108.569 172.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1936 ' ' VAL . . . . . . . . . . . . . 73.7 t -118.73 106.91 20.41 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 C-N-CA 124.977 1.311 . . . . 10.0 110.063 173.285 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1937 ' ' LYS . . . . . . . . . . . . . 60.2 mttm -93.95 116.77 29.25 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.944 1.298 . . . . 10.0 108.256 168.827 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1938 ' ' TYR . . . . . . . . . . . . . 2.3 t80 -83.71 101.82 11.82 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 118.979 -1.088 . . . . 10.0 109.181 170.111 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1939 ' ' ASN . . . . . 0.483 ' H ' ' HA ' ' A' 1898 ' ' LEU . 17.6 t-20 61.4 -43.58 0.13 Allowed 'General case' 0 CA--C 1.548 0.875 1 C-N-CA 131.965 4.106 . . . . 10.0 115.265 -170.901 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A 1940 ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -150.16 -31.05 0.2 Allowed 'General case' 0 CA--C 1.55 0.974 0 O-C-N 120.624 -1.297 . . . . 10.0 114.224 -179.413 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1941 ' ' GLN . . . . . . . . . . . . . 60.5 mm-40 -118.03 145.53 44.71 Favored 'General case' 0 C--N 1.339 0.134 0 C-N-CA 124.45 1.1 . . . . 10.0 110.176 -170.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1942 ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -74.39 145.03 44.08 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-O 122.106 0.955 . . . . 10.0 113.296 -170.639 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1943 ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.02 160.86 52.83 Favored Pre-proline 0 C--N 1.316 -0.887 0 C-N-CA 124.398 1.079 . . . . 10.0 113.093 -174.003 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1944 ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -58.84 106.49 0.29 Allowed 'Trans proline' 0 CA--C 1.541 0.868 0 C-N-CA 124.891 3.727 . . . . 10.0 110.479 178.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1945 ' ' GLY . . . . . . . . . . . . . . . 96.42 -4.44 64.36 Favored Glycine 0 N--CA 1.473 1.132 0 C-N-CA 124.931 1.253 . . . . 10.0 115.068 179.443 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1946 ' ' SER . . . . . . . . . . . . . 3.1 m -64.4 149.29 95.13 Favored Pre-proline 0 CA--C 1.558 1.261 0 CA-C-N 119.867 1.833 . . . . 10.0 112.214 168.491 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1947 ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -75.27 162.9 91.77 Favored 'Cis proline' 0 CA--C 1.542 0.897 0 CA-C-N 119.667 0.917 . . . . 10.0 113.115 -5.552 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1948 ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -117.54 105.92 12.59 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.665 1.586 . . . . 10.0 112.287 -171.013 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1949 ' ' THR . . . . . . . . . . . . . 21.0 m -71.75 86.26 0.94 Allowed 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.597 1.559 . . . . 10.0 111.899 178.344 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1950 ' ' ALA . . . . . . . . . . . . . . . -84.19 99.8 10.76 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 126.92 2.088 . . . . 10.0 111.496 175.105 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1951 ' ' ARG . . . . . . . . . . . . . 48.0 ttm-85 -86.28 82.86 7.86 Favored 'General case' 0 N--CA 1.482 1.164 0 O-C-N 120.992 -1.068 . . . . 10.0 112.53 -176.494 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1952 ' ' VAL . . . . . . . . . . . . . 6.3 t -55.17 129.15 16.2 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 C-N-CA 128.629 2.771 . . . . 10.0 112.725 171.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1953 ' ' THR . . . . . . . . . . . . . 6.2 t -111.73 160.77 16.98 Favored 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 124.455 1.102 . . . . 10.0 111.62 175.17 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1954 ' ' GLY . . . . . . . . . . . . . . . -98.36 82.43 0.63 Allowed Glycine 0 N--CA 1.473 1.13 0 C-N-CA 126.286 1.898 . . . . 10.0 112.311 -179.04 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1955 ' ' ASP . . . . . . . . . . . . . 30.0 t70 -63.63 -25.66 68.32 Favored 'General case' 0 CA--C 1.553 1.059 0 N-CA-C 115.05 1.5 . . . . 10.0 115.05 -179.542 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1956 ' ' ASP . . . . . . . . . . . . . 30.7 t70 . . . . . 0 C--O 1.252 1.224 0 C-N-CA 127.525 2.33 . . . . 10.0 112.462 179.086 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A 1868 ' ' VAL . . . . . . . . . . . . . 9.1 p . . . . . 0 N--CA 1.488 1.453 0 CA-C-O 122.489 1.138 . . . . 10.0 110.837 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A 1869 ' ' THR . . . . . . . . . . . . . 3.6 m -156.13 151.25 26.47 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 128.974 2.91 . . . . 10.0 106.854 179.191 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1870 ' ' ALA . . . . . . . . . . . . . . . -81.05 135.19 35.79 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 119.478 1.035 . . . . 10.0 111.696 168.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1871 ' ' TYR . . . . . . . . . . . . . 47.9 p90 -147.26 155.18 41.83 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 125.438 1.495 . . . . 10.0 112.246 175.291 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1872 ' ' GLY . . . . . . . . . . . . . . . 135.85 170.26 12.01 Favored Glycine 0 C--N 1.344 1.003 0 C-N-CA 125.535 1.541 . . . . 10.0 113.162 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1873 ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -69.4 -30.04 24.6 Favored 'Trans proline' 0 CA--C 1.545 1.031 0 C-N-CA 123.199 2.599 . . . . 10.0 113.761 -177.504 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1874 ' ' GLY . . . . . . . . . . . . . . . -66.94 -4.66 28.6 Favored Glycine 0 CA--C 1.539 1.575 0 N-CA-C 115.59 0.996 . . . . 10.0 115.59 177.493 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1875 ' ' LEU . . . . . . . . . . . . . 26.3 mt -93.01 -25.1 18.11 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 118.999 1.399 . . . . 10.0 113.633 171.524 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1876 ' ' THR . . . . . . . . . . . . . 69.5 p -96.82 -38.03 10.02 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 123.929 0.892 . . . . 10.0 111.847 -177.052 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1877 ' ' HIS . . . . . . . . . . . . . 37.1 p-80 -143.96 -179.13 6.29 Favored 'General case' 0 C--O 1.235 0.342 0 C-N-CA 126.017 1.727 . . . . 10.0 112.176 -179.548 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1878 ' ' GLY . . . . . . . . . . . . . . . -153.55 172.2 32.36 Favored Glycine 0 N--CA 1.47 0.946 0 C-N-CA 125.326 1.441 . . . . 10.0 113.488 177.084 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1879 ' ' VAL . . . . . . . . . . . . . 12.4 p -139.94 143.23 30.51 Favored 'Isoleucine or valine' 0 C--O 1.244 0.778 0 C-N-CA 125.763 1.625 . . . . 10.0 109.958 170.825 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1880 ' ' VAL . . . . . . . . . . . . . 61.8 t -94.34 142.37 13.52 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 C-N-CA 125.272 1.429 . . . . 10.0 112.811 -169.239 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1881 ' ' ASN . . . . . . . . . . . . . 81.3 m-20 58.52 20.68 7.78 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 127.32 2.248 . . . . 10.0 113.618 -174.3 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1882 ' ' LYS . . . . . 0.41 ' HA ' ' HD3' ' A' 1883 ' ' PRO . 0.5 OUTLIER -142.36 142.03 22.67 Favored Pre-proline 0 CA--C 1.543 0.696 0 C-N-CA 126.148 1.779 . . . . 10.0 110.07 171.711 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A 1883 ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' 1882 ' ' LYS . 66.4 Cg_exo -56.14 146.26 71.67 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 124.233 3.288 . . . . 10.0 115.275 -171.384 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1884 ' ' ALA . . . . . . . . . . . . . . . -128.57 139.07 52.48 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 124.723 1.209 . . . . 10.0 109.811 174.598 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1885 ' ' THR . . . . . . . . . . . . . 23.4 p -145.74 164.3 32.27 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.882 -1.136 . . . . 10.0 112.851 -173.398 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1886 ' ' PHE . . . . . . . . . . . . . 54.5 p90 -154.37 173.78 15.74 Favored 'General case' 0 C--O 1.246 0.874 0 C-N-CA 126.085 1.754 . . . . 10.0 110.916 171.675 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1887 ' ' THR . . . . . . . . . . . . . 29.0 m -118.12 141.8 48.1 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 127.266 2.226 . . . . 10.0 110.203 -172.713 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1888 ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -147.11 71.32 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 128.298 2.639 . . . . 10.0 107.644 -173.288 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1889 ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -67.65 77.23 0.19 Allowed 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 127.575 2.35 . . . . 10.0 113.803 -171.275 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 3.8 p -74.97 11.42 1.1 Allowed 'General case' 0 N--CA 1.475 0.793 1 C-N-CA 131.855 4.062 . . . . 10.0 116.332 -178.16 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1891 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.73 -28.31 0.23 Allowed 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 117.509 2.411 . . . . 10.0 117.509 -174.488 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 21.9 t70 -108.79 -6.41 15.87 Favored 'General case' 0 CA--C 1.556 1.205 0 C-N-CA 126.991 2.116 . . . . 10.0 115.226 -179.331 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1893 ' ' ALA . . . . . . . . . . . . . . . -66.31 -45.47 80.25 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.676 1.19 . . . . 10.0 112.083 -174.098 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 1.677 0 C-N-CA 125.438 1.494 . . . . 10.0 114.409 179.333 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A 1898 ' ' LEU . . . . . . . . . . . . . 5.1 tt . . . . . 0 CA--C 1.546 0.822 0 N-CA-C 107.998 -1.112 . . . . 10.0 107.998 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A 1899 ' ' SER . . . . . . . . . . . . . 49.8 m -131.1 45.57 2.79 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 114.649 1.352 . . . . 10.0 114.649 -167.557 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1900 ' ' LEU . . . . . . . . . . . . . 3.3 pp -60.25 162.95 5.42 Favored 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 115.724 1.749 . . . . 10.0 115.724 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1901 ' ' ALA . . . . . . . . . . . . . . . -143.55 172.28 13.0 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 126.246 1.818 . . . . 10.0 112.665 170.87 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1902 ' ' ILE . . . . . . . . . . . . . 2.0 mp -125.91 137.31 58.12 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 C-N-CA 126.185 1.794 . . . . 10.0 109.71 172.718 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1903 ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -121.86 171.72 8.7 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 127.928 2.491 . . . . 10.0 112.09 169.032 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1904 ' ' GLY . . . . . . . . . . . . . . . 165.7 -173.52 41.36 Favored Glycine 0 N--CA 1.492 2.422 0 C-N-CA 124.278 0.942 . . . . 10.0 112.687 -177.362 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1905 ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -68.63 -21.26 39.64 Favored 'Trans proline' 0 CA--C 1.542 0.889 0 C-N-CA 122.899 2.4 . . . . 10.0 111.557 173.5 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1906 ' ' SER . . . . . . . . . . . . . 19.0 t -144.46 -15.66 0.56 Allowed 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 126.423 1.889 . . . . 10.0 113.163 -168.836 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1907 ' ' LYS . . . . . . . . . . . . . 20.7 ptmt 42.91 -166.74 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 130.44 3.496 . . . . 10.0 115.613 178.495 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1908 ' ' ALA . . . . . . . . . . . . . . . -151.28 165.69 33.24 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.662 1.185 . . . . 10.0 113.084 -176.855 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1909 ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -84.53 137.4 33.35 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 125.514 1.526 . . . . 10.0 111.898 174.539 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1910 ' ' ILE . . . . . . . . . . . . . 42.0 mm -82.95 135.67 24.35 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 C-N-CA 125.651 1.581 . . . . 10.0 109.926 -178.363 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1911 ' ' SER . . . . . . . . . . . . . 9.7 t -147.4 91.18 1.94 Allowed 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.505 1.122 . . . . 10.0 112.415 170.635 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1912 ' ' CYS . . . . . . . . . . . . . 17.0 p -65.3 144.36 57.18 Favored 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 125.248 1.419 . . . . 10.0 112.636 173.281 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1913 ' ' THR . . . . . . . . . . . . . 11.1 m -133.04 102.18 5.51 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.646 1.178 . . . . 10.0 110.774 -178.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1914 ' ' ASP . . . . . . . . . . . . . 18.6 t70 -65.84 103.83 0.98 Allowed 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.675 1.19 . . . . 10.0 111.264 172.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1915 ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -102.62 156.27 17.73 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.392 1.477 . . . . 10.0 111.636 178.626 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1916 ' ' GLN . . . . . . . . . . . . . 4.7 pp0? -65.63 -17.9 64.93 Favored 'General case' 0 CA--C 1.552 1.025 0 N-CA-C 116.478 2.029 . . . . 10.0 116.478 -171.559 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1917 ' ' ASP . . . . . . . . . . . . . 17.9 t70 -81.41 -4.18 55.02 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.033 0.933 . . . . 10.0 112.927 173.842 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1918 ' ' GLY . . . . . . . . . . . . . . . 86.08 53.55 2.96 Favored Glycine 0 CA--C 1.535 1.343 0 C-N-CA 125.022 1.296 . . . . 10.0 112.947 179.541 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1919 ' ' THR . . . . . . . . . . . . . 3.5 t -131.54 146.8 52.4 Favored 'General case' 0 N--CA 1.476 0.873 0 O-C-N 121.851 -0.794 . . . . 10.0 112.058 171.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1920 ' ' CYS . . . . . . . . . . . . . 4.1 t -86.06 0.7 52.78 Favored 'General case' 0 CA--C 1.556 1.191 0 C-N-CA 126.731 2.012 . . . . 10.0 112.622 179.707 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1921 ' ' SER . . . . . . . . . . . . . 43.2 m -3.33 93.55 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 131.048 3.739 . . . . 10.0 117.331 -176.424 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1922 ' ' VAL . . . . . . . . . . . . . 44.4 t -77.33 133.26 31.08 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.634 0 CA-C-O 121.741 0.781 . . . . 10.0 111.715 178.797 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1923 ' ' SER . . . . . . . . . . . . . 50.2 m -120.27 128.93 53.77 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 127.401 2.28 . . . . 10.0 110.769 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1924 ' ' TYR . . . . . . . . . . . . . 18.9 p90 -139.04 177.51 7.84 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.438 1.495 . . . . 10.0 111.667 179.739 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1925 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -152.12 87.43 4.29 Favored Pre-proline 0 CA--C 1.557 1.246 0 O-C-N 121.393 -0.817 . . . . 10.0 109.607 -170.157 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1926 ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -68.59 128.4 17.07 Favored 'Trans proline' 0 C--N 1.352 0.713 0 C-N-CA 122.91 2.407 . . . . 10.0 111.02 -174.503 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1927 ' ' VAL . . . . . . . . . . . . . 34.8 m -87.9 -15.75 9.27 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.18 0 C-N-CA 126.315 1.846 . . . . 10.0 112.628 -177.213 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1928 ' ' LEU . . . . . . . . . . . . . 14.0 mt -140.91 163.12 44.68 Favored Pre-proline 0 CA--C 1.545 0.754 0 C-N-CA 125.184 1.394 . . . . 10.0 111.126 172.182 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1929 ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -74.51 167.6 26.75 Favored 'Trans proline' 0 C--N 1.353 0.794 0 C-N-CA 123.157 2.572 . . . . 10.0 112.665 173.479 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1930 ' ' GLY . . . . . . . . . . . . . . . 157.56 -178.14 34.03 Favored Glycine 0 C--N 1.338 0.646 0 CA-C-O 122.696 1.164 . . . . 10.0 115.217 177.372 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1931 ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -96.25 78.78 3.11 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.664 1.585 . . . . 10.0 109.632 173.016 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1932 ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -73.56 156.14 38.42 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.835 0.854 . . . . 10.0 109.707 -177.687 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1933 ' ' SER . . . . . . . . . . . . . 58.5 m -127.52 115.37 18.74 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.48 1.112 . . . . 10.0 110.593 -179.066 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1934 ' ' ILE . . . . . . . . . . . . . 3.5 mm -85.49 99.31 7.3 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.821 0 O-C-N 121.124 -0.985 . . . . 10.0 109.104 173.595 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1935 ' ' LEU . . . . . . . . . . . . . 3.0 mm? -74.5 75.83 1.95 Allowed 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 125.768 1.627 . . . . 10.0 110.287 175.707 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1936 ' ' VAL . . . . . . . . . . . . . 41.0 t -79.21 108.42 12.76 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 O-C-N 120.209 -1.557 . . . . 10.0 111.192 -178.549 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1937 ' ' LYS . . . . . . . . . . . . . 65.1 mttm -101.26 137.07 40.09 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 125.206 1.402 . . . . 10.0 112.359 170.339 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1938 ' ' TYR . . . . . . . . . . . . . 71.9 t80 -131.36 116.81 18.04 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 125.658 1.583 . . . . 10.0 108.945 166.731 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1939 ' ' ASN . . . . . . . . . . . . . 13.4 t-20 51.95 72.54 0.38 Allowed 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 127.6 2.36 . . . . 10.0 112.748 -168.291 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1940 ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 63.68 -19.86 0.06 Allowed 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 128.556 2.742 . . . . 10.0 118.3 175.518 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1941 ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -120.32 154.72 34.62 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 126.211 1.804 . . . . 10.0 110.174 -175.645 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1942 ' ' HIS . . . . . . . . . . . . . 93.5 m-70 -69.62 147.29 50.87 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 113.517 0.932 . . . . 10.0 113.517 -175.716 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1943 ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.2 163.47 31.1 Favored Pre-proline 0 N--CA 1.475 0.81 0 C-N-CA 126.788 2.035 . . . . 10.0 111.175 179.507 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1944 ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -56.71 107.8 0.3 Allowed 'Trans proline' 0 N--CA 1.451 -1.012 0 C-N-CA 125.105 3.87 . . . . 10.0 113.025 -176.806 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1945 ' ' GLY . . . . . . . . . . . . . . . 89.64 0.43 78.95 Favored Glycine 0 CA--C 1.543 1.79 0 N-CA-C 117.007 1.563 . . . . 10.0 117.007 179.705 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1946 ' ' SER . . . . . . . . . . . . . 1.9 m -72.46 162.76 72.3 Favored Pre-proline 0 CA--C 1.548 0.866 0 CA-C-N 119.253 1.527 . . . . 10.0 114.016 177.78 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1947 ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -72.48 163.8 87.35 Favored 'Cis proline' 0 C--N 1.357 0.996 0 N-CA-C 114.375 0.875 . . . . 10.0 114.375 -3.259 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1948 ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -97.21 114.36 26.07 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.522 1.129 . . . . 10.0 109.529 176.541 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1949 ' ' THR . . . . . . . . . . . . . 49.8 m -79.39 101.74 8.3 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 124.093 0.957 . . . . 10.0 111.269 175.84 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1950 ' ' ALA . . . . . . . . . . . . . . . -93.66 107.76 19.59 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 128.073 2.549 . . . . 10.0 111.833 -175.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1951 ' ' ARG . . . . . . . . . . . . . 18.7 ttt85 -78.49 85.25 4.58 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 113.746 1.017 . . . . 10.0 113.746 -179.611 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1952 ' ' VAL . . . . . . . . . . . . . 2.5 t -66.42 104.05 0.57 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.879 0 C-N-CA 128.042 2.537 . . . . 10.0 111.836 173.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1953 ' ' THR . . . . . . . . . . . . . 26.2 m -81.17 132.99 35.38 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 124.896 1.278 . . . . 10.0 111.553 177.103 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1954 ' ' GLY . . . . . . . . . . . . . . . -107.16 157.44 15.55 Favored Glycine 0 CA--C 1.535 1.34 0 C-N-CA 124.96 1.266 . . . . 10.0 116.148 -170.864 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1955 ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -83.49 -20.48 33.88 Favored 'General case' 0 CA--C 1.563 1.455 0 N-CA-C 114.831 1.419 . . . . 10.0 114.831 172.122 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1956 ' ' ASP . . . . . . . . . . . . . 37.3 t70 . . . . . 0 C--O 1.256 1.43 0 C-N-CA 126.378 1.871 . . . . 10.0 113.826 178.78 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A 1868 ' ' VAL . . . . . 0.512 HG23 ' HA ' ' A' 1890 ' ' THR . 3.5 p . . . . . 0 N--CA 1.478 0.963 0 N-CA-C 108.169 -1.049 . . . . 10.0 108.169 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1869 ' ' THR . . . . . . . . . . . . . 77.9 p -148.44 172.51 14.33 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 125.213 1.405 . . . . 10.0 113.225 -166.073 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1870 ' ' ALA . . . . . 0.417 ' HB2' HG12 ' A' 1888 ' ' VAL . . . -130.97 141.78 50.29 Favored 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 127.408 2.283 . . . . 10.0 110.671 173.103 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1871 ' ' TYR . . . . . . . . . . . . . 49.4 p90 -152.73 158.79 42.83 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.592 1.157 . . . . 10.0 113.161 176.594 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1872 ' ' GLY . . . . . . . . . . . . . . . 136.57 169.9 11.83 Favored Glycine 0 CA--C 1.536 1.388 0 C-N-CA 126.234 1.873 . . . . 10.0 114.158 171.654 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1873 ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -72.13 -26.38 18.11 Favored 'Trans proline' 0 C--N 1.352 0.754 0 C-N-CA 124.058 3.172 . . . . 10.0 113.564 -174.702 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1874 ' ' GLY . . . . . . . . . . . . . . . -66.79 -6.17 35.36 Favored Glycine 0 CA--C 1.534 1.259 0 CA-C-O 118.709 -1.051 . . . . 10.0 114.313 173.852 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1875 ' ' LEU . . . . . . . . . . . . . 41.0 mt -90.59 -9.62 46.41 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-N 119.059 1.429 . . . . 10.0 113.744 172.398 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1876 ' ' THR . . . . . . . . . . . . . 45.1 p -109.74 -31.54 7.41 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 114.26 1.207 . . . . 10.0 114.26 179.202 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1877 ' ' HIS . . . . . . . . . . . . . 41.7 p-80 -146.99 173.63 12.26 Favored 'General case' 0 N--CA 1.475 0.789 0 O-C-N 120.335 -1.478 . . . . 10.0 112.612 179.351 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1878 ' ' GLY . . . . . . . . . . . . . . . -151.79 170.73 31.25 Favored Glycine 0 CA--C 1.545 1.915 0 C-N-CA 124.541 1.067 . . . . 10.0 114.536 177.131 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1879 ' ' VAL . . . . . . . . . . . . . 25.8 t -134.04 107.65 10.21 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 C-N-CA 124.716 1.206 . . . . 10.0 110.717 179.736 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1880 ' ' VAL . . . . . 0.408 HG23 HG12 ' A' 1952 ' ' VAL . 91.2 t -50.99 123.35 2.64 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.052 0 C-N-CA 124.533 1.133 . . . . 10.0 110.755 -178.273 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1881 ' ' ASN . . . . . . . . . . . . . 82.0 m-20 72.75 9.6 5.56 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 128.947 2.899 . . . . 10.0 115.77 -178.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1882 ' ' LYS . . . . . 0.405 ' HA ' ' HD3' ' A' 1883 ' ' PRO . 10.1 tppt? -116.05 135.0 22.69 Favored Pre-proline 0 CA--C 1.552 1.048 0 C-N-CA 124.565 1.146 . . . . 10.0 110.346 170.346 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1883 ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' 1882 ' ' LYS . 50.6 Cg_exo -54.95 126.63 23.21 Favored 'Trans proline' 0 N--CA 1.463 -0.292 0 C-N-CA 123.922 3.082 . . . . 10.0 113.267 -177.542 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1884 ' ' ALA . . . . . . . . . . . . . . . -106.12 146.72 29.83 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.674 1.19 . . . . 10.0 110.951 174.698 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1885 ' ' THR . . . . . . . . . . . . . 34.0 p -145.76 159.12 43.63 Favored 'General case' 0 N--CA 1.48 1.065 0 N-CA-C 113.413 0.894 . . . . 10.0 113.413 -173.129 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1886 ' ' PHE . . . . . . . . . . . . . 52.7 p90 -155.68 175.4 13.97 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 125.795 1.638 . . . . 10.0 112.067 168.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1887 ' ' THR . . . . . . . . . . . . . 89.1 m -117.38 140.88 49.0 Favored 'General case' 0 N--CA 1.472 0.631 0 O-C-N 120.634 -1.291 . . . . 10.0 110.198 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1888 ' ' VAL . . . . . 0.456 HG23 ' HB3' ' A' 1920 ' ' CYS . 2.6 m -118.64 156.26 20.59 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 C-N-CA 125.125 1.37 . . . . 10.0 108.585 166.34 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1889 ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -143.34 108.97 5.11 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 125.408 1.483 . . . . 10.0 110.244 -173.598 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1890 ' ' THR . . . . . 0.512 ' HA ' HG23 ' A' 1868 ' ' VAL . 77.0 p -87.17 -13.81 42.95 Favored 'General case' 0 N--CA 1.483 1.191 0 N-CA-C 116.182 1.919 . . . . 10.0 116.182 -178.669 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1891 ' ' LYS . . . . . . . . . . . . . 90.0 mttt 46.87 -90.49 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 128.063 2.545 . . . . 10.0 113.306 -170.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 29.4 t70 -88.17 -68.12 0.78 Allowed 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.949 0.9 . . . . 10.0 111.892 173.147 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1893 ' ' ALA . . . . . . . . . . . . . . . 53.91 -32.12 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 131.637 3.975 . . . . 10.0 119.059 -175.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.319 0 CA-C-N 120.797 1.635 . . . . 10.0 112.432 -174.029 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A 1898 ' ' LEU . . . . . . . . . . . . . 2.6 tm? . . . . . 0 CA--C 1.54 0.564 0 N-CA-C 108.97 -0.752 . . . . 10.0 108.97 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A 1899 ' ' SER . . . . . . . . . . . . . 23.3 t -135.02 148.95 50.08 Favored 'General case' 0 C--O 1.221 -0.445 0 C-N-CA 126.295 1.838 . . . . 10.0 110.45 -179.141 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1900 ' ' LEU . . . . . . . . . . . . . 4.0 pp -150.96 166.41 30.73 Favored 'General case' 0 C--O 1.243 0.76 0 N-CA-C 114.708 1.373 . . . . 10.0 114.708 -178.891 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1901 ' ' ALA . . . . . . . . . . . . . . . -145.13 170.11 16.85 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.546 1.138 . . . . 10.0 111.264 169.276 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1902 ' ' ILE . . . . . . . . . . . . . 1.2 mp -115.53 119.98 63.4 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 C-N-CA 125.242 1.417 . . . . 10.0 108.734 172.503 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1903 ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -105.55 175.21 5.57 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 126.404 1.882 . . . . 10.0 110.575 171.111 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1904 ' ' GLY . . . . . . . . . . . . . . . 148.9 -156.27 26.75 Favored Glycine 0 N--CA 1.476 1.362 0 C-N-CA 124.932 1.253 . . . . 10.0 112.326 -173.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1905 ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -72.95 -15.99 26.0 Favored 'Trans proline' 0 C--N 1.352 0.759 0 CA-C-N 120.081 1.941 . . . . 10.0 112.49 167.443 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1906 ' ' SER . . . . . . . . . . . . . 12.0 t -151.16 167.18 28.56 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 128.669 2.788 . . . . 10.0 110.476 -168.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1907 ' ' LYS . . . . . . . . . . . . . 30.1 mtpp -131.67 173.84 10.73 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 126.686 1.994 . . . . 10.0 111.883 -176.052 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1908 ' ' ALA . . . . . . . . . . . . . . . -139.51 165.04 28.3 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.093 1.357 . . . . 10.0 112.881 -177.411 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1909 ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -70.29 132.02 45.06 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 124.926 1.29 . . . . 10.0 110.057 168.428 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1910 ' ' ILE . . . . . . . . . . . . . 45.0 mm -111.92 120.18 61.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 O-C-N 121.532 -0.73 . . . . 10.0 109.797 -174.408 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1911 ' ' SER . . . . . . . . . . . . . 69.7 m -127.51 149.96 49.9 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 125.938 1.695 . . . . 10.0 110.467 174.804 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1912 ' ' CYS . . . . . . . . . . . . . 31.8 p -141.42 158.32 44.02 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 126.308 1.843 . . . . 10.0 111.075 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1913 ' ' THR . . . . . . . . . . . . . 34.4 m -143.31 103.67 4.15 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.393 1.077 . . . . 10.0 110.248 -174.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1914 ' ' ASP . . . . . . . . . . . . . 23.0 t70 -73.46 99.83 3.09 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 125.832 1.653 . . . . 10.0 112.604 174.88 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1915 ' ' ASN . . . . . . . . . . . . . 44.0 m-20 -81.32 -178.16 6.8 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 126.213 1.805 . . . . 10.0 113.933 -178.25 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1916 ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -56.35 -38.19 71.05 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 126.505 1.922 . . . . 10.0 113.641 -179.627 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1917 ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -94.37 3.67 54.88 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.631 1.173 . . . . 10.0 113.498 -172.545 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1918 ' ' GLY . . . . . . . . . . . . . . . 86.47 2.7 84.84 Favored Glycine 0 CA--C 1.538 1.502 0 C-N-CA 124.596 1.093 . . . . 10.0 114.706 -175.685 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1919 ' ' THR . . . . . . . . . . . . . 15.5 p -66.57 141.89 57.69 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 120.942 -1.328 . . . . 10.0 109.988 167.698 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1920 ' ' CYS . . . . . 0.456 ' HB3' HG23 ' A' 1888 ' ' VAL . 0.5 OUTLIER -114.26 9.93 17.11 Favored 'General case' 0 CA--C 1.552 1.031 0 N-CA-C 114.575 1.324 . . . . 10.0 114.575 -170.479 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A 1921 ' ' SER . . . . . . . . . . . . . 67.0 m 17.94 95.56 0.0 OUTLIER 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 130.867 3.667 . . . . 10.0 116.851 172.006 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1922 ' ' VAL . . . . . . . . . . . . . 78.6 t -93.39 138.62 19.86 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 C-N-CA 124.496 1.118 . . . . 10.0 110.594 -175.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1923 ' ' SER . . . . . . . . . . . . . 70.1 m -131.49 135.52 47.16 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 127.157 2.183 . . . . 10.0 109.867 177.23 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1924 ' ' TYR . . . . . . . . . . . . . 17.1 p90 -145.29 176.69 9.36 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 126.495 1.918 . . . . 10.0 112.118 178.514 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1925 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -140.83 99.34 6.79 Favored Pre-proline 0 N--CA 1.477 0.915 0 C-N-CA 123.392 0.677 . . . . 10.0 110.54 -176.44 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1926 ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -66.15 145.14 77.86 Favored 'Trans proline' 0 C--N 1.354 0.844 0 C-N-CA 122.706 2.271 . . . . 10.0 111.722 172.675 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1927 ' ' VAL . . . . . . . . . . . . . 34.7 m -130.43 -2.27 2.45 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.094 0 C-N-CA 124.214 1.006 . . . . 10.0 113.683 -175.064 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1928 ' ' LEU . . . . . . . . . . . . . 3.2 tt -155.36 133.98 7.28 Favored Pre-proline 0 CA--C 1.552 1.044 0 C-N-CA 124.656 1.182 . . . . 10.0 110.491 178.364 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1929 ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -69.93 142.28 46.78 Favored 'Trans proline' 0 C--N 1.35 0.629 0 C-N-CA 121.936 1.757 . . . . 10.0 112.726 -173.299 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1930 ' ' GLY . . . . . . . . . . . . . . . 167.98 178.02 39.63 Favored Glycine 0 CA--C 1.535 1.337 0 N-CA-C 116.441 1.337 . . . . 10.0 116.441 -173.85 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1931 ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -81.24 85.01 6.44 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.613 1.965 . . . . 10.0 110.431 173.87 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1932 ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -72.06 98.39 2.08 Favored 'General case' 0 C--O 1.241 0.631 0 C-N-CA 124.516 1.126 . . . . 10.0 110.899 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1933 ' ' SER . . . . . . . . . . . . . 74.9 m -75.91 105.15 6.79 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.071 1.348 . . . . 10.0 111.47 176.846 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1934 ' ' ILE . . . . . . . . . . . . . 2.3 mm -76.3 105.97 5.72 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.692 0 C-N-CA 122.956 0.503 . . . . 10.0 109.78 173.059 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1935 ' ' LEU . . . . . . . . . . . . . 4.4 mm? -96.72 107.25 19.67 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.743 1.217 . . . . 10.0 109.907 179.108 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1936 ' ' VAL . . . . . . . . . . . . . 17.7 t -107.8 136.84 41.84 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.305 0 C-N-CA 123.294 0.637 . . . . 10.0 112.043 178.318 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1937 ' ' LYS . . . . . . . . . . . . . 97.3 mttt -126.59 149.61 49.35 Favored 'General case' 0 C--N 1.346 0.44 0 C-N-CA 126.826 2.05 . . . . 10.0 112.728 175.519 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1938 ' ' TYR . . . . . . . . . . . . . 69.1 t80 -139.69 108.2 5.87 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 126.815 2.046 . . . . 10.0 109.755 174.705 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1939 ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 52.25 72.25 0.41 Allowed 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 126.133 1.773 . . . . 10.0 113.759 -175.091 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1940 ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 63.01 3.3 1.21 Allowed 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 116.572 2.064 . . . . 10.0 116.572 171.124 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1941 ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -130.52 160.13 35.05 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 126.734 2.013 . . . . 10.0 111.814 170.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1942 ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -71.19 155.49 40.67 Favored 'General case' 0 CA--C 1.553 1.066 0 CA-C-O 122.137 0.97 . . . . 10.0 113.499 177.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1943 ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -71.63 164.72 55.63 Favored Pre-proline 0 CA--C 1.546 0.812 0 C-N-CA 125.094 1.357 . . . . 10.0 112.69 -176.075 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1944 ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -59.86 -7.92 6.87 Favored 'Trans proline' 0 CA--C 1.538 0.703 1 C-N-CA 126.0 4.467 . . . . 10.0 118.143 -170.4 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1945 ' ' GLY . . . . . . . . . . . . . . . -141.47 5.38 2.35 Favored Glycine 0 CA--C 1.537 1.436 0 C-N-CA 126.756 2.122 . . . . 10.0 115.085 -177.087 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1946 ' ' SER . . . . . . . . . . . . . 4.6 m -68.64 154.41 94.62 Favored Pre-proline 0 CA--C 1.564 1.514 0 CA-C-N 118.927 1.363 . . . . 10.0 113.42 -179.085 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1947 ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -74.17 162.08 93.09 Favored 'Cis proline' 0 CA--C 1.546 1.101 0 CA-C-N 118.676 0.563 . . . . 10.0 111.729 -15.509 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1948 ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -96.66 -16.99 20.67 Favored 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 114.534 1.309 . . . . 10.0 114.534 -179.133 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1949 ' ' THR . . . . . . . . . . . . . 13.4 m 39.09 83.17 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.592 0 C-N-CA 128.85 2.86 . . . . 10.0 115.843 171.236 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1950 ' ' ALA . . . . . . . . . . . . . . . -76.78 170.43 16.48 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 125.56 1.544 . . . . 10.0 111.843 170.114 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1951 ' ' ARG . . . . . . . . . . . . . 52.5 ttt85 -138.08 94.4 2.88 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 113.836 1.05 . . . . 10.0 113.836 171.498 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1952 ' ' VAL . . . . . 0.408 HG12 HG23 ' A' 1880 ' ' VAL . 2.7 t -60.27 134.01 25.66 Favored 'Isoleucine or valine' 0 C--O 1.24 0.562 0 C-N-CA 128.223 2.609 . . . . 10.0 112.586 171.322 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1953 ' ' THR . . . . . . . . . . . . . 15.4 t -119.66 150.82 39.72 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 125.613 1.565 . . . . 10.0 111.523 175.618 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1954 ' ' GLY . . . . . . . . . . . . . . . -86.49 116.22 4.38 Favored Glycine 0 CA--C 1.538 1.491 0 C-N-CA 125.645 1.593 . . . . 10.0 115.595 -169.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1955 ' ' ASP . . . . . . . . . . . . . 35.5 t70 -74.08 -13.94 60.91 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 125.162 1.385 . . . . 10.0 114.224 173.721 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1956 ' ' ASP . . . . . . . . . . . . . 37.7 t70 . . . . . 0 C--O 1.253 1.26 0 C-N-CA 126.66 1.984 . . . . 10.0 113.611 177.027 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A 1868 ' ' VAL . . . . . . . . . . . . . 10.8 p . . . . . 0 CA--C 1.533 0.298 0 CA-C-O 123.017 1.389 . . . . 10.0 111.381 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A 1869 ' ' THR . . . . . . . . . . . . . 3.5 m -148.42 165.74 30.22 Favored 'General case' 0 C--N 1.319 -0.747 0 C-N-CA 128.019 2.528 . . . . 10.0 108.099 -175.738 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1870 ' ' ALA . . . . . . . . . . . . . . . -114.93 142.34 46.73 Favored 'General case' 0 CA--C 1.541 0.596 0 CA-C-N 118.905 0.775 . . . . 10.0 111.347 173.202 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1871 ' ' TYR . . . . . . . . . . . . . 33.1 p90 -156.84 168.7 26.66 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.554 1.542 . . . . 10.0 111.037 -178.749 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1872 ' ' GLY . . . . . . . . . . . . . . . 126.49 179.26 15.68 Favored Glycine 0 N--CA 1.481 1.677 0 O-C-N 120.703 -1.248 . . . . 10.0 114.007 172.368 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1873 ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -54.46 -46.0 36.72 Favored 'Trans proline' 0 CA--C 1.539 0.761 0 C-N-CA 124.334 3.356 . . . . 10.0 113.096 -177.158 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1874 ' ' GLY . . . . . . . . . . . . . . . -60.83 -19.64 56.02 Favored Glycine 0 CA--C 1.539 1.586 0 C-N-CA 125.602 1.573 . . . . 10.0 115.246 -174.669 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1875 ' ' LEU . . . . . . . . . . . . . 13.4 mt -90.4 -21.62 21.86 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 119.968 1.884 . . . . 10.0 113.286 171.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1876 ' ' THR . . . . . . . . . . . . . 86.3 m -80.8 -48.3 12.66 Favored 'General case' 0 N--CA 1.482 1.155 0 O-C-N 121.546 -0.721 . . . . 10.0 110.663 174.794 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1877 ' ' HIS . . . . . . . . . . . . . 5.1 p80 -148.14 164.14 34.81 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 125.436 1.494 . . . . 10.0 111.048 178.314 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1878 ' ' GLY . . . . . . . . . . . . . . . -129.06 174.62 19.12 Favored Glycine 0 CA--C 1.534 1.234 0 C-N-CA 126.414 1.959 . . . . 10.0 112.902 178.148 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1879 ' ' VAL . . . . . . . . . . . . . 8.0 p -136.31 137.89 47.6 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 124.945 1.298 . . . . 10.0 111.029 169.836 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1880 ' ' VAL . . . . . 0.508 HG23 HG12 ' A' 1952 ' ' VAL . 54.1 t -84.47 141.03 15.22 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.315 0 C-N-CA 126.378 1.871 . . . . 10.0 112.382 -171.163 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1881 ' ' ASN . . . . . . . . . . . . . 70.6 m-80 53.38 18.6 1.36 Allowed 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 126.588 1.955 . . . . 10.0 116.075 -177.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1882 ' ' LYS . . . . . 0.408 ' HA ' ' HD3' ' A' 1883 ' ' PRO . 20.1 tptm -136.31 143.21 42.66 Favored Pre-proline 0 N--CA 1.485 1.276 0 C-N-CA 125.553 1.541 . . . . 10.0 109.75 170.49 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1883 ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' 1882 ' ' LYS . 75.9 Cg_exo -56.63 134.56 65.18 Favored 'Trans proline' 0 C--O 1.243 0.747 0 C-N-CA 123.932 3.088 . . . . 10.0 112.08 -177.033 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1884 ' ' ALA . . . . . . . . . . . . . . . -120.69 161.25 21.73 Favored 'General case' 0 C--O 1.243 0.738 0 C-N-CA 125.271 1.428 . . . . 10.0 109.854 174.676 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1885 ' ' THR . . . . . . . . . . . . . 29.5 p -148.23 153.34 38.6 Favored 'General case' 0 N--CA 1.485 1.322 0 N-CA-C 114.338 1.236 . . . . 10.0 114.338 -169.083 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1886 ' ' PHE . . . . . . . . . . . . . 45.5 p90 -148.21 168.35 22.71 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.189 0.996 . . . . 10.0 111.249 168.787 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1887 ' ' THR . . . . . . . . . . . . . 95.5 m -104.23 141.26 36.59 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 124.604 1.162 . . . . 10.0 111.44 -173.375 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1888 ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -126.57 148.12 31.36 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 C-N-CA 125.942 1.697 . . . . 10.0 107.335 169.054 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1889 ' ' ASN . . . . . . . . . . . . . 42.4 t30 -122.79 63.11 0.98 Allowed 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 113.741 -1.572 . . . . 10.0 113.256 -165.255 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 22.1 p -68.67 1.62 3.08 Favored 'General case' 0 N--CA 1.478 0.933 0 N-CA-C 115.054 1.502 . . . . 10.0 115.054 175.333 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1891 ' ' LYS . . . . . . . . . . . . . 74.8 mttt -50.05 -51.05 45.47 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 127.542 2.337 . . . . 10.0 112.489 176.769 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 32.8 t70 -78.14 -28.07 48.34 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.185 1.394 . . . . 10.0 114.099 179.582 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1893 ' ' ALA . . . . . . . . . . . . . . . -69.09 -31.84 70.85 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.214 1.406 . . . . 10.0 112.415 172.503 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 1.776 0 C-N-CA 125.753 1.644 . . . . 10.0 114.724 173.554 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A 1898 ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.545 0.787 0 N-CA-C 113.124 0.787 . . . . 10.0 113.124 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1899 ' ' SER . . . . . . . . . . . . . 74.5 m -141.58 148.37 39.18 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.642 0.777 . . . . 10.0 109.83 175.355 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1900 ' ' LEU . . . . . . . . . . . . . 4.0 pp -153.2 172.33 17.12 Favored 'General case' 0 C--O 1.237 0.405 0 O-C-N 120.793 -1.192 . . . . 10.0 114.212 170.167 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1901 ' ' ALA . . . . . . . . . . . . . . . -143.31 164.6 29.78 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 125.402 1.481 . . . . 10.0 111.274 168.866 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1902 ' ' ILE . . . . . . . . . . . . . 2.2 mp -121.11 116.8 50.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 124.907 1.283 . . . . 10.0 108.939 170.343 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1903 ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -100.09 175.45 5.74 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 126.963 2.105 . . . . 10.0 110.426 170.244 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1904 ' ' GLY . . . . . . . . . . . . . . . 155.85 -165.63 32.68 Favored Glycine 0 CA--C 1.535 1.329 0 C-N-CA 124.155 0.884 . . . . 10.0 113.639 -170.066 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1905 ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -73.63 -19.99 20.83 Favored 'Trans proline' 0 CA--C 1.556 1.588 0 C-N-CA 124.131 3.221 . . . . 10.0 110.614 170.396 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1906 ' ' SER . . . . . . . . . . . . . 9.0 t -151.57 -178.68 6.83 Favored 'General case' 0 C--O 1.239 0.536 0 C-N-CA 128.124 2.57 . . . . 10.0 110.544 -166.724 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1907 ' ' LYS . . . . . . . . . . . . . 68.6 mttm -103.77 167.86 9.51 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 126.568 1.947 . . . . 10.0 113.099 -174.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1908 ' ' ALA . . . . . 0.48 ' HB1' ' H ' ' A' 1925 ' ' LEU . . . -143.0 159.16 42.77 Favored 'General case' 0 CA--C 1.557 1.235 0 C-N-CA 125.017 1.327 . . . . 10.0 111.687 175.311 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1909 ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -87.8 83.7 7.11 Favored 'General case' 0 N--CA 1.48 1.033 0 O-C-N 120.852 -1.155 . . . . 10.0 111.718 176.487 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1910 ' ' ILE . . . . . . . . . . . . . 15.3 mt -69.11 133.1 32.42 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.334 0 O-C-N 121.145 -0.972 . . . . 10.0 110.779 -178.297 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1911 ' ' SER . . . . . . . . . . . . . 7.4 t -146.6 170.63 16.52 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.633 1.573 . . . . 10.0 112.138 168.739 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1912 ' ' CYS . . . . . . . . . . . . . 27.4 p -138.17 160.24 39.93 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 125.85 1.66 . . . . 10.0 113.135 177.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1913 ' ' THR . . . . . . . . . . . . . 30.9 m -146.92 113.6 6.04 Favored 'General case' 0 N--CA 1.47 0.534 0 O-C-N 121.85 -0.531 . . . . 10.0 110.408 -171.609 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1914 ' ' ASP . . . . . . . . . . . . . 32.7 t70 -69.85 132.58 46.25 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.212 1.405 . . . . 10.0 109.247 167.668 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1915 ' ' ASN . . . . . . . . . . . . . 71.5 m-80 -130.97 167.06 19.65 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 125.069 1.347 . . . . 10.0 112.513 -176.241 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1916 ' ' GLN . . . . . . . . . . . . . 43.4 tt0 -59.74 -30.34 68.76 Favored 'General case' 0 CA--C 1.557 1.243 0 C-N-CA 125.285 1.434 . . . . 10.0 113.399 174.209 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1917 ' ' ASP . . . . . . . . . . . . . 35.0 t70 -75.34 -14.82 60.51 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.846 1.258 . . . . 10.0 111.893 178.317 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1918 ' ' GLY . . . . . . . . . . . . . . . 95.32 2.03 62.22 Favored Glycine 0 CA--C 1.547 2.036 0 C-N-CA 125.834 1.683 . . . . 10.0 115.022 174.355 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1919 ' ' THR . . . . . . . . . . . . . 81.1 p -70.12 166.03 20.75 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 125.916 1.686 . . . . 10.0 112.6 174.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1920 ' ' CYS . . . . . . . . . . . . . 1.1 t -106.26 6.82 31.02 Favored 'General case' 0 CA--C 1.558 1.263 0 C-N-CA 124.999 1.32 . . . . 10.0 112.689 170.038 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1921 ' ' SER . . . . . . . . . . . . . 7.1 t 14.57 92.86 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.233 1 C-N-CA 132.726 4.41 . . . . 10.0 115.993 175.613 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1922 ' ' VAL . . . . . . . . . . . . . 41.0 t -88.84 136.2 23.96 Favored 'Isoleucine or valine' 0 C--O 1.243 0.759 0 CA-C-O 122.467 1.127 . . . . 10.0 111.097 -176.836 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1923 ' ' SER . . . . . . . . . . . . . 62.8 p -116.17 154.69 29.59 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 126.635 1.974 . . . . 10.0 111.418 172.189 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1924 ' ' TYR . . . . . . . . . . . . . 14.1 p90 -148.92 169.28 20.92 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 126.915 2.086 . . . . 10.0 110.53 176.753 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1925 ' ' LEU . . . . . 0.48 ' H ' ' HB1' ' A' 1908 ' ' ALA . 0.3 OUTLIER -151.2 82.7 5.75 Favored Pre-proline 0 CA--C 1.56 1.335 0 O-C-N 120.671 -1.268 . . . . 10.0 110.216 -171.695 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A 1926 ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -73.12 122.99 8.5 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 123.737 2.958 . . . . 10.0 111.203 -176.276 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1927 ' ' VAL . . . . . . . . . . . . . 27.1 m -78.38 -14.65 13.88 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.146 0 O-C-N 121.026 -1.047 . . . . 10.0 113.736 -177.546 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1928 ' ' LEU . . . . . . . . . . . . . 20.0 mt -145.58 160.65 43.95 Favored Pre-proline 0 CA--C 1.539 0.54 0 C-N-CA 125.485 1.514 . . . . 10.0 112.074 177.437 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1929 ' ' PRO . . . . . . . . . . . . . 27.5 Cg_exo -58.98 154.42 44.98 Favored 'Trans proline' 0 C--N 1.354 0.824 0 C-N-CA 123.224 2.616 . . . . 10.0 113.36 172.117 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1930 ' ' GLY . . . . . . . . . . . . . . . 165.43 178.09 38.27 Favored Glycine 0 CA--C 1.534 1.276 0 N-CA-C 117.074 1.59 . . . . 10.0 117.074 176.773 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1931 ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -99.61 93.12 5.68 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 124.858 1.263 . . . . 10.0 108.54 171.708 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1932 ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -93.3 106.09 18.09 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.48 1.112 . . . . 10.0 111.677 -170.742 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1933 ' ' SER . . . . . . . . . . . . . 75.7 m -73.66 106.72 5.54 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.299 1.04 . . . . 10.0 111.02 179.037 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1934 ' ' ILE . . . . . . . . . . . . . 3.2 mm -79.05 119.4 28.23 Favored 'Isoleucine or valine' 0 C--O 1.244 0.81 0 N-CA-C 107.986 -1.116 . . . . 10.0 107.986 169.709 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1935 ' ' LEU . . . . . . . . . . . . . 4.5 mm? -107.87 90.82 3.42 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 126.36 1.864 . . . . 10.0 108.529 -178.163 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1936 ' ' VAL . . . . . . . . . . . . . 15.2 t -93.64 139.45 18.25 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.331 0 C-N-CA 124.571 1.148 . . . . 10.0 110.18 -179.321 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1937 ' ' LYS . . . . . . . . . . . . . 99.0 mttt -131.0 153.34 49.34 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 127.583 2.353 . . . . 10.0 113.087 179.52 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1938 ' ' TYR . . . . . . . . . . . . . 7.1 t80 -143.32 120.89 11.75 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 124.321 1.048 . . . . 10.0 109.36 165.173 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1939 ' ' ASN . . . . . . . . . . . . . 6.8 t30 48.26 78.81 0.08 Allowed 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 127.713 2.405 . . . . 10.0 112.976 -172.547 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1940 ' ' GLU . . . . . . . . . . . . 0.306 10.1 pt-20 52.64 8.99 0.1 Allowed 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 129.438 3.095 . . . . 10.0 118.773 173.904 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1941 ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -132.82 159.37 40.0 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.115 1.366 . . . . 10.0 112.373 169.587 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1942 ' ' HIS . . . . . . . . . . . . . 68.3 m80 -69.66 155.69 40.12 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-O 121.914 0.864 . . . . 10.0 112.812 176.326 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1943 ' ' VAL . . . . . 0.411 HG13 ' H ' ' A' 1945 ' ' GLY . 0.5 OUTLIER -75.45 165.54 52.75 Favored Pre-proline 0 CA--C 1.545 0.758 0 CA-C-N 114.739 -1.119 . . . . 10.0 112.801 -179.832 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A 1944 ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -63.9 -26.13 67.08 Favored 'Trans proline' 0 CA--C 1.533 0.449 0 C-N-CA 125.193 3.929 . . . . 10.0 116.167 -174.605 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1945 ' ' GLY . . . . . 0.411 ' H ' HG13 ' A' 1943 ' ' VAL . . . -95.95 -15.99 40.27 Favored Glycine 0 CA--C 1.542 1.733 0 C-N-CA 125.671 1.605 . . . . 10.0 114.166 179.753 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1946 ' ' SER . . . . . . . . . . . . . 38.6 m -72.08 152.49 92.7 Favored Pre-proline 0 C--O 1.245 0.851 0 C-N-CA 126.053 1.741 . . . . 10.0 112.921 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1947 ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -73.19 157.28 99.22 Favored 'Cis proline' 0 C--N 1.356 0.959 0 CA-C-N 119.152 0.733 . . . . 10.0 112.668 -14.408 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1948 ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -101.72 -15.01 17.12 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 115.629 1.715 . . . . 10.0 115.629 -170.548 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1949 ' ' THR . . . . . . . . . . . . . 15.5 m 27.73 80.37 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.605 0 C-N-CA 128.895 2.878 . . . . 10.0 114.935 -177.58 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1950 ' ' ALA . . . . . . . . . . . . . . . -72.54 162.23 29.75 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.706 1.202 . . . . 10.0 112.79 179.236 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1951 ' ' ARG . . . . . . . . . . . . . 18.2 ttt-85 -127.64 85.63 2.38 Favored 'General case' 0 N--CA 1.481 1.089 0 CA-C-O 123.328 1.537 . . . . 10.0 113.532 -174.517 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1952 ' ' VAL . . . . . 0.508 HG12 HG23 ' A' 1880 ' ' VAL . 2.9 t -70.19 109.6 2.85 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 C-N-CA 127.795 2.438 . . . . 10.0 112.209 179.375 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1953 ' ' THR . . . . . . . . . . . . . 93.9 m -78.94 133.39 36.91 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.518 1.527 . . . . 10.0 111.747 174.609 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1954 ' ' GLY . . . . . . . . . . . . . . . -78.16 76.52 1.78 Allowed Glycine 0 CA--C 1.528 0.88 0 C-N-CA 125.335 1.445 . . . . 10.0 112.282 174.723 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1955 ' ' ASP . . . . . . . . . . . . . 27.7 t70 -77.48 -25.54 50.55 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 113.357 0.873 . . . . 10.0 113.357 178.143 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1956 ' ' ASP . . . . . . . . . . . . . 33.9 t70 . . . . . 0 C--O 1.261 1.705 0 C-N-CA 126.987 2.115 . . . . 10.0 114.602 177.133 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A 1868 ' ' VAL . . . . . . . . . . . . . 6.4 p . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 120.648 0.261 . . . . 10.0 110.863 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A 1869 ' ' THR . . . . . . . . . . . . . 42.4 p -144.29 172.52 12.81 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 125.326 1.451 . . . . 10.0 111.163 -178.193 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1870 ' ' ALA . . . . . . . . . . . . . . . -130.29 120.56 24.58 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.383 1.073 . . . . 10.0 109.562 170.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1871 ' ' TYR . . . . . . . . . . . . . 48.0 p90 -148.29 156.46 42.56 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 125.081 1.352 . . . . 10.0 112.423 -177.524 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1872 ' ' GLY . . . . . . . . . . . . . . . 136.38 175.46 13.82 Favored Glycine 0 CA--C 1.54 1.625 0 C-N-CA 125.547 1.546 . . . . 10.0 114.498 174.117 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1873 ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -65.4 -27.48 54.88 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 123.65 2.9 . . . . 10.0 113.22 -177.068 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1874 ' ' GLY . . . . . . . . . . . . . . . -69.22 -4.47 43.57 Favored Glycine 0 CA--C 1.549 2.169 0 N-CA-C 115.633 1.013 . . . . 10.0 115.633 177.124 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1875 ' ' LEU . . . . . . . . . . . . . 18.5 mt -103.43 -7.1 21.23 Favored 'General case' 0 CA--C 1.556 1.19 0 CA-C-N 119.742 1.771 . . . . 10.0 113.036 171.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1876 ' ' THR . . . . . . . . . . . . . 68.7 p -111.86 -41.12 4.08 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.267 1.027 . . . . 10.0 112.208 -176.487 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1877 ' ' HIS . . . . . . . . . . . . . 43.3 p-80 -143.27 -176.94 5.13 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 126.931 2.092 . . . . 10.0 112.042 178.498 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1878 ' ' GLY . . . . . . . . . . . . . . . -154.16 169.68 32.64 Favored Glycine 0 CA--C 1.537 1.468 0 C-N-CA 124.063 0.839 . . . . 10.0 113.468 170.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1879 ' ' VAL . . . . . . . . . . . . . 6.2 t -120.59 104.74 15.8 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.36 0 C-N-CA 125.692 1.597 . . . . 10.0 108.841 -178.072 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1880 ' ' VAL . . . . . . . . . . . . . 72.8 t -57.18 122.1 5.88 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 C-N-CA 123.632 0.773 . . . . 10.0 112.093 -178.798 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1881 ' ' ASN . . . . . . . . . . . . 0.253 64.7 m-80 67.78 11.23 8.27 Favored 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 127.826 2.45 . . . . 10.0 116.478 -177.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1882 ' ' LYS . . . . . . . . . . . . . 47.7 mtmt -128.74 151.58 77.4 Favored Pre-proline 0 CA--C 1.541 0.596 0 C-N-CA 124.576 1.151 . . . . 10.0 112.413 167.523 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1883 ' ' PRO . . . . . . . . . . . . . 39.8 Cg_exo -64.15 153.43 76.36 Favored 'Trans proline' 0 CA--C 1.544 0.977 0 C-N-CA 123.566 2.844 . . . . 10.0 111.698 -166.672 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1884 ' ' ALA . . . . . . . . . . . . . . . -141.75 156.75 45.58 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.458 1.103 . . . . 10.0 111.213 175.049 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1885 ' ' THR . . . . . . . . . . . . . 46.1 p -146.81 159.56 43.36 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.923 1.289 . . . . 10.0 112.521 -171.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1886 ' ' PHE . . . . . . . . . . . . . 48.5 p90 -150.23 172.3 15.56 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 125.611 1.564 . . . . 10.0 110.369 168.127 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1887 ' ' THR . . . . . . . . . . . . . 58.6 m -118.43 133.54 55.79 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 124.879 1.272 . . . . 10.0 110.865 -175.113 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1888 ' ' VAL . . . . . . . . . . . . . 1.5 m -126.3 82.3 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 CA-C-O 125.32 2.485 . . . . 10.0 108.098 171.868 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1889 ' ' ASN . . . . . . . . . . . . . 57.3 t30 -62.4 75.09 0.02 OUTLIER 'General case' 0 C--N 1.312 -1.037 0 C-N-CA 129.145 2.978 . . . . 10.0 113.024 177.307 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 16.8 p -76.03 35.23 0.13 Allowed 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 127.405 2.282 . . . . 10.0 113.544 174.423 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1891 ' ' LYS . . . . . . . . . . . . . 19.3 ptmt -30.13 -56.4 0.18 Allowed 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 130.438 3.495 . . . . 10.0 115.474 -170.373 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -125.82 4.02 7.39 Favored 'General case' 0 CA--C 1.555 1.155 0 C-N-CA 126.963 2.105 . . . . 10.0 113.228 172.03 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1893 ' ' ALA . . . . . . . . . . . . . . . -76.16 -4.19 40.31 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 129.051 2.941 . . . . 10.0 113.74 173.873 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.281 0 C-N-CA 126.348 1.928 . . . . 10.0 115.404 -171.961 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A 1898 ' ' LEU . . . . . . . . . . . . . 1.6 pp . . . . . 0 CA--C 1.536 0.415 0 N-CA-C 114.19 1.182 . . . . 10.0 114.19 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A 1899 ' ' SER . . . . . . . . . . . . . 23.7 t -147.23 149.67 33.37 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 125.593 1.557 . . . . 10.0 110.097 170.464 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1900 ' ' LEU . . . . . . . . . . . . . 4.4 pp -153.17 167.79 28.13 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.909 1.684 . . . . 10.0 111.611 171.194 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1901 ' ' ALA . . . . . . . . . . . . . . . -144.0 169.19 18.3 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.929 0.892 . . . . 10.0 112.102 169.154 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1902 ' ' ILE . . . . . . . . . . . . . 3.5 mp -121.63 135.01 63.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 C-N-CA 124.44 1.096 . . . . 10.0 108.877 173.495 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1903 ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -129.05 176.11 8.16 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 128.418 2.687 . . . . 10.0 111.374 176.094 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1904 ' ' GLY . . . . . . . . . . . . . . . 160.15 -154.5 25.54 Favored Glycine 0 CA--C 1.538 1.495 0 C-N-CA 124.001 0.81 . . . . 10.0 113.076 -178.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1905 ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -72.14 -13.34 28.5 Favored 'Trans proline' 0 CA--C 1.547 1.128 0 C-N-CA 122.17 1.913 . . . . 10.0 111.949 168.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1906 ' ' SER . . . . . . . . . . . . . 23.2 t -151.35 -174.25 4.76 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 128.733 2.813 . . . . 10.0 110.03 -168.344 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1907 ' ' LYS . . . . . . . . . . . . . 34.2 tptt -129.92 166.08 20.75 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 126.031 1.733 . . . . 10.0 111.983 -174.608 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1908 ' ' ALA . . . . . . . . . . . . . . . -135.75 159.64 41.03 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 127.156 2.182 . . . . 10.0 112.972 -177.384 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1909 ' ' GLU . . . . . . . . . . . . . 72.8 tt0 -85.0 78.55 9.89 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 124.371 1.068 . . . . 10.0 111.465 178.232 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1910 ' ' ILE . . . . . . . . . . . . . 20.0 mt -69.16 130.12 33.95 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 C-N-CA 125.156 1.382 . . . . 10.0 110.708 -178.682 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1911 ' ' SER . . . . . . . . . . . . . 11.0 t -146.63 152.36 38.76 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 123.418 0.687 . . . . 10.0 111.457 172.55 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1912 ' ' CYS . . . . . . . . . . . . . 60.0 m -125.51 154.49 42.03 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 124.034 0.934 . . . . 10.0 112.483 -171.316 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1913 ' ' THR . . . . . . . . . . . . . 62.0 m -131.3 143.5 50.58 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.106 0.962 . . . . 10.0 111.345 -176.371 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1914 ' ' ASP . . . . . . . . . . . . . 14.8 t0 -144.34 95.3 2.69 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 126.087 1.755 . . . . 10.0 111.089 178.183 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1915 ' ' ASN . . . . . . . . . . . . . 26.2 m120 -133.65 -155.14 0.65 Allowed 'General case' 0 CA--C 1.554 1.109 0 C-N-CA 126.85 2.06 . . . . 10.0 110.563 178.748 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1916 ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -45.37 -35.65 3.74 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 127.651 2.38 . . . . 10.0 115.5 -170.405 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1917 ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -75.88 -14.43 60.27 Favored 'General case' 0 CA--C 1.547 0.827 0 O-C-N 120.16 -1.588 . . . . 10.0 113.786 -178.587 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1918 ' ' GLY . . . . . . . . . . . . . . . 71.55 4.3 56.97 Favored Glycine 0 CA--C 1.537 1.419 0 C-N-CA 124.4 1.0 . . . . 10.0 115.596 174.546 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1919 ' ' THR . . . . . . . . . . . . . 65.0 p -71.45 175.05 5.81 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 126.231 1.812 . . . . 10.0 112.821 179.17 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1920 ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -106.26 22.51 15.62 Favored 'General case' 0 CA--C 1.549 0.922 0 O-C-N 121.463 -0.773 . . . . 10.0 111.634 171.914 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1921 ' ' SER . . . . . . . . . . . . . 21.6 m -40.94 133.65 2.11 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 128.24 2.616 . . . . 10.0 114.454 -168.693 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1922 ' ' VAL . . . . . . . . . . . . . 28.7 t -123.14 132.79 70.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 124.424 1.09 . . . . 10.0 110.353 -171.318 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1923 ' ' SER . . . . . . . . . . . . . 23.1 t -110.35 151.77 27.03 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 126.173 1.789 . . . . 10.0 110.529 169.534 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1924 ' ' TYR . . . . . . . . . . . . . 15.7 p90 -150.92 170.85 18.32 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 124.568 1.147 . . . . 10.0 111.367 174.559 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1925 ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -149.34 97.22 3.58 Favored Pre-proline 0 CA--C 1.538 0.51 0 C-N-CA 124.8 1.24 . . . . 10.0 108.84 -174.715 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1926 ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -72.82 150.43 49.71 Favored 'Trans proline' 0 CA--C 1.533 0.437 0 C-N-CA 123.497 2.798 . . . . 10.0 112.196 177.253 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1927 ' ' VAL . . . . . . . . . . . . . 33.3 m -116.08 -7.23 12.08 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.212 0 N-CA-C 114.889 1.44 . . . . 10.0 114.889 -178.055 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1928 ' ' LEU . . . . . . . . . . . . . 1.8 tt -148.16 143.59 17.76 Favored Pre-proline 0 N--CA 1.474 0.758 0 C-N-CA 125.278 1.431 . . . . 10.0 110.138 -178.35 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1929 ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -57.79 152.3 50.62 Favored 'Trans proline' 0 CA--C 1.541 0.845 0 C-N-CA 124.482 3.454 . . . . 10.0 113.825 177.587 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1930 ' ' GLY . . . . . . . . . . . . . . . 168.7 -178.78 41.95 Favored Glycine 0 N--CA 1.47 0.902 0 N-CA-C 116.218 1.247 . . . . 10.0 116.218 172.273 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1931 ' ' ASP . . . . . . . . . . . . . 17.9 p-10 -102.96 73.41 1.25 Allowed 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 127.097 2.159 . . . . 10.0 109.594 172.428 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1932 ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -66.32 158.07 30.07 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.084 1.354 . . . . 10.0 111.612 -175.399 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1933 ' ' SER . . . . . . . . . . . . . 31.9 t -120.01 117.15 27.27 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 126.553 1.941 . . . . 10.0 110.974 179.47 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1934 ' ' ILE . . . . . . . . . . . . . 3.5 mm -87.92 108.74 18.82 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 C-N-CA 123.638 0.775 . . . . 10.0 109.354 170.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1935 ' ' LEU . . . . . . . . . . . . . 2.8 mm? -86.99 87.89 7.57 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.357 1.463 . . . . 10.0 108.345 175.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1936 ' ' VAL . . . . . . . . . . . . . 19.1 t -90.08 139.72 17.07 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 CA-C-N 119.479 1.036 . . . . 10.0 110.72 177.211 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1937 ' ' LYS . . . . . . . . . . . . . 62.3 mttm -125.47 168.39 13.68 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 125.511 1.524 . . . . 10.0 111.821 170.545 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1938 ' ' TYR . . . . . . . . . . . . . 82.4 t80 -134.83 128.97 33.77 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.119 0.967 . . . . 10.0 109.745 163.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1939 ' ' ASN . . . . . . . . . . . . . 19.1 t-20 60.49 -59.97 0.07 Allowed 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 129.153 2.981 . . . . 10.0 114.217 -171.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1940 ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -152.32 -10.61 0.18 Allowed 'General case' 0 CA--C 1.555 1.137 0 N-CA-C 116.33 1.974 . . . . 10.0 116.33 -179.399 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1941 ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -137.02 159.37 42.08 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 125.371 1.469 . . . . 10.0 112.016 -173.162 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1942 ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -63.4 147.01 52.38 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 113.496 0.924 . . . . 10.0 113.496 -169.434 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1943 ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -67.18 161.58 62.44 Favored Pre-proline 0 CA--C 1.549 0.939 0 C-N-CA 126.201 1.8 . . . . 10.0 113.358 -177.441 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1944 ' ' PRO . . . . . . . . . . . . . 41.0 Cg_exo -59.24 -11.41 13.09 Favored 'Trans proline' 0 CA--C 1.537 0.634 0 C-N-CA 125.227 3.952 . . . . 10.0 118.016 -170.091 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1945 ' ' GLY . . . . . . . . . . . . . . . -132.2 1.66 4.97 Favored Glycine 0 CA--C 1.529 0.96 0 C-N-CA 128.34 2.876 . . . . 10.0 115.999 177.608 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1946 ' ' SER . . . . . . . . . . . . . 3.5 m -66.13 152.88 93.2 Favored Pre-proline 0 C--O 1.243 0.728 0 CA-C-N 119.779 1.79 . . . . 10.0 112.818 177.175 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1947 ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -78.69 168.34 75.29 Favored 'Cis proline' 0 CA--C 1.555 1.568 0 CA-C-N 119.355 0.805 . . . . 10.0 112.337 -5.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1948 ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -116.65 112.22 20.96 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 125.004 1.322 . . . . 10.0 111.138 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1949 ' ' THR . . . . . . . . . . . . . 57.5 m -73.97 110.14 8.02 Favored 'General case' 0 N--CA 1.49 1.575 0 C-N-CA 125.839 1.656 . . . . 10.0 111.635 173.466 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1950 ' ' ALA . . . . . . . . . . . . . . . -112.08 118.46 35.46 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.793 1.237 . . . . 10.0 112.408 179.561 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1951 ' ' ARG . . . . . . . . . . . . . 11.0 ttm180 -80.84 78.89 7.58 Favored 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 114.425 1.268 . . . . 10.0 114.425 -176.66 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1952 ' ' VAL . . . . . . . . . . . . . 46.6 t -56.7 94.97 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 C-N-CA 128.192 2.597 . . . . 10.0 110.9 168.416 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1953 ' ' THR . . . . . . . . . . . . . 61.5 m -89.18 133.02 34.58 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.253 1.021 . . . . 10.0 112.467 -168.569 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1954 ' ' GLY . . . . . . . . . . . . . . . -82.89 92.41 1.63 Allowed Glycine 0 N--CA 1.468 0.817 0 C-N-CA 126.387 1.946 . . . . 10.0 111.968 176.237 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1955 ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -68.59 -21.88 64.49 Favored 'General case' 0 N--CA 1.483 1.201 0 N-CA-C 113.845 1.054 . . . . 10.0 113.845 -176.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1956 ' ' ASP . . . . . . . . . . . . . 28.6 t70 . . . . . 0 C--O 1.254 1.306 0 C-N-CA 128.833 2.853 . . . . 10.0 111.975 173.009 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A 1868 ' ' VAL . . . . . . . . . . . . . 11.3 m . . . . . 0 N--CA 1.483 1.197 0 CA-C-O 120.293 0.092 . . . . 10.0 110.789 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A 1869 ' ' THR . . . . . . . . . . . . . 16.7 p -139.28 166.27 24.99 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.19 1.396 . . . . 10.0 112.597 -176.714 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1870 ' ' ALA . . . . . . . . . . . . . . . -130.1 145.17 51.67 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 126.666 1.986 . . . . 10.0 111.211 177.131 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1871 ' ' TYR . . . . . . . . . . . . . 48.6 p90 -153.95 172.68 17.05 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 125.233 1.413 . . . . 10.0 111.737 -171.686 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1872 ' ' GLY . . . . . . . . . . . . . . . 111.18 170.05 19.06 Favored Glycine 0 N--CA 1.48 1.587 0 C-N-CA 125.591 1.567 . . . . 10.0 115.411 176.786 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1873 ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -71.47 -23.73 23.25 Favored 'Trans proline' 0 C--N 1.355 0.912 0 C-N-CA 123.778 2.985 . . . . 10.0 113.985 -172.837 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1874 ' ' GLY . . . . . . . . . . . . . . . -70.13 -6.29 56.49 Favored Glycine 0 CA--C 1.534 1.251 0 O-C-N 120.307 -1.496 . . . . 10.0 113.728 175.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1875 ' ' LEU . . . . . . . . . . . . . 42.7 mt -81.58 -17.11 49.44 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 119.332 1.566 . . . . 10.0 112.134 169.819 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1876 ' ' THR . . . . . . . . . . . . . 82.1 p -126.18 -19.09 4.81 Favored 'General case' 0 N--CA 1.485 1.308 0 N-CA-C 114.896 1.443 . . . . 10.0 114.896 -176.371 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1877 ' ' HIS . . . . . . . . . . . . . 43.8 t60 -130.88 175.36 9.12 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 125.663 1.585 . . . . 10.0 110.881 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1878 ' ' GLY . . . . . . . . . . . . . . . -167.32 169.13 40.88 Favored Glycine 0 CA--C 1.542 1.763 0 O-C-N 120.293 -1.504 . . . . 10.0 113.992 -179.185 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1879 ' ' VAL . . . . . . . . . . . . . 11.0 p -137.35 154.93 31.01 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.157 0 C-N-CA 127.247 2.219 . . . . 10.0 109.313 171.788 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1880 ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -121.49 149.87 24.64 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.215 0 N-CA-C 114.259 1.207 . . . . 10.0 114.259 -169.231 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1881 ' ' ASN . . . . . . . . . . . . . 20.6 m120 61.27 0.25 0.41 Allowed 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 127.747 2.419 . . . . 10.0 114.258 -168.594 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1882 ' ' LYS . . . . . . . . . . . . . 48.5 mtmt -128.72 157.72 74.42 Favored Pre-proline 0 CA--C 1.543 0.684 0 C-N-CA 126.366 1.866 . . . . 10.0 109.935 167.351 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1883 ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -67.14 140.15 52.99 Favored 'Trans proline' 0 N--CA 1.447 -1.223 0 C-N-CA 124.624 3.549 . . . . 10.0 113.43 -168.155 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1884 ' ' ALA . . . . . . . . . . . . . . . -106.6 150.72 25.9 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-O 122.583 1.183 . . . . 10.0 110.27 168.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1885 ' ' THR . . . . . . . . . . . . . 49.1 p -147.92 161.09 42.02 Favored 'General case' 0 N--CA 1.474 0.766 0 O-C-N 120.813 -1.179 . . . . 10.0 112.119 -175.339 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1886 ' ' PHE . . . . . . . . . . . . . 51.1 p90 -150.78 177.53 10.0 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 127.284 2.234 . . . . 10.0 110.451 169.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1887 ' ' THR . . . . . . . . . . . . . 24.2 m -126.17 154.9 42.56 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 123.493 0.717 . . . . 10.0 111.067 -176.767 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1888 ' ' VAL . . . . . 0.735 ' CG2' ' H ' ' A' 1920 ' ' CYS . 15.8 m -133.43 -179.04 3.01 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 C-N-CA 126.164 1.786 . . . . 10.0 109.365 177.256 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1889 ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -137.02 63.94 1.55 Allowed 'General case' 0 C--O 1.244 0.8 0 CA-C-O 123.493 1.616 . . . . 10.0 110.641 168.337 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 17.6 p -80.24 66.84 5.88 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 128.315 2.646 . . . . 10.0 111.11 -176.521 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1891 ' ' LYS . . . . . . . . . . . . . 25.6 pttm -64.19 -26.88 68.72 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 116.985 2.216 . . . . 10.0 116.985 -169.868 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 29.8 t70 -137.62 9.12 2.87 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 126.184 1.794 . . . . 10.0 113.253 -178.142 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1893 ' ' ALA . . . . . . . . . . . . . . . -60.06 -22.64 62.96 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 117.773 2.509 . . . . 10.0 117.773 -169.453 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 1.828 0 C-N-CA 125.437 1.494 . . . . 10.0 113.968 179.899 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A 1898 ' ' LEU . . . . . . . . . . . . . 3.1 tm? . . . . . 0 N--CA 1.478 0.957 0 CA-C-O 119.841 -0.124 . . . . 10.0 111.062 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A 1899 ' ' SER . . . . . . . . . . . . . 23.0 t -151.19 146.41 26.08 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 125.448 1.499 . . . . 10.0 110.023 168.784 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1900 ' ' LEU . . . . . . . . . . . . . 3.9 pp -151.69 164.5 36.8 Favored 'General case' 0 C--O 1.239 0.529 0 C-N-CA 124.467 1.107 . . . . 10.0 113.924 174.241 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1901 ' ' ALA . . . . . . . . . . . . . . . -151.47 171.12 18.04 Favored 'General case' 0 CA--C 1.554 1.107 0 C-N-CA 124.786 1.234 . . . . 10.0 111.11 169.884 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1902 ' ' ILE . . . . . . . . . . . . . 1.8 mp -114.57 136.47 51.09 Favored 'Isoleucine or valine' 0 C--O 1.238 0.466 0 C-N-CA 125.619 1.568 . . . . 10.0 108.85 170.369 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1903 ' ' GLU . . . . . . . . . . . . . 87.9 mt-10 -113.08 165.99 11.84 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 127.005 2.122 . . . . 10.0 111.42 169.612 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1904 ' ' GLY . . . . . . . . . . . . . . . 166.24 -165.38 38.18 Favored Glycine 0 CA--C 1.535 1.287 0 O-C-N 121.766 -0.584 . . . . 10.0 112.759 -178.38 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1905 ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -73.43 -22.65 18.3 Favored 'Trans proline' 0 CA--C 1.538 0.694 0 C-N-CA 121.909 1.74 . . . . 10.0 113.581 178.327 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1906 ' ' SER . . . . . . . . . . . . . 10.1 t -142.13 10.41 1.93 Allowed 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 126.181 1.792 . . . . 10.0 113.657 -168.595 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1907 ' ' LYS . . . . . . . . . . . . . 37.9 ttmt 37.35 91.19 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 129.949 3.3 . . . . 10.0 115.856 171.131 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1908 ' ' ALA . . . . . . . . . . . . . . . -54.54 147.27 14.46 Favored 'General case' 0 CA--C 1.553 1.084 0 N-CA-C 114.382 1.253 . . . . 10.0 114.382 -175.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1909 ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -83.12 113.99 21.01 Favored 'General case' 0 CA--C 1.536 0.434 0 O-C-N 120.716 -1.24 . . . . 10.0 112.903 -178.741 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1910 ' ' ILE . . . . . . . . . . . . . 30.1 mm -76.28 135.36 27.02 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.49 0 C-N-CA 125.306 1.442 . . . . 10.0 110.707 -176.286 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1911 ' ' SER . . . . . . . . . . . . . 15.5 t -142.96 167.37 22.22 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 127.221 2.209 . . . . 10.0 110.736 169.533 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1912 ' ' CYS . . . . . . . . . . . . . 28.5 p -151.35 167.21 28.62 Favored 'General case' 0 CA--C 1.541 0.609 0 O-C-N 120.271 -1.518 . . . . 10.0 113.969 -178.337 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1913 ' ' THR . . . . . . . . . . . . . 23.0 m -135.44 157.61 46.45 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 127.422 2.289 . . . . 10.0 110.126 176.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1914 ' ' ASP . . . . . . . . . . . . . 5.2 t0 -57.6 153.65 12.78 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 124.959 1.304 . . . . 10.0 112.146 175.165 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1915 ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -64.43 178.17 0.77 Allowed 'General case' 0 CA--C 1.556 1.187 0 C-N-CA 126.258 1.823 . . . . 10.0 114.163 179.391 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1916 ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -130.45 -54.24 1.09 Allowed 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.568 1.547 . . . . 10.0 112.426 172.629 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1917 ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -134.17 11.55 3.88 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 126.362 1.865 . . . . 10.0 113.733 -178.401 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1918 ' ' GLY . . . . . . . . . . . . . . . 105.47 57.69 0.66 Allowed Glycine 0 CA--C 1.544 1.87 0 C-N-CA 124.752 1.168 . . . . 10.0 112.882 -173.036 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1919 ' ' THR . . . . . . . . . . . . . 6.3 t -146.85 150.03 34.46 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.706 1.202 . . . . 10.0 112.995 175.308 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1920 ' ' CYS . . . . . 0.735 ' H ' ' CG2' ' A' 1888 ' ' VAL . 5.5 t -92.08 94.73 9.38 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 130.515 3.526 . . . . 10.0 110.129 -175.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1921 ' ' SER . . . . . . . . . . . . . 71.0 m -75.2 72.82 2.3 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.082 1.353 . . . . 10.0 112.465 179.299 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1922 ' ' VAL . . . . . . . . . . . . . 79.8 t -80.23 125.36 39.02 Favored 'Isoleucine or valine' 0 C--O 1.247 0.958 0 C-N-CA 126.316 1.846 . . . . 10.0 111.152 177.26 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1923 ' ' SER . . . . . . . . . . . . . 68.5 m -117.24 121.52 41.43 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 125.121 1.369 . . . . 10.0 108.602 169.5 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1924 ' ' TYR . . . . . . . . . . . . . 28.0 p90 -121.04 145.93 47.25 Favored 'General case' 0 CA--C 1.536 0.432 0 O-C-N 121.048 -1.032 . . . . 10.0 111.423 177.179 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1925 ' ' LEU . . . . . . . . . . . . . 1.8 mt -120.62 94.28 48.77 Favored Pre-proline 0 CA--C 1.549 0.927 0 C-N-CA 124.64 1.176 . . . . 10.0 111.701 -173.664 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1926 ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -71.98 133.8 22.26 Favored 'Trans proline' 0 CA--C 1.545 1.072 0 C-N-CA 122.307 2.005 . . . . 10.0 109.563 169.068 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1927 ' ' VAL . . . . . . . . . . . . . 31.4 m -103.52 -17.64 7.06 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 C-N-CA 124.499 1.12 . . . . 10.0 113.532 -173.729 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1928 ' ' LEU . . . . . . . . . . . . . 1.3 mp -138.23 150.74 67.85 Favored Pre-proline 0 CA--C 1.555 1.15 0 C-N-CA 125.113 1.365 . . . . 10.0 111.421 169.549 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1929 ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -57.08 158.11 18.75 Favored 'Trans proline' 0 N--CA 1.478 0.611 0 C-N-CA 123.047 2.498 . . . . 10.0 113.959 -178.009 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1930 ' ' GLY . . . . . . . . . . . . . . . 166.9 179.08 39.78 Favored Glycine 0 CA--C 1.533 1.187 0 N-CA-C 116.355 1.302 . . . . 10.0 116.355 -176.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1931 ' ' ASP . . . . . . . . . . . . . 10.9 t70 -109.78 68.52 0.67 Allowed 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 127.325 2.25 . . . . 10.0 109.05 179.752 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1932 ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -68.56 159.51 31.74 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 125.135 1.374 . . . . 10.0 111.952 -170.693 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1933 ' ' SER . . . . . . . . . . . . . 49.9 m -116.6 135.5 53.75 Favored 'General case' 0 N--CA 1.478 0.949 0 O-C-N 121.223 -0.923 . . . . 10.0 111.302 173.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1934 ' ' ILE . . . . . . . . . . . . . 7.2 mm -95.91 119.38 43.89 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.939 0 C-N-CA 124.061 0.945 . . . . 10.0 108.483 171.796 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1935 ' ' LEU . . . . . . . . . . . . . 3.2 mm? -110.78 96.3 6.08 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 125.122 1.369 . . . . 10.0 108.847 -178.127 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1936 ' ' VAL . . . . . . . . . . . . . 11.3 t -104.09 140.51 21.99 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 C-N-CA 123.802 0.841 . . . . 10.0 110.082 177.424 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1937 ' ' LYS . . . . . . . . . . . . . 68.3 mttm -131.09 148.32 52.72 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 127.475 2.31 . . . . 10.0 111.172 174.807 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1938 ' ' TYR . . . . . . . . . . . . . 41.4 t80 -137.74 120.52 16.36 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 125.557 1.543 . . . . 10.0 110.051 168.129 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1939 ' ' ASN . . . . . . . . . . . . . 3.8 t-20 51.6 68.24 0.83 Allowed 'General case' 0 CA--C 1.556 1.21 0 C-N-CA 125.797 1.639 . . . . 10.0 113.886 -179.644 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1940 ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 73.08 -2.06 2.85 Favored 'General case' 0 CA--C 1.558 1.269 0 C-N-CA 128.803 2.841 . . . . 10.0 116.515 170.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1941 ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -141.23 167.61 21.76 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-N 119.408 1.003 . . . . 10.0 113.491 174.096 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1942 ' ' HIS . . . . . . . . . . . . . 87.7 m-70 -64.26 151.9 42.44 Favored 'General case' 0 N--CA 1.481 1.086 0 N-CA-C 114.461 1.282 . . . . 10.0 114.461 -179.016 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1943 ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -67.48 163.85 43.67 Favored Pre-proline 0 CA--C 1.539 0.52 0 C-N-CA 125.706 1.602 . . . . 10.0 113.977 -178.065 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1944 ' ' PRO . . . . . . . . . . . . . 33.9 Cg_exo -58.19 105.12 0.2 Allowed 'Trans proline' 0 CA--C 1.538 0.685 0 C-N-CA 125.108 3.872 . . . . 10.0 111.739 177.747 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1945 ' ' GLY . . . . . . . . . . . . . . . 91.82 -2.74 76.9 Favored Glycine 0 CA--C 1.538 1.53 0 C-N-CA 125.5 1.524 . . . . 10.0 116.39 -179.075 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1946 ' ' SER . . . . . . . . . . . . . 2.7 m -66.56 161.12 62.36 Favored Pre-proline 0 N--CA 1.481 1.101 0 CA-C-N 120.136 1.968 . . . . 10.0 112.076 170.52 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1947 ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -73.95 172.75 59.91 Favored 'Cis proline' 0 CA--C 1.551 1.329 0 CA-C-N 118.939 0.657 . . . . 10.0 112.779 -9.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1948 ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -120.59 169.74 10.08 Favored 'General case' 0 CA--C 1.556 1.194 0 C-N-CA 126.139 1.776 . . . . 10.0 111.114 173.468 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1949 ' ' THR . . . . . . . . . . . . . 17.6 m -137.8 99.39 3.9 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.668 1.187 . . . . 10.0 112.044 -173.845 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1950 ' ' ALA . . . . . . . . . . . . . . . -91.28 107.28 19.09 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 126.16 1.784 . . . . 10.0 113.298 -174.37 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1951 ' ' ARG . . . . . . . . . . . . . 35.7 ttm180 -90.31 94.99 9.97 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 122.873 1.32 . . . . 10.0 114.345 -179.088 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1952 ' ' VAL . . . . . . . . . . . . . 42.1 t -58.83 114.21 0.8 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 C-N-CA 129.449 3.099 . . . . 10.0 112.193 169.479 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1953 ' ' THR . . . . . . . . . . . . . 6.2 t -67.09 -37.4 83.88 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 114.476 1.287 . . . . 10.0 114.476 -169.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1954 ' ' GLY . . . . . . . . . . . . . . . 67.33 78.72 0.25 Allowed Glycine 0 CA--C 1.534 1.23 0 C-N-CA 124.664 1.126 . . . . 10.0 113.68 -177.214 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1955 ' ' ASP . . . . . . . . . . . . . 31.3 t70 -67.04 -26.05 66.56 Favored 'General case' 0 CA--C 1.555 1.163 0 N-CA-C 114.574 1.324 . . . . 10.0 114.574 178.664 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1956 ' ' ASP . . . . . . . . . . . . . 20.4 t70 . . . . . 0 N--CA 1.488 1.445 0 C-N-CA 130.551 3.541 . . . . 10.0 116.679 179.438 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A 1868 ' ' VAL . . . . . . . . . . . . . 10.8 p . . . . . 0 N--CA 1.482 1.134 0 N-CA-C 112.941 0.719 . . . . 10.0 112.941 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A 1869 ' ' THR . . . . . . . . . . . . . 43.5 p -142.05 165.16 28.22 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 125.877 1.671 . . . . 10.0 112.122 179.15 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1870 ' ' ALA . . . . . . . . . . . . . . . -134.38 130.05 36.31 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.669 1.588 . . . . 10.0 110.515 172.885 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1871 ' ' TYR . . . . . . . . . . . . . 40.8 p90 -156.86 173.14 17.43 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 124.682 1.193 . . . . 10.0 111.728 -172.147 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1872 ' ' GLY . . . . . . . . . . . . . . . 117.54 167.63 14.34 Favored Glycine 0 CA--C 1.551 2.317 0 C-N-CA 125.179 1.371 . . . . 10.0 114.167 175.156 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1873 ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -68.22 -27.97 34.37 Favored 'Trans proline' 0 N--CA 1.455 -0.748 0 C-N-CA 122.03 1.82 . . . . 10.0 112.548 -175.434 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1874 ' ' GLY . . . . . . . . . . . . . . . -65.6 -3.68 15.56 Favored Glycine 0 CA--C 1.539 1.571 0 CA-C-O 118.131 -1.372 . . . . 10.0 116.372 178.149 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1875 ' ' LEU . . . . . . . . . . . . . 61.0 mt -93.99 -10.76 32.56 Favored 'General case' 0 CA--C 1.552 1.037 0 CA-C-N 120.481 2.141 . . . . 10.0 113.399 169.033 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1876 ' ' THR . . . . . . . . . . . . . 80.8 p -135.51 -15.55 1.87 Allowed 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 125.092 1.357 . . . . 10.0 114.006 -171.331 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1877 ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -145.13 -179.29 6.53 Favored 'General case' 0 CA--C 1.555 1.146 0 C-N-CA 128.286 2.635 . . . . 10.0 112.073 177.853 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1878 ' ' GLY . . . . . . . . . . . . . . . -173.85 175.09 46.45 Favored Glycine 0 N--CA 1.483 1.784 0 O-C-N 120.471 -1.393 . . . . 10.0 113.315 178.757 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1879 ' ' VAL . . . . . . . . . . . . . 19.6 t -133.79 108.56 11.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 125.398 1.479 . . . . 10.0 109.957 176.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1880 ' ' VAL . . . . . 0.504 HG23 HG12 ' A' 1952 ' ' VAL . 94.1 t -61.25 134.6 26.59 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.285 0 O-C-N 120.674 -1.266 . . . . 10.0 110.848 177.865 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1881 ' ' ASN . . . . . . . . . . . . . 87.1 m-20 67.14 8.62 6.32 Favored 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 127.391 2.277 . . . . 10.0 116.722 -176.443 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1882 ' ' LYS . . . . . . . . . . . . . 1.7 tttp -124.14 147.06 53.38 Favored Pre-proline 0 N--CA 1.482 1.141 0 CA-C-N 119.116 0.871 . . . . 10.0 111.608 168.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1883 ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -51.43 112.44 0.81 Allowed 'Trans proline' 0 C--N 1.357 1.016 0 C-N-CA 124.107 3.205 . . . . 10.0 112.859 172.825 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1884 ' ' ALA . . . . . . . . . . . . . . . -94.92 153.67 17.57 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.47 1.108 . . . . 10.0 109.869 174.458 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1885 ' ' THR . . . . . . . . . . . . . 57.5 p -148.66 151.52 35.09 Favored 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 114.061 1.134 . . . . 10.0 114.061 -173.362 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1886 ' ' PHE . . . . . . . . . . . . . 22.9 p90 -143.44 162.66 35.22 Favored 'General case' 0 C--O 1.244 0.783 0 C-N-CA 125.161 1.384 . . . . 10.0 109.917 166.725 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1887 ' ' THR . . . . . . . . . . . . . 48.0 m -112.88 133.03 55.05 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.091 0.956 . . . . 10.0 110.131 -169.638 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1888 ' ' VAL . . . . . . . . . . . . . 5.2 m -127.71 143.87 39.35 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 C-N-CA 125.8 1.64 . . . . 10.0 108.153 167.645 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1889 ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -136.61 95.56 3.17 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 126.179 1.792 . . . . 10.0 110.797 -166.666 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 40.9 p -94.37 20.0 8.83 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 128.617 2.767 . . . . 10.0 113.854 -173.218 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1891 ' ' LYS . . . . . . . . . . . . . 22.5 pttm -31.74 -49.26 0.17 Allowed 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 130.234 3.413 . . . . 10.0 116.348 -177.266 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 37.7 t70 -118.13 5.05 11.98 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 125.783 1.633 . . . . 10.0 112.376 -177.48 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1893 ' ' ALA . . . . . . . . . . . . . . . -87.13 14.04 8.35 Favored 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 128.852 2.861 . . . . 10.0 114.757 -169.321 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 1.794 0 C-N-CA 126.807 2.146 . . . . 10.0 113.286 -177.513 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A 1898 ' ' LEU . . . . . . . . . . . . . 3.2 tm? . . . . . 0 N--CA 1.469 0.511 0 N-CA-C 109.445 -0.576 . . . . 10.0 109.445 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A 1899 ' ' SER . . . . . . . . . . . . . 21.4 t -149.1 148.63 29.91 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 125.329 1.452 . . . . 10.0 111.287 176.73 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1900 ' ' LEU . . . . . . . . . . . . . 1.7 pp -154.65 171.68 19.1 Favored 'General case' 0 C--O 1.237 0.415 0 N-CA-C 115.745 1.757 . . . . 10.0 115.745 -178.414 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1901 ' ' ALA . . . . . . . . . . . . . . . -154.04 173.97 15.3 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.794 1.238 . . . . 10.0 111.843 168.55 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1902 ' ' ILE . . . . . . . . . . . . . 1.3 mp -123.0 145.99 29.01 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.871 0 C-N-CA 126.672 1.989 . . . . 10.0 110.689 175.524 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1903 ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -124.19 168.97 12.2 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 126.164 1.786 . . . . 10.0 110.048 170.502 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1904 ' ' GLY . . . . . . . . . . . . . . . 167.03 -163.0 36.79 Favored Glycine 0 CA--C 1.539 1.534 0 C-N-CA 123.863 0.744 . . . . 10.0 112.72 -178.558 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1905 ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -70.09 -17.59 36.0 Favored 'Trans proline' 0 C--N 1.355 0.9 0 C-N-CA 123.887 3.058 . . . . 10.0 112.787 172.143 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1906 ' ' SER . . . . . . . . . . . . . 9.1 t -151.36 170.93 18.36 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 128.992 2.917 . . . . 10.0 109.48 -168.609 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1907 ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -91.22 173.24 8.03 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.719 1.208 . . . . 10.0 111.97 175.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1908 ' ' ALA . . . . . . . . . . . . . . . -140.31 155.2 46.91 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.902 1.281 . . . . 10.0 110.932 171.185 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1909 ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -86.06 83.48 7.75 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.424 1.49 . . . . 10.0 111.855 -176.489 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1910 ' ' ILE . . . . . . . . . . . . . 11.6 mm -68.4 133.21 32.11 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 C-N-CA 124.636 1.174 . . . . 10.0 111.822 -173.795 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1911 ' ' SER . . . . . . . . . . . . . 16.0 t -146.88 97.42 2.9 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 126.409 1.884 . . . . 10.0 112.017 171.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1912 ' ' CYS . . . . . . . . . . . . . 26.4 p -69.82 149.27 48.08 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-O 121.676 0.75 . . . . 10.0 112.171 170.579 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1913 ' ' THR . . . . . . . . . . . . . 44.2 m -78.87 154.42 29.79 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.718 1.207 . . . . 10.0 112.459 168.866 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1914 ' ' ASP . . . . . . . . . . . . . 21.4 t0 -135.75 93.2 2.91 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.64 1.576 . . . . 10.0 110.895 170.437 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1915 ' ' ASN . . . . . . . . . . . . . 61.2 t-20 -123.7 133.68 53.84 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 125.455 1.502 . . . . 10.0 110.832 -170.615 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1916 ' ' GLN . . . . . . . . . . . . . 27.3 mp0 -60.69 -8.48 2.97 Favored 'General case' 0 CA--C 1.553 1.075 0 C-N-CA 126.093 1.757 . . . . 10.0 113.974 174.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1917 ' ' ASP . . . . . . . . . . . . . 32.9 t70 -80.31 -11.56 59.7 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 126.069 1.747 . . . . 10.0 112.723 176.617 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1918 ' ' GLY . . . . . . . . . . . . . . . 90.67 53.84 2.19 Favored Glycine 0 C--N 1.339 0.727 0 C-N-CA 125.544 1.545 . . . . 10.0 113.603 177.617 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1919 ' ' THR . . . . . . . . . . . . . 71.6 p -136.74 155.61 49.61 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 124.523 1.129 . . . . 10.0 111.044 174.302 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1920 ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -123.39 4.52 9.07 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 124.624 1.169 . . . . 10.0 113.086 175.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1921 ' ' SER . . . . . . . . . . . . . 60.3 m -8.33 99.56 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 130.067 3.347 . . . . 10.0 116.207 -179.666 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1922 ' ' VAL . . . . . . . . . . . . . 59.5 t -80.05 106.12 10.67 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.675 0 C-N-CA 125.626 1.57 . . . . 10.0 111.651 -176.468 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1923 ' ' SER . . . . . . . . . . . . . 68.1 m -89.4 144.03 26.37 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 124.344 1.057 . . . . 10.0 108.607 165.782 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1924 ' ' TYR . . . . . . . . . . . . . 24.4 p90 -148.43 165.62 30.59 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.763 1.625 . . . . 10.0 109.889 173.846 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1925 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -136.19 93.18 15.18 Favored Pre-proline 0 N--CA 1.479 0.982 0 O-C-N 120.909 -1.119 . . . . 10.0 109.667 -176.913 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1926 ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -72.18 139.35 32.26 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 122.496 2.131 . . . . 10.0 109.757 178.211 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1927 ' ' VAL . . . . . . . . . . . . . 28.7 m -112.64 -7.62 11.94 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 C-N-CA 124.675 1.19 . . . . 10.0 113.59 -174.748 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1928 ' ' LEU . . . . . . . . . . . . . 3.8 tt -146.12 135.13 11.19 Favored Pre-proline 0 CA--C 1.549 0.938 0 C-N-CA 125.093 1.357 . . . . 10.0 110.124 -177.487 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1929 ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo -51.56 132.18 39.75 Favored 'Trans proline' 0 N--CA 1.491 1.341 0 C-N-CA 123.912 3.075 . . . . 10.0 114.459 175.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1930 ' ' GLY . . . . . . . . . . . . . . . -172.57 173.63 45.45 Favored Glycine 0 CA--C 1.528 0.873 0 N-CA-C 116.435 1.334 . . . . 10.0 116.435 -174.651 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1931 ' ' ASP . . . . . . . . . . . . . 33.7 m-20 -104.91 61.75 0.7 Allowed 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 127.071 2.148 . . . . 10.0 110.474 178.735 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1932 ' ' TYR . . . . . . . . . . . . . 56.0 m-85 -63.2 115.46 4.53 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.287 1.035 . . . . 10.0 113.628 -168.622 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1933 ' ' SER . . . . . . . . . . . . . 66.4 m -74.02 145.84 44.22 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-O 121.376 0.608 . . . . 10.0 110.826 172.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1934 ' ' ILE . . . . . . . . . . . . . 3.9 mm -114.94 124.46 71.62 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 C-N-CA 126.562 1.945 . . . . 10.0 109.666 175.442 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1935 ' ' LEU . . . . . . . . . . . . . 2.8 mm? -117.36 95.35 4.93 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 125.185 1.394 . . . . 10.0 109.837 -173.852 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1936 ' ' VAL . . . . . . . . . . . . . 15.9 t -105.84 138.73 29.73 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 O-C-N 120.895 -1.128 . . . . 10.0 109.79 -177.097 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1937 ' ' LYS . . . . . . . . . . . . . 98.3 mttt -129.39 151.65 49.79 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.873 1.669 . . . . 10.0 111.185 174.006 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1938 ' ' TYR . . . . . . . . . . . . . 80.3 t80 -137.22 103.41 5.1 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 108.246 -1.02 . . . . 10.0 108.246 171.25 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1939 ' ' ASN . . . . . . . . . . . . . 1.2 t30 59.52 73.87 0.46 Allowed 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 127.608 2.363 . . . . 10.0 113.013 -169.863 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1940 ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 58.03 -9.25 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.747 0 C-N-CA 129.939 3.295 . . . . 10.0 117.815 175.825 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1941 ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -111.33 145.32 39.04 Favored 'General case' 0 C--O 1.238 0.461 0 C-N-CA 126.022 1.729 . . . . 10.0 110.202 177.18 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1942 ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -62.03 148.75 43.03 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-O 121.772 0.796 . . . . 10.0 113.147 175.875 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1943 ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.82 166.39 15.7 Favored Pre-proline 0 CA--C 1.549 0.912 0 C-N-CA 126.41 1.884 . . . . 10.0 113.106 -174.54 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1944 ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -58.52 1.54 0.26 Allowed 'Trans proline' 0 CA--C 1.55 1.323 1 C-N-CA 126.84 5.027 . . . . 10.0 118.046 -172.864 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1945 ' ' GLY . . . . . . . . . . . . . . . -148.82 2.97 0.67 Allowed Glycine 0 CA--C 1.539 1.584 0 C-N-CA 126.779 2.133 . . . . 10.0 115.47 176.603 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1946 ' ' SER . . . . . . . . . . . . . 1.5 m -76.35 162.32 71.53 Favored Pre-proline 0 N--CA 1.482 1.148 0 CA-C-N 120.282 2.041 . . . . 10.0 112.52 -175.485 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1947 ' ' PRO . . . . . . . . . . . . . 64.8 Cg_endo -73.03 172.57 59.58 Favored 'Cis proline' 0 CA--C 1.537 0.64 0 CA-C-O 121.515 0.548 . . . . 10.0 112.775 -10.706 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1948 ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -120.89 168.59 11.31 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.369 1.468 . . . . 10.0 111.328 173.317 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1949 ' ' THR . . . . . . . . . . . . . 24.6 m -142.44 99.08 3.42 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 124.73 1.212 . . . . 10.0 110.293 -179.266 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1950 ' ' ALA . . . . . . . . . . . . . . . -70.72 163.72 26.57 Favored 'General case' 0 N--CA 1.446 -0.631 0 C-N-CA 125.485 1.514 . . . . 10.0 113.077 175.063 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1951 ' ' ARG . . . . . . . . . . . . . 19.6 ttm180 -134.0 78.49 1.76 Allowed 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 126.124 1.77 . . . . 10.0 110.347 178.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1952 ' ' VAL . . . . . 0.504 HG12 HG23 ' A' 1880 ' ' VAL . 3.0 t -66.23 97.74 0.27 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.543 0 C-N-CA 127.245 2.218 . . . . 10.0 111.559 177.178 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1953 ' ' THR . . . . . . . . . . . . . 35.2 p -70.51 129.49 39.38 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.011 0.924 . . . . 10.0 111.819 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1954 ' ' GLY . . . . . . . . . . . . . . . -85.67 179.51 50.23 Favored Glycine 0 CA--C 1.534 1.272 0 C-N-CA 126.549 2.023 . . . . 10.0 113.622 177.572 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1955 ' ' ASP . . . . . . . . . . . . . 33.0 t70 -124.15 -29.14 3.62 Favored 'General case' 0 CA--C 1.558 1.257 0 C-N-CA 125.278 1.431 . . . . 10.0 113.609 175.438 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1956 ' ' ASP . . . . . . . . . . . . . 28.9 t70 . . . . . 0 C--O 1.258 1.552 0 C-N-CA 124.527 1.131 . . . . 10.0 112.898 177.374 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.888 0 N-CA-C 112.15 -0.38 . . . . 10.0 112.15 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' -3' ' ' ALA . . . . . . . . . . . . . . . -82.62 172.19 13.22 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.533 1.533 . . . . 10.0 113.294 175.621 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 24.5 mmt -122.04 163.48 19.33 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 127.46 2.304 . . . . 10.0 109.852 171.043 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -1' ' ' VAL . . . . . . . . . . . . . 10.3 p -58.91 -23.28 23.52 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.161 0 C-N-CA 125.298 1.439 . . . . 10.0 114.319 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1863 ' ' VAL . . . . . . . . . . . . . 35.0 m -80.39 -9.38 12.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 C-N-CA 125.713 1.605 . . . . 10.0 115.098 -178.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1864 ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -128.25 14.75 6.7 Favored 'General case' 0 N--CA 1.482 1.165 0 N-CA-C 115.862 1.801 . . . . 10.0 115.862 -173.144 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1865 ' ' CYS . . . . . . . . . . . . . 79.3 m -56.07 154.66 7.37 Favored 'General case' 0 CA--C 1.557 1.221 0 C-N-CA 124.822 1.249 . . . . 10.0 113.663 -177.437 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1866 ' ' GLY . . . . . . . . . . . . . . . -66.87 176.29 21.48 Favored Glycine 0 N--CA 1.475 1.278 0 C-N-CA 126.86 2.172 . . . . 10.0 116.714 -175.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1867 ' ' HIS . . . . . . . . . . . . . 26.0 m170 -71.35 -25.59 62.45 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 125.158 1.383 . . . . 10.0 113.007 -175.242 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1868 ' ' VAL . . . . . . . . . . . . . 14.7 p -151.9 132.12 4.0 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 C-N-CA 126.788 2.035 . . . . 10.0 109.839 -178.615 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1869 ' ' THR . . . . . . . . . . . . . 20.6 m -137.72 155.3 49.23 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 125.73 1.612 . . . . 10.0 110.539 -170.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1870 ' ' ALA . . . . . . . . . . . . . . . -131.63 127.55 37.26 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 126.238 1.815 . . . . 10.0 110.108 169.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1871 ' ' TYR . . . . . . . . . . . . . 42.5 p90 -148.89 162.57 39.59 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.974 1.31 . . . . 10.0 113.186 -175.294 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1872 ' ' GLY . . . . . . . . . . . . . . . 123.48 169.42 13.21 Favored Glycine 0 CA--C 1.54 1.646 0 C-N-CA 124.545 1.069 . . . . 10.0 114.055 178.637 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1873 ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.52 -24.01 31.24 Favored 'Trans proline' 0 C--N 1.358 1.047 0 C-N-CA 122.818 2.345 . . . . 10.0 113.592 -177.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1874 ' ' GLY . . . . . . . . . . . . . . . -70.32 -3.32 46.08 Favored Glycine 0 CA--C 1.533 1.189 0 CA-C-O 118.291 -1.283 . . . . 10.0 115.762 178.549 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1875 ' ' LEU . . . . . . . . . . . . . 89.2 mt -89.19 -15.9 32.61 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 119.142 1.471 . . . . 10.0 113.273 168.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1876 ' ' THR . . . . . . . . . . . . . 8.9 t -128.74 -23.57 3.1 Favored 'General case' 0 N--CA 1.484 1.26 0 N-CA-C 115.054 1.501 . . . . 10.0 115.054 -167.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1877 ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -140.83 168.46 19.74 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 125.754 1.622 . . . . 10.0 111.038 177.179 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1878 ' ' GLY . . . . . . . . . . . . . . . -152.03 170.45 31.39 Favored Glycine 0 N--CA 1.478 1.437 0 C-N-CA 124.776 1.179 . . . . 10.0 114.182 178.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1879 ' ' VAL . . . . . . . . . . . . . 40.8 t -135.1 114.25 16.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 125.044 1.337 . . . . 10.0 109.016 174.007 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1880 ' ' VAL . . . . . 0.42 HG23 HG12 ' A' 1952 ' ' VAL . 91.1 t -60.35 134.52 25.62 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.519 0 C-N-CA 123.927 0.891 . . . . 10.0 111.265 179.76 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1881 ' ' ASN . . . . . . . . . . . . . 87.2 m-20 64.95 4.84 2.63 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 128.314 2.646 . . . . 10.0 116.691 -178.449 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1882 ' ' LYS . . . . . 0.416 ' HA ' ' HD3' ' A' 1883 ' ' PRO . 0.3 OUTLIER -122.18 139.52 30.72 Favored Pre-proline 0 CA--C 1.545 0.769 0 CA-C-N 121.422 1.919 . . . . 10.0 111.077 170.337 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 1883 ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' 1882 ' ' LYS . 73.6 Cg_exo -52.85 122.12 10.47 Favored 'Trans proline' 0 CA--C 1.536 0.606 0 C-N-CA 123.635 2.89 . . . . 10.0 113.419 -171.178 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1884 ' ' ALA . . . . . . . . . . . . . . . -93.0 138.71 31.24 Favored 'General case' 0 C--O 1.241 0.619 0 C-N-CA 124.465 1.106 . . . . 10.0 109.371 173.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1885 ' ' THR . . . . . . . . . . . . . 33.9 p -143.38 151.43 40.41 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 113.295 0.85 . . . . 10.0 113.295 -174.699 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1886 ' ' PHE . . . . . . . . . . . . . 44.8 p90 -149.92 169.16 21.79 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.072 1.349 . . . . 10.0 111.062 167.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1887 ' ' THR . . . . . . . . . . . . . 79.6 m -110.46 139.79 45.34 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.433 1.093 . . . . 10.0 111.424 -173.566 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1888 ' ' VAL . . . . . 0.429 HG23 ' HB3' ' A' 1920 ' ' CYS . 3.9 m -124.87 152.1 30.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 125.664 1.585 . . . . 10.0 109.189 168.658 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1889 ' ' ASN . . . . . . . . . . . . . 45.2 t30 -147.27 101.09 3.35 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 125.655 1.582 . . . . 10.0 111.943 -169.526 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1890 ' ' THR . . . . . . . . . . . . . 24.3 p -79.29 34.72 0.26 Allowed 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 126.171 1.788 . . . . 10.0 113.569 179.065 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1891 ' ' LYS . . . . . . . . . . . . . 12.1 ptmm? -37.97 -39.35 0.38 Allowed 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 128.945 2.898 . . . . 10.0 117.439 -171.247 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -124.63 -12.48 7.17 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 124.686 1.194 . . . . 10.0 113.954 171.145 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1893 ' ' ALA . . . . . . . . . . . . . . . -63.67 -37.22 86.53 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 125.762 1.625 . . . . 10.0 115.333 171.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . 149.37 -162.17 28.96 Favored Glycine 0 CA--C 1.538 1.515 0 CA-C-N 119.147 0.885 . . . . 10.0 114.409 -178.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1895 ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -79.02 -6.66 56.9 Favored 'General case' 0 CA--C 1.557 1.233 0 C-N-CA 125.126 1.37 . . . . 10.0 114.37 175.034 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1896 ' ' GLY . . . . . . . . . . . . . . . 155.08 -147.97 17.69 Favored Glycine 0 CA--C 1.55 2.271 0 C-N-CA 125.273 1.416 . . . . 10.0 111.872 -173.515 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1897 ' ' GLY . . . . . . . . . . . . . . . 95.98 -9.48 68.03 Favored Glycine 0 CA--C 1.55 2.245 0 C-N-CA 125.288 1.423 . . . . 10.0 115.709 169.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1898 ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -70.33 167.5 17.95 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 118.46 1.13 . . . . 10.0 111.339 170.211 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1899 ' ' SER . . . . . . . . . . . . . 9.4 t -146.48 160.78 41.66 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 120.821 -1.174 . . . . 10.0 112.827 -177.553 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1900 ' ' LEU . . . . . 0.57 HD11 HG21 ' A' 1922 ' ' VAL . 73.3 mt -129.72 163.75 25.48 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.638 1.175 . . . . 10.0 114.152 179.225 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1901 ' ' ALA . . . . . . . . . . . . . . . -145.72 145.28 30.8 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 126.202 1.801 . . . . 10.0 107.755 165.435 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1902 ' ' ILE . . . . . . . . . . . . . 1.1 mp -124.43 132.4 71.4 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 124.842 1.257 . . . . 10.0 109.363 179.396 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1903 ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 -118.09 172.49 7.38 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 127.252 2.221 . . . . 10.0 111.269 177.187 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1904 ' ' GLY . . . . . . . . . . . . . . . 155.58 -162.81 31.35 Favored Glycine 0 CA--C 1.546 1.99 0 C-N-CA 125.412 1.482 . . . . 10.0 112.409 -175.343 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1905 ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -71.11 -17.95 31.16 Favored 'Trans proline' 0 CA--C 1.545 1.029 0 C-N-CA 123.565 2.844 . . . . 10.0 112.907 169.028 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1906 ' ' SER . . . . . . . . . . . . . 13.8 t -149.68 171.65 16.34 Favored 'General case' 0 C--O 1.243 0.732 0 C-N-CA 128.834 2.854 . . . . 10.0 109.478 -167.096 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1907 ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -116.33 173.84 6.38 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.268 1.427 . . . . 10.0 112.22 -170.477 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1908 ' ' ALA . . . . . . . . . . . . . . . -144.23 171.55 14.15 Favored 'General case' 0 CA--C 1.56 1.351 0 C-N-CA 126.591 1.957 . . . . 10.0 112.434 178.013 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1909 ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -96.12 -6.43 38.49 Favored 'General case' 0 N--CA 1.484 1.266 0 N-CA-C 116.016 1.858 . . . . 10.0 116.016 -170.035 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1910 ' ' ILE . . . . . . . . . . . . . 4.0 mt 25.29 72.21 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 131.371 3.869 . . . . 10.0 113.073 -176.336 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1911 ' ' SER . . . . . . . . . . . . . 6.0 t -81.18 170.18 16.45 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.308 1.443 . . . . 10.0 111.865 171.025 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1912 ' ' CYS . . . . . . . . . . . . . 30.3 p -149.27 172.96 14.03 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 113.391 0.886 . . . . 10.0 113.391 171.675 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1913 ' ' THR . . . . . . . . . . . . . 24.3 m -139.02 133.97 32.38 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 125.706 1.602 . . . . 10.0 110.905 178.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1914 ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -70.51 -42.51 71.21 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.526 1.13 . . . . 10.0 113.856 -175.7 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1915 ' ' ASN . . . . . . . . . . . . . 67.9 m-80 49.89 -165.65 0.03 OUTLIER 'General case' 0 CA--C 1.554 1.119 0 C-N-CA 127.72 2.408 . . . . 10.0 112.951 -169.431 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1916 ' ' GLN . . . . . . . . . . . . . 19.4 tt0 -120.64 9.24 10.76 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 126.952 2.101 . . . . 10.0 111.305 170.553 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1917 ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -100.57 -2.9 31.72 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 125.855 1.662 . . . . 10.0 113.932 -173.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1918 ' ' GLY . . . . . . . . . . . . . . . 91.3 -3.42 79.66 Favored Glycine 0 CA--C 1.538 1.509 0 C-N-CA 124.925 1.25 . . . . 10.0 115.989 173.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1919 ' ' THR . . . . . . . . . . . . . 70.0 p -75.89 169.71 17.62 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.813 1.245 . . . . 10.0 111.997 177.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1920 ' ' CYS . . . . . 0.429 ' HB3' HG23 ' A' 1888 ' ' VAL . 0.5 OUTLIER -115.54 41.26 2.54 Favored 'General case' 0 CA--C 1.551 0.982 0 O-C-N 121.492 -0.755 . . . . 10.0 109.856 168.224 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 1921 ' ' SER . . . . . . . . . . . . . 10.6 t -33.91 115.06 0.22 Allowed 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 128.177 2.591 . . . . 10.0 114.561 -167.689 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1922 ' ' VAL . . . . . 0.57 HG21 HD11 ' A' 1900 ' ' LEU . 86.1 t -96.31 137.12 25.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 123.568 0.747 . . . . 10.0 110.931 -173.322 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1923 ' ' SER . . . . . . . . . . . . . 72.7 m -135.33 119.19 17.3 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 125.396 1.478 . . . . 10.0 111.359 178.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1924 ' ' TYR . . . . . . . . . . . . . 16.4 p90 -132.34 174.87 9.79 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.998 1.319 . . . . 10.0 110.441 179.413 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1925 ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -140.98 97.45 7.06 Favored Pre-proline 0 CA--C 1.551 0.981 0 O-C-N 120.409 -1.432 . . . . 10.0 111.218 -174.796 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1926 ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -70.45 122.09 8.6 Favored 'Trans proline' 0 C--N 1.356 0.924 0 C-N-CA 122.221 1.947 . . . . 10.0 111.355 169.181 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1927 ' ' VAL . . . . . . . . . . . . . 28.8 m -106.02 0.18 10.07 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.247 0 C-N-CA 125.553 1.541 . . . . 10.0 114.308 -175.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1928 ' ' LEU . . . . . . . . . . . . . 4.8 tt -149.6 135.01 9.76 Favored Pre-proline 0 CA--C 1.563 1.475 0 C-N-CA 125.845 1.658 . . . . 10.0 109.607 175.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1929 ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -57.8 138.43 86.03 Favored 'Trans proline' 0 CA--C 1.546 1.097 0 C-N-CA 123.255 2.637 . . . . 10.0 113.975 -177.256 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1930 ' ' GLY . . . . . . . . . . . . . . . 175.08 -178.16 46.88 Favored Glycine 0 N--CA 1.477 1.386 0 N-CA-C 117.643 1.817 . . . . 10.0 117.643 -175.685 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1931 ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -99.1 82.18 2.69 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 126.115 1.766 . . . . 10.0 109.651 178.581 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1932 ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -80.07 101.73 8.9 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.834 1.254 . . . . 10.0 111.027 -170.699 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1933 ' ' SER . . . . . . . . . . . . . 73.5 m -79.66 110.47 15.02 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 124.065 0.946 . . . . 10.0 112.213 -176.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1934 ' ' ILE . . . . . . . . . . . . . 1.2 mp -76.83 129.24 37.53 Favored 'Isoleucine or valine' 0 C--O 1.243 0.713 0 C-N-CA 124.882 1.273 . . . . 10.0 109.294 170.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1935 ' ' LEU . . . . . . . . . . . . . 3.0 mm? -106.64 100.86 10.35 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 126.887 2.075 . . . . 10.0 108.039 167.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1936 ' ' VAL . . . . . . . . . . . . . 15.6 t -87.2 129.18 39.07 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.405 0 CA-C-N 119.847 1.203 . . . . 10.0 110.159 172.579 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1937 ' ' LYS . . . . . . . . . . . . . 73.9 mttt -119.47 144.62 46.88 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.711 1.204 . . . . 10.0 111.681 169.726 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1938 ' ' TYR . . . . . . . . . . . . . 71.1 t80 -127.88 118.0 22.84 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 125.296 1.439 . . . . 10.0 108.313 169.511 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1939 ' ' ASN . . . . . . . . . . . . . 43.3 t30 44.77 71.89 0.23 Allowed 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 126.305 1.842 . . . . 10.0 114.039 -172.597 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1940 ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 68.15 -9.12 0.51 Allowed 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 128.516 2.726 . . . . 10.0 116.293 172.087 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1941 ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -127.39 159.72 33.61 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.331 1.452 . . . . 10.0 112.504 179.572 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1942 ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -72.65 155.21 40.24 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 113.853 1.057 . . . . 10.0 113.853 -173.662 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1943 ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -73.47 163.94 64.74 Favored Pre-proline 0 CA--C 1.542 0.651 0 C-N-CA 125.499 1.519 . . . . 10.0 113.205 179.221 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1944 ' ' PRO . . . . . . . . . . . . . 47.8 Cg_exo -64.62 -20.21 65.31 Favored 'Trans proline' 0 CA--C 1.55 1.281 0 C-N-CA 124.411 3.407 . . . . 10.0 115.918 -170.289 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1945 ' ' GLY . . . . . . . . . . . . . . . -114.15 -1.88 23.54 Favored Glycine 0 CA--C 1.541 1.667 0 C-N-CA 126.851 2.167 . . . . 10.0 114.641 -178.486 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1946 ' ' SER . . . . . . . . . . . . . 5.9 m -69.45 155.33 93.73 Favored Pre-proline 0 CA--C 1.545 0.774 0 CA-C-N 118.485 1.143 . . . . 10.0 112.349 178.068 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1947 ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -72.24 172.58 57.02 Favored 'Cis proline' 0 CA--C 1.548 1.178 0 CA-C-N 119.998 1.035 . . . . 10.0 112.848 -11.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1948 ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -120.63 165.64 14.76 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.726 1.61 . . . . 10.0 109.236 167.085 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1949 ' ' THR . . . . . . . . . . . . . 8.8 m -142.23 98.51 3.33 Favored 'General case' 0 N--CA 1.479 1.023 0 O-C-N 121.2 -0.938 . . . . 10.0 110.93 -175.405 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1950 ' ' ALA . . . . . . . . . . . . . . . -74.99 103.84 5.34 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.363 1.065 . . . . 10.0 111.672 174.775 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1951 ' ' ARG . . . . . . . . . . . . . 65.7 ttt-85 -79.85 91.28 5.34 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-O 123.074 1.416 . . . . 10.0 111.055 175.12 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1952 ' ' VAL . . . . . 0.42 HG12 HG23 ' A' 1880 ' ' VAL . 2.4 t -68.1 115.54 6.5 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 128.18 2.592 . . . . 10.0 112.575 174.182 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1953 ' ' THR . . . . . . . . . . . . . 5.7 t -93.46 151.28 19.83 Favored 'General case' 0 C--O 1.243 0.753 0 C-N-CA 124.351 1.06 . . . . 10.0 111.53 171.233 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1954 ' ' GLY . . . . . . . . . . . . . . . -105.62 167.95 15.01 Favored Glycine 0 CA--C 1.535 1.297 0 CA-C-O 122.399 1.0 . . . . 10.0 114.48 -176.636 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1955 ' ' ASP . . . . . . . . . . . . . 37.4 t70 -129.36 -12.79 4.46 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 126.278 1.831 . . . . 10.0 113.977 -173.219 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1956 ' ' ASP . . . . . . . . . . . . . 33.8 t70 . . . . . 0 C--O 1.252 1.184 0 C-N-CA 126.614 1.966 . . . . 10.0 113.067 -178.187 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.462 0 N-CA-C 111.916 -0.474 . . . . 10.0 111.916 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' -3' ' ' ALA . . . . . . . . . . . . . . . -130.19 -32.09 1.83 Allowed 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 115.248 1.573 . . . . 10.0 115.248 -176.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 9.0 tpt -149.9 112.93 4.86 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 124.884 1.274 . . . . 10.0 112.304 -176.219 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -1' ' ' VAL . . . . . . . . . . . . . 29.0 m -71.46 -25.34 24.74 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.233 0 N-CA-C 115.052 1.501 . . . . 10.0 115.052 -173.024 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1863 ' ' VAL . . . . . . . . . . . . . 47.3 t -70.06 -41.3 79.15 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 C-N-CA 123.971 0.908 . . . . 10.0 111.381 -175.503 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1864 ' ' ASN . . . . . . . . . . . . . 4.7 t-20 63.94 -27.08 0.08 Allowed 'General case' 0 CA--C 1.563 1.451 0 C-N-CA 129.507 3.123 . . . . 10.0 117.234 172.276 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1865 ' ' CYS . . . . . . . . . . . . . 29.3 p -103.87 -6.98 20.83 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 126.123 1.769 . . . . 10.0 115.456 -172.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1866 ' ' GLY . . . . . . . . . . . . . . . -88.9 4.62 84.89 Favored Glycine 0 N--CA 1.484 1.871 0 C-N-CA 125.56 1.553 . . . . 10.0 114.683 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1867 ' ' HIS . . . . . . . . . . . . . 46.0 t60 -61.04 -48.92 79.53 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 125.784 1.634 . . . . 10.0 113.904 -170.186 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1868 ' ' VAL . . . . . . . . . . . . . 9.2 p -132.3 125.45 54.01 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 125.278 1.431 . . . . 10.0 109.383 173.54 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1869 ' ' THR . . . . . . . . . . . . . 73.1 p -139.9 -173.76 3.73 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 125.721 1.608 . . . . 10.0 109.557 -172.009 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1870 ' ' ALA . . . . . . . . . . . . . . . -133.22 127.35 33.55 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 125.367 1.467 . . . . 10.0 110.916 169.309 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1871 ' ' TYR . . . . . . . . . . . . . 47.4 p90 -147.63 160.48 42.62 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.483 1.113 . . . . 10.0 111.64 179.407 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1872 ' ' GLY . . . . . . . . . . . . . . . 131.18 169.65 12.47 Favored Glycine 0 CA--C 1.545 1.928 0 C-N-CA 125.718 1.628 . . . . 10.0 113.1 176.572 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1873 ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -74.42 -19.58 19.23 Favored 'Trans proline' 0 CA--C 1.546 1.101 0 C-N-CA 123.396 2.731 . . . . 10.0 113.804 -170.44 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1874 ' ' GLY . . . . . . . . . . . . . . . -73.68 -12.49 80.62 Favored Glycine 0 CA--C 1.531 1.032 0 CA-C-O 118.341 -1.255 . . . . 10.0 114.441 173.602 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1875 ' ' LEU . . . . . . . . . . . . . 44.7 mt -86.26 -9.4 56.55 Favored 'General case' 0 C--N 1.352 0.688 0 CA-C-N 119.298 1.549 . . . . 10.0 113.063 171.743 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1876 ' ' THR . . . . . . . . . . . . . 70.2 p -118.63 -29.68 5.34 Favored 'General case' 0 N--CA 1.494 1.762 0 C-N-CA 126.1 1.76 . . . . 10.0 113.439 -172.378 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1877 ' ' HIS . . . . . . . . . . . . . 3.2 p-80 -145.42 -178.49 6.1 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 119.24 0.927 . . . . 10.0 112.23 173.731 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1878 ' ' GLY . . . . . . . . . . . . . . . -151.52 163.49 29.95 Favored Glycine 0 N--CA 1.468 0.811 0 C-N-CA 125.135 1.35 . . . . 10.0 113.398 178.298 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1879 ' ' VAL . . . . . . . . . . . . . 11.5 t -132.44 109.79 15.29 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.421 0 C-N-CA 124.851 1.26 . . . . 10.0 110.652 178.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1880 ' ' VAL . . . . . . . . . . . . . 57.9 t -59.74 124.06 13.33 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 C-N-CA 124.671 1.188 . . . . 10.0 110.691 -177.598 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1881 ' ' ASN . . . . . . . . . . . . . 76.0 m-20 67.32 17.09 10.19 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 128.207 2.603 . . . . 10.0 116.271 -172.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1882 ' ' LYS . . . . . 0.428 ' HA ' ' HD3' ' A' 1883 ' ' PRO . 14.1 tppt? -137.68 144.8 46.08 Favored Pre-proline 0 N--CA 1.483 1.221 0 O-C-N 120.627 -1.296 . . . . 10.0 112.074 172.407 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1883 ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' 1882 ' ' LYS . 92.9 Cg_exo -55.66 141.01 84.6 Favored 'Trans proline' 0 C--O 1.239 0.558 0 C-N-CA 123.964 3.109 . . . . 10.0 114.323 -175.118 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1884 ' ' ALA . . . . . . . . . . . . . . . -123.18 149.26 44.85 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 126.956 2.102 . . . . 10.0 109.087 168.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1885 ' ' THR . . . . . . . . . . . . . 5.8 t -161.95 156.12 21.96 Favored 'General case' 0 N--CA 1.482 1.142 0 N-CA-C 115.243 1.571 . . . . 10.0 115.243 -168.255 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1886 ' ' PHE . . . . . . . . . . . . . 47.0 p90 -152.9 177.24 10.97 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 124.52 1.128 . . . . 10.0 113.314 -177.242 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1887 ' ' THR . . . . . . . . . . . . . 88.8 m -127.55 141.05 51.75 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.41 1.484 . . . . 10.0 110.233 -171.355 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1888 ' ' VAL . . . . . . . . . . . . . 1.2 m -137.56 63.09 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 C-N-CA 127.775 2.43 . . . . 10.0 108.542 -175.222 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1889 ' ' ASN . . . . . . . . . . . . . 63.9 t-20 -62.04 101.62 0.23 Allowed 'General case' 0 C--N 1.317 -0.832 0 C-N-CA 128.454 2.702 . . . . 10.0 111.796 -175.489 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1890 ' ' THR . . . . . . . . . . . . . 17.0 p -66.52 -27.22 67.59 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 126.118 1.767 . . . . 10.0 114.844 179.156 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1891 ' ' LYS . . . . . . . . . . . . . 54.6 mttp 58.17 -68.22 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 127.864 2.466 . . . . 10.0 113.438 -170.396 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 29.7 t70 -140.94 8.11 2.08 Favored 'General case' 0 CA--C 1.561 1.373 0 C-N-CA 126.97 2.108 . . . . 10.0 112.782 171.206 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1893 ' ' ALA . . . . . . . . . . . . . . . -67.81 71.9 0.15 Allowed 'General case' 0 CA--C 1.555 1.139 0 C-N-CA 129.006 2.923 . . . . 10.0 113.707 178.1 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -104.28 -11.69 30.96 Favored Glycine 0 CA--C 1.543 1.814 0 C-N-CA 125.546 1.546 . . . . 10.0 116.053 176.232 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1895 ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -83.31 -20.88 33.58 Favored 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 115.329 1.604 . . . . 10.0 115.329 -170.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1896 ' ' GLY . . . . . . . . . . . . . . . -100.72 -86.82 1.94 Allowed Glycine 0 CA--C 1.528 0.864 0 C-N-CA 127.257 2.36 . . . . 10.0 113.133 -178.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1897 ' ' GLY . . . . . . . . . . . . . . . 142.36 108.65 0.69 Allowed Glycine 0 CA--C 1.526 0.742 0 N-CA-C 111.392 -0.683 . . . . 10.0 111.392 -178.398 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1898 ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -72.39 119.92 17.27 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.341 1.456 . . . . 10.0 109.316 170.448 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1899 ' ' SER . . . . . . . . . . . . . 59.6 m -130.49 145.61 51.88 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 127.751 2.42 . . . . 10.0 110.542 176.771 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1900 ' ' LEU . . . . . . . . . . . . . 4.6 pp -152.56 169.91 21.47 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 115.104 1.52 . . . . 10.0 115.104 177.18 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1901 ' ' ALA . . . . . . . . . . . . . . . -153.79 170.43 20.98 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 126.375 1.87 . . . . 10.0 112.462 168.129 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1902 ' ' ILE . . . . . . . . . . . . . 2.7 mp -121.26 139.4 48.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 125.394 1.478 . . . . 10.0 108.875 172.383 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1903 ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -117.46 167.34 11.36 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 127.104 2.162 . . . . 10.0 110.827 170.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1904 ' ' GLY . . . . . . . . . . . . . . . 166.5 -170.21 40.95 Favored Glycine 0 CA--C 1.541 1.713 0 O-C-N 120.938 -1.102 . . . . 10.0 112.172 -178.076 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1905 ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -69.54 -16.8 38.69 Favored 'Trans proline' 0 CA--C 1.543 0.946 0 C-N-CA 123.554 2.836 . . . . 10.0 113.653 168.483 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1906 ' ' SER . . . . . . . . . . . . . 23.0 t -146.63 174.49 11.38 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 127.574 2.35 . . . . 10.0 110.357 -168.064 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1907 ' ' LYS . . . . . . . . . . . . . 58.3 mtmt -126.94 107.38 10.03 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.423 1.489 . . . . 10.0 111.721 -170.376 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1908 ' ' ALA . . . . . . . . . . . . . . . -69.8 160.82 31.02 Favored 'General case' 0 CA--C 1.557 1.239 0 C-N-CA 126.922 2.089 . . . . 10.0 113.741 -178.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1909 ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -86.23 96.84 10.07 Favored 'General case' 0 C--O 1.238 0.468 0 O-C-N 121.066 -1.021 . . . . 10.0 110.535 171.208 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1910 ' ' ILE . . . . . . . . . . . . . 58.2 mt -87.26 139.47 17.28 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 126.086 1.754 . . . . 10.0 111.035 -175.193 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1911 ' ' SER . . . . . . . . . . . . . 8.1 t -150.62 172.64 15.21 Favored 'General case' 0 CA--C 1.557 1.231 0 C-N-CA 125.784 1.633 . . . . 10.0 111.182 172.703 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1912 ' ' CYS . . . . . . . . . . . . . 30.4 p -137.78 161.45 36.54 Favored 'General case' 0 N--CA 1.479 1.007 0 O-C-N 119.797 -1.814 . . . . 10.0 112.815 -176.211 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1913 ' ' THR . . . . . . . . . . . . . 26.8 m -102.76 114.53 28.86 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.23 1.412 . . . . 10.0 111.174 -170.543 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1914 ' ' ASP . . . . . . . . . . . . . 36.5 m-20 -65.77 115.46 5.93 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 124.619 1.167 . . . . 10.0 111.84 170.399 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1915 ' ' ASN . . . . . . . . . . . . . 49.4 t-20 -147.23 142.55 27.36 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.692 1.197 . . . . 10.0 111.131 175.415 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1916 ' ' GLN . . . . . . . . . . . . . 29.9 tp60 -68.25 -12.77 61.55 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 124.939 1.296 . . . . 10.0 113.364 176.347 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1917 ' ' ASP . . . . . . . . . . . . . 20.5 t70 -72.9 -14.79 61.55 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 125.202 1.401 . . . . 10.0 113.682 178.447 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1918 ' ' GLY . . . . . . . . . . . . . . . 82.59 12.18 80.62 Favored Glycine 0 CA--C 1.534 1.232 0 C-N-CA 125.47 1.509 . . . . 10.0 115.447 171.395 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1919 ' ' THR . . . . . . . . . . . . . 61.1 p -64.39 168.69 5.44 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 125.263 1.425 . . . . 10.0 112.087 171.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1920 ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -115.81 36.2 4.11 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.761 0.824 . . . . 10.0 111.52 173.497 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1921 ' ' SER . . . . . . . . . . . . . 72.3 m -55.35 123.55 14.2 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 124.797 1.239 . . . . 10.0 111.489 -172.253 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1922 ' ' VAL . . . . . . . . . . . . . 3.4 t -125.51 135.04 65.21 Favored 'Isoleucine or valine' 0 C--O 1.24 0.605 0 C-N-CA 124.711 1.204 . . . . 10.0 112.33 -168.493 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1923 ' ' SER . . . . . . . . . . . . . 65.1 p -110.3 155.74 21.67 Favored 'General case' 0 C--O 1.242 0.671 0 C-N-CA 125.08 1.352 . . . . 10.0 111.258 169.77 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1924 ' ' TYR . . . . . . . . . . . . . 18.9 p90 -145.84 166.6 25.46 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 125.809 1.644 . . . . 10.0 110.509 173.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1925 ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -145.18 93.99 5.36 Favored Pre-proline 0 CA--C 1.544 0.716 0 O-C-N 120.695 -1.253 . . . . 10.0 109.166 -171.28 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1926 ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -70.18 121.24 7.85 Favored 'Trans proline' 0 C--N 1.354 0.84 0 C-N-CA 123.064 2.51 . . . . 10.0 110.982 -179.105 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1927 ' ' VAL . . . . . . . . . . . . . 26.9 m -78.32 -18.39 13.59 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 N-CA-C 113.946 1.091 . . . . 10.0 113.946 176.058 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1928 ' ' LEU . . . . . . . . . . . . . 22.6 mt -141.52 156.39 66.74 Favored Pre-proline 0 CA--C 1.551 1.0 0 C-N-CA 126.023 1.729 . . . . 10.0 111.704 179.232 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1929 ' ' PRO . . . . . . . . . . . . . 8.9 Cg_exo -62.03 159.87 32.38 Favored 'Trans proline' 0 C--N 1.357 0.974 0 C-N-CA 123.643 2.895 . . . . 10.0 113.334 174.205 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1930 ' ' GLY . . . . . . . . . . . . . . . 161.07 179.0 35.53 Favored Glycine 0 CA--C 1.534 1.26 0 N-CA-C 115.137 0.815 . . . . 10.0 115.137 174.229 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1931 ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -99.09 77.21 2.15 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 126.981 2.113 . . . . 10.0 109.679 173.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1932 ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -73.36 158.02 35.84 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.365 0.666 . . . . 10.0 110.607 -176.735 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1933 ' ' SER . . . . . . . . . . . . . 44.2 t -128.05 141.98 51.35 Favored 'General case' 0 N--CA 1.477 0.89 0 O-C-N 120.462 -1.399 . . . . 10.0 111.167 177.629 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1934 ' ' ILE . . . . . . . . . . . . . 2.2 mm -113.07 104.37 16.92 Favored 'Isoleucine or valine' 0 C--N 1.345 0.395 0 C-N-CA 125.238 1.415 . . . . 10.0 109.126 -176.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1935 ' ' LEU . . . . . . . . . . . . . 2.9 mm? -92.23 98.11 11.31 Favored 'General case' 0 C--N 1.317 -0.822 0 C-N-CA 126.131 1.772 . . . . 10.0 108.109 -176.537 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1936 ' ' VAL . . . . . . . . . . . . . 21.2 t -108.9 132.63 56.4 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.284 0 CA-C-N 118.653 0.661 . . . . 10.0 110.72 178.594 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1937 ' ' LYS . . . . . . . . . . . . . 82.9 mttt -124.78 154.67 40.58 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 128.421 2.688 . . . . 10.0 112.341 179.507 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1938 ' ' TYR . . . . . . . . . . . . . 35.2 t80 -145.44 120.57 10.13 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.241 1.417 . . . . 10.0 109.914 168.185 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1939 ' ' ASN . . . . . . . . . . . . . 1.3 t30 52.2 73.07 0.35 Allowed 'General case' 0 CA--C 1.554 1.125 0 C-N-CA 125.703 1.601 . . . . 10.0 112.359 -173.164 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1940 ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 69.86 -16.72 0.27 Allowed 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 129.816 3.246 . . . . 10.0 117.178 173.345 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1941 ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -132.77 160.62 36.31 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 125.206 1.403 . . . . 10.0 111.933 -172.285 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1942 ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -65.41 146.33 55.02 Favored 'General case' 0 C--O 1.242 0.661 0 N-CA-C 114.426 1.269 . . . . 10.0 114.426 -173.544 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1943 ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -67.79 166.41 23.23 Favored Pre-proline 0 N--CA 1.474 0.752 0 C-N-CA 128.609 2.763 . . . . 10.0 112.923 -177.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1944 ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -57.91 108.67 0.4 Allowed 'Trans proline' 0 CA--C 1.549 1.225 0 C-N-CA 124.472 3.448 . . . . 10.0 111.563 177.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1945 ' ' GLY . . . . . . . . . . . . . . . 92.27 -5.54 78.05 Favored Glycine 0 CA--C 1.546 2.023 0 C-N-CA 126.304 1.907 . . . . 10.0 116.4 -179.586 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1946 ' ' SER . . . . . . . . . . . . . 2.0 m -67.87 161.83 63.69 Favored Pre-proline 0 CA--C 1.543 0.677 0 CA-C-N 119.325 1.563 . . . . 10.0 112.571 176.733 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1947 ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -73.6 170.48 70.13 Favored 'Cis proline' 0 C--N 1.357 0.979 0 C-N-CA 125.506 -0.623 . . . . 10.0 113.1 -10.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1948 ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -111.27 164.56 12.77 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.058 0.943 . . . . 10.0 111.424 175.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1949 ' ' THR . . . . . . . . . . . . . 86.6 m -141.29 126.65 18.69 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 125.304 1.442 . . . . 10.0 109.922 -179.331 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1950 ' ' ALA . . . . . . . . . . . . . . . -125.65 114.03 18.15 Favored 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 125.902 1.681 . . . . 10.0 111.5 -171.299 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1951 ' ' ARG . . . . . . . . . . . . . 18.9 ttp-105 -80.31 94.65 6.15 Favored 'General case' 0 N--CA 1.482 1.148 0 CA-C-O 122.953 1.359 . . . . 10.0 112.055 176.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1952 ' ' VAL . . . . . . . . . . . . . 2.8 t -59.0 109.77 0.41 Allowed 'Isoleucine or valine' 0 C--O 1.242 0.706 0 C-N-CA 125.684 1.594 . . . . 10.0 110.793 166.616 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1953 ' ' THR . . . . . . . . . . . . . 33.9 p -58.15 -68.92 0.2 Allowed 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 126.068 1.747 . . . . 10.0 114.555 -168.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1954 ' ' GLY . . . . . . . . . . . . . . . 90.03 148.84 20.67 Favored Glycine 0 CA--C 1.529 0.925 0 C-N-CA 127.505 2.479 . . . . 10.0 114.956 -179.214 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1955 ' ' ASP . . . . . . . . . . . . . 27.1 t70 -82.11 -20.0 38.97 Favored 'General case' 0 CA--C 1.552 1.028 0 C-N-CA 124.36 1.064 . . . . 10.0 112.331 179.675 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1956 ' ' ASP . . . . . . . . . . . . . 35.2 t70 . . . . . 0 C--O 1.259 1.564 0 C-N-CA 124.999 1.32 . . . . 10.0 112.628 -176.999 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.514 0 N-CA-C 111.013 -0.835 . . . . 10.0 111.013 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' -3' ' ' ALA . . . . . . . . . . . . . . . -67.68 -177.68 0.81 Allowed 'General case' 0 CA--C 1.554 1.106 0 C-N-CA 125.387 1.475 . . . . 10.0 113.572 174.267 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 10.2 tpt -63.09 -21.5 66.22 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 124.778 1.231 . . . . 10.0 113.522 176.557 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -1' ' ' VAL . . . . . . . . . . . . . 30.9 m -135.4 178.51 5.19 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 C-N-CA 128.019 2.528 . . . . 10.0 111.65 175.057 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1863 ' ' VAL . . . . . . . . . . . . . 27.6 m -62.77 168.19 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 125.957 1.703 . . . . 10.0 113.15 174.711 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1864 ' ' ASN . . . . . . . . . . . . . 40.0 t30 -61.82 112.44 2.29 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 124.722 1.209 . . . . 10.0 113.664 178.692 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1865 ' ' CYS . . . . . . . . . . . . . 94.1 m -116.19 8.94 14.5 Favored 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 126.202 1.801 . . . . 10.0 113.886 -175.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1866 ' ' GLY . . . . . . . . . . . . . . . -65.23 166.34 33.68 Favored Glycine 0 N--CA 1.473 1.119 0 C-N-CA 125.7 1.619 . . . . 10.0 116.395 -174.696 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1867 ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -74.88 169.07 18.68 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.366 1.466 . . . . 10.0 113.156 178.352 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1868 ' ' VAL . . . . . . . . . . . . . 9.1 p -67.65 109.78 1.65 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 124.866 1.267 . . . . 10.0 112.95 178.029 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1869 ' ' THR . . . . . . . . . . . . . 5.7 m -161.49 138.76 8.78 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 128.582 2.753 . . . . 10.0 108.62 171.525 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1870 ' ' ALA . . . . . . . . . . . . . . . -74.41 146.76 42.65 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 113.095 0.776 . . . . 10.0 113.095 -178.162 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1871 ' ' TYR . . . . . . . . . . . . . 26.8 p90 -153.53 147.64 25.66 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.69 1.596 . . . . 10.0 112.128 172.595 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1872 ' ' GLY . . . . . . . . . . . . . . . 156.21 172.47 23.66 Favored Glycine 0 CA--C 1.534 1.276 0 C-N-CA 124.261 0.934 . . . . 10.0 114.149 -176.751 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1873 ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -70.36 -35.69 10.48 Favored 'Trans proline' 0 N--CA 1.471 0.192 0 C-N-CA 122.597 2.198 . . . . 10.0 112.988 -171.201 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1874 ' ' GLY . . . . . . . . . . . . . . . -68.24 -22.8 74.7 Favored Glycine 0 C--N 1.356 1.683 0 O-C-N 120.775 -1.203 . . . . 10.0 115.046 -174.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1875 ' ' LEU . . . . . . . . . . . . . 50.1 mt -71.35 -15.33 62.38 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 114.121 1.156 . . . . 10.0 114.121 -174.1 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1876 ' ' THR . . . . . . . . . . . . . 42.1 p -114.14 -45.23 3.07 Favored 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 124.797 1.239 . . . . 10.0 111.295 177.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1877 ' ' HIS . . . . . . . . . . . . . 47.9 m80 -134.14 113.94 12.59 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 124.422 1.089 . . . . 10.0 110.53 -178.508 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1878 ' ' GLY . . . . . . . . . . . . . . . -83.01 -178.27 52.29 Favored Glycine 0 CA--C 1.552 2.365 0 C-N-CA 125.254 1.407 . . . . 10.0 112.749 173.321 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1879 ' ' VAL . . . . . . . . . . . . . 21.7 t -145.39 103.25 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 N-CA-C 106.306 -1.738 . . . . 10.0 106.306 177.278 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1880 ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -65.74 142.04 17.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 C-N-CA 119.568 -0.853 . . . . 10.0 111.372 -169.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1881 ' ' ASN . . . . . . . . . . . . . 35.2 m120 62.45 10.39 3.95 Favored 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 126.017 1.727 . . . . 10.0 115.578 -173.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1882 ' ' LYS . . . . . 0.403 ' HA ' ' HD3' ' A' 1883 ' ' PRO . 0.4 OUTLIER -128.12 141.54 41.61 Favored Pre-proline 0 N--CA 1.494 1.758 0 CA-C-N 120.533 1.515 . . . . 10.0 111.322 169.886 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A 1883 ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' 1882 ' ' LYS . 81.4 Cg_exo -51.74 121.77 9.22 Favored 'Trans proline' 0 CA--C 1.535 0.553 0 C-N-CA 123.74 2.96 . . . . 10.0 114.196 -175.286 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1884 ' ' ALA . . . . . . . . . . . . . . . -93.94 155.32 17.22 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 125.744 1.617 . . . . 10.0 111.003 169.519 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1885 ' ' THR . . . . . . . . . . . . . 37.4 p -149.89 150.57 32.12 Favored 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 114.239 1.199 . . . . 10.0 114.239 -169.05 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1886 ' ' PHE . . . . . . . . . . . . . 37.3 p90 -151.76 174.86 13.02 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 126.156 1.783 . . . . 10.0 111.421 168.047 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1887 ' ' THR . . . . . . . . . . . . . 94.6 m -126.69 145.01 50.75 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 126.81 2.044 . . . . 10.0 111.438 175.707 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1888 ' ' VAL . . . . . 0.899 HG12 ' HB3' ' A' 1920 ' ' CYS 0.398 2.5 p -136.72 94.17 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 CA-C-O 122.758 1.266 . . . . 10.0 112.411 177.592 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A 1889 ' ' ASN . . . . . . . . . . . . . 2.2 t30 -68.97 102.45 1.6 Allowed 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 128.133 2.573 . . . . 10.0 110.531 -177.584 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1890 ' ' THR . . . . . . . . . . . . . 26.4 p -77.08 8.51 3.82 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 115.881 1.808 . . . . 10.0 115.881 179.752 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1891 ' ' LYS . . . . . . . . . . . . . 89.8 mttt -60.95 150.38 33.52 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-N 120.471 1.487 . . . . 10.0 112.027 179.319 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 18.2 t70 60.84 -8.59 0.07 Allowed 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 129.446 3.098 . . . . 10.0 116.139 179.512 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1893 ' ' ALA . . . . . . . . . . . . . . . -65.66 -24.16 66.96 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 127.279 2.232 . . . . 10.0 115.405 179.001 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . 88.15 -118.76 5.15 Favored Glycine 0 CA--C 1.537 1.457 0 C-N-CA 125.525 1.536 . . . . 10.0 111.592 -171.313 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1895 ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -148.16 112.04 5.12 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.982 1.713 . . . . 10.0 110.661 177.657 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1896 ' ' GLY . . . . . . . . . . . . . . . -139.85 -13.41 0.62 Allowed Glycine 0 CA--C 1.544 1.852 0 N-CA-C 117.15 1.62 . . . . 10.0 117.15 -176.747 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1897 ' ' GLY . . . . . . . . . . . . . . . 79.6 92.52 0.38 Allowed Glycine 0 N--CA 1.479 1.56 0 CA-C-N 119.353 1.577 . . . . 10.0 111.265 -177.451 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1898 ' ' LEU . . . . . . . . . . . . . 5.6 tt -75.69 135.11 40.4 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 124.485 1.114 . . . . 10.0 110.39 177.185 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1899 ' ' SER . . . . . . . . . . . . . 39.2 m -135.5 153.19 51.81 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 126.52 1.928 . . . . 10.0 112.103 -179.702 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1900 ' ' LEU . . . . . 0.724 HD11 HG21 ' A' 1922 ' ' VAL . 67.2 mt -124.78 161.23 26.89 Favored 'General case' 0 C--O 1.239 0.51 0 N-CA-C 114.236 1.198 . . . . 10.0 114.236 175.153 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1901 ' ' ALA . . . . . . . . . . . . . . . -151.37 162.14 41.45 Favored 'General case' 0 CA--C 1.557 1.219 0 C-N-CA 126.469 1.907 . . . . 10.0 108.94 164.25 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1902 ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -131.1 140.76 47.79 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.096 0 C-N-CA 124.61 1.164 . . . . 10.0 109.714 174.868 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1903 ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -122.68 168.13 12.58 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 126.81 2.044 . . . . 10.0 110.359 170.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1904 ' ' GLY . . . . . . . . . . . . . . . 155.13 -161.46 30.41 Favored Glycine 0 CA--C 1.541 1.714 0 C-N-CA 125.329 1.443 . . . . 10.0 112.606 -173.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1905 ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -71.38 -20.69 27.33 Favored 'Trans proline' 0 CA--C 1.545 1.03 0 CA-C-N 119.646 1.723 . . . . 10.0 112.126 170.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1906 ' ' SER . . . . . . . . . . . . . 8.5 t -155.98 -176.54 6.01 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 129.926 3.29 . . . . 10.0 108.013 -168.149 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1907 ' ' LYS . . . . . . . . . . . . . 56.1 mttm -134.11 173.46 11.57 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 125.56 1.544 . . . . 10.0 112.636 -173.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1908 ' ' ALA . . . . . . . . . . . . . . . -133.33 153.91 51.17 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 126.32 1.848 . . . . 10.0 112.547 -173.408 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1909 ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -75.9 89.03 2.91 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.492 0.717 . . . . 10.0 111.571 176.244 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1910 ' ' ILE . . . . . . . . . . . . . 32.8 mt -64.46 113.14 1.65 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 123.714 0.806 . . . . 10.0 111.315 177.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1911 ' ' SER . . . . . . . . . . . . . 71.0 m -130.95 92.48 3.23 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.887 1.675 . . . . 10.0 112.128 173.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1912 ' ' CYS . . . . . . . . . . . . . 34.6 m -63.83 159.29 19.87 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 124.88 1.272 . . . . 10.0 111.103 168.158 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1913 ' ' THR . . . . . 0.502 ' HB ' ' HB3' ' A' 1921 ' ' SER . 22.3 m -132.55 93.16 3.18 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 121.522 -0.736 . . . . 10.0 109.486 167.8 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1914 ' ' ASP . . . . . . . . . . . . . 28.0 t70 -54.36 126.28 22.67 Favored 'General case' 0 CA--C 1.554 1.096 0 C-N-CA 126.467 1.907 . . . . 10.0 112.289 -178.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1915 ' ' ASN . . . . . . . . . . . . . 63.3 t-20 -136.28 130.98 33.83 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 125.914 1.686 . . . . 10.0 109.535 177.596 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1916 ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -60.94 -9.5 4.33 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 114.364 1.246 . . . . 10.0 114.364 174.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1917 ' ' ASP . . . . . . . . . . . . . 24.9 t70 -70.17 -10.68 59.58 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 124.797 1.239 . . . . 10.0 112.261 169.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1918 ' ' GLY . . . . . . . . . . . . . . . 88.9 38.1 7.03 Favored Glycine 0 CA--C 1.536 1.386 0 C-N-CA 126.037 1.78 . . . . 10.0 114.559 176.225 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1919 ' ' THR . . . . . . . . . . . . . 75.2 p -126.68 144.99 50.75 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 125.235 1.414 . . . . 10.0 113.146 -175.041 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1920 ' ' CYS . . . . . 0.899 ' HB3' HG12 ' A' 1888 ' ' VAL . 9.7 p -79.15 -24.18 43.48 Favored 'General case' 0 N--CA 1.483 1.177 0 N-CA-C 115.724 1.75 . . . . 10.0 115.724 -175.023 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1921 ' ' SER . . . . . 0.502 ' HB3' ' HB ' ' A' 1913 ' ' THR . 22.9 t 22.63 58.0 0.03 OUTLIER 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 130.586 3.555 . . . . 10.0 112.416 -164.661 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1922 ' ' VAL . . . . . 0.724 HG21 HD11 ' A' 1900 ' ' LEU . 75.6 t -78.06 103.83 5.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 125.819 1.648 . . . . 10.0 109.932 -175.811 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1923 ' ' SER . . . . . . . . . . . . . 74.4 m -96.21 111.52 23.55 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.472 1.109 . . . . 10.0 109.294 168.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1924 ' ' TYR . . . . . . . . . . . . . 13.8 p90 -120.33 163.35 17.96 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.648 1.179 . . . . 10.0 110.243 178.465 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1925 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -142.74 93.14 6.89 Favored Pre-proline 0 CA--C 1.554 1.118 0 O-C-N 121.017 -1.052 . . . . 10.0 112.683 -171.864 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1926 ' ' PRO . . . . . . . . . . . . . 86.8 Cg_endo -72.41 152.63 55.06 Favored 'Trans proline' 0 CA--C 1.536 0.6 0 C-N-CA 123.866 3.044 . . . . 10.0 111.606 176.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1927 ' ' VAL . . . . . . . . . . . . . 35.1 m -122.35 -15.55 6.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 N-CA-C 115.797 1.776 . . . . 10.0 115.797 -168.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1928 ' ' LEU . . . . . . . . . . . . . 6.0 tt -140.03 122.88 10.19 Favored Pre-proline 0 CA--C 1.549 0.906 0 C-N-CA 124.715 1.206 . . . . 10.0 112.263 179.416 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1929 ' ' PRO . . . . . . . . . . . . . 88.0 Cg_exo -46.59 127.91 12.21 Favored 'Trans proline' 0 CA--C 1.537 0.654 0 C-N-CA 125.101 3.867 . . . . 10.0 114.218 -176.159 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1930 ' ' GLY . . . . . . . . . . . . . . . 179.05 178.66 48.4 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 115.174 0.829 . . . . 10.0 115.174 -170.04 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1931 ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -95.19 106.02 18.0 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.138 1.375 . . . . 10.0 110.222 172.157 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1932 ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -101.08 105.92 17.14 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.884 1.274 . . . . 10.0 109.441 -175.552 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1933 ' ' SER . . . . . . . . . . . . . 67.5 m -79.23 117.98 20.74 Favored 'General case' 0 N--CA 1.478 0.927 0 O-C-N 121.542 -0.724 . . . . 10.0 110.875 174.526 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1934 ' ' ILE . . . . . . . . . . . . . 7.0 mm -80.52 123.8 37.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 N-CA-C 107.445 -1.317 . . . . 10.0 107.445 170.142 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1935 ' ' LEU . . . . . . . . . . . . . 3.0 mm? -97.58 91.18 5.31 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 126.063 1.745 . . . . 10.0 108.389 170.596 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1936 ' ' VAL . . . . . . . . . . . . . 37.3 t -86.61 130.85 36.08 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 N-CA-C 108.767 -0.827 . . . . 10.0 108.767 174.247 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1937 ' ' LYS . . . . . . . . . . . . . 98.4 mttt -127.92 139.47 52.58 Favored 'General case' 0 C--O 1.232 0.162 0 C-N-CA 125.261 1.424 . . . . 10.0 111.742 -176.726 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1938 ' ' TYR . . . . . . . . . . . . . 25.0 t80 -126.73 115.36 19.29 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 125.358 1.463 . . . . 10.0 109.347 171.037 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1939 ' ' ASN . . . . . . . . . . . . . 8.6 t-20 52.64 57.51 6.32 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 126.038 1.735 . . . . 10.0 112.722 -170.208 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1940 ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 63.02 -8.18 0.13 Allowed 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 128.629 2.772 . . . . 10.0 117.374 178.246 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1941 ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -101.16 144.43 30.06 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.455 1.502 . . . . 10.0 110.267 176.298 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1942 ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -68.1 148.58 50.76 Favored 'General case' 0 CA--C 1.542 0.655 0 O-C-N 121.354 -0.841 . . . . 10.0 112.306 -177.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1943 ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -68.45 166.98 20.85 Favored Pre-proline 0 CA--C 1.546 0.822 0 C-N-CA 126.488 1.915 . . . . 10.0 113.195 -177.242 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1944 ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -64.5 -8.14 16.31 Favored 'Trans proline' 0 C--N 1.354 0.855 1 C-N-CA 126.341 4.694 . . . . 10.0 117.616 -173.123 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1945 ' ' GLY . . . . . . . . . . . . . . . -127.13 -4.22 6.03 Favored Glycine 0 CA--C 1.534 1.267 0 C-N-CA 127.688 2.565 . . . . 10.0 115.191 178.679 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1946 ' ' SER . . . . . . . . . . . . . 5.4 m -71.07 148.76 94.45 Favored Pre-proline 0 N--CA 1.481 1.107 0 CA-C-N 119.565 1.683 . . . . 10.0 113.188 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1947 ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -74.85 161.46 94.74 Favored 'Cis proline' 0 C--N 1.363 1.301 0 CA-C-N 119.567 0.881 . . . . 10.0 111.363 -4.296 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1948 ' ' PHE . . . . . . . . . . . . . 81.0 m-85 -109.9 96.36 6.19 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 124.508 1.123 . . . . 10.0 109.162 173.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1949 ' ' THR . . . . . . . . . . . . . 17.6 m -79.22 86.77 4.97 Favored 'General case' 0 C--O 1.241 0.643 0 C-N-CA 125.765 1.626 . . . . 10.0 110.527 -175.668 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1950 ' ' ALA . . . . . . . . . . . . . . . -75.3 152.06 38.25 Favored 'General case' 0 N--CA 1.446 -0.643 0 C-N-CA 123.866 0.867 . . . . 10.0 111.005 173.726 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1951 ' ' ARG . . . . . . . . . . . . . 53.6 ttt85 -122.79 96.52 5.05 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-O 121.963 0.887 . . . . 10.0 111.5 173.517 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1952 ' ' VAL . . . . . . . . . . . . . 6.2 t -67.11 106.66 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.314 -0.952 0 C-N-CA 131.08 3.752 . . . . 10.0 111.714 176.101 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1953 ' ' THR . . . . . . . . . . . . . 68.1 p -80.01 153.89 28.55 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 124.498 1.119 . . . . 10.0 111.845 -178.582 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1954 ' ' GLY . . . . . . . . . . . . . . . -82.8 46.9 3.69 Favored Glycine 0 N--CA 1.468 0.784 0 C-N-CA 126.704 2.097 . . . . 10.0 113.156 -178.44 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1955 ' ' ASP . . . . . . . . . . . . . 27.0 t70 -63.62 -32.6 74.12 Favored 'General case' 0 N--CA 1.48 1.07 0 O-C-N 121.277 -1.131 . . . . 10.0 113.94 -175.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1956 ' ' ASP . . . . . . . . . . . . . 33.6 t70 . . . . . 0 C--O 1.253 1.283 0 C-N-CA 126.131 1.773 . . . . 10.0 113.141 -179.269 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.379 0 N-CA-C 111.981 -0.447 . . . . 10.0 111.981 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' -3' ' ' ALA . . . . . . . . . . . . . . . -69.09 169.81 11.18 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 124.476 1.11 . . . . 10.0 113.85 175.78 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 11.9 tpt -147.51 157.1 43.42 Favored 'General case' 0 C--O 1.24 0.567 0 C-N-CA 125.914 1.686 . . . . 10.0 110.881 176.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -1' ' ' VAL . . . . . . . . . . . . . 9.1 p -61.32 153.29 5.52 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 C-N-CA 125.267 1.427 . . . . 10.0 112.504 177.688 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1863 ' ' VAL . . . . . . . . . . . . . 31.6 m -110.42 162.69 7.83 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 C-N-CA 125.416 1.487 . . . . 10.0 112.804 -178.368 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1864 ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -101.8 -13.51 17.67 Favored 'General case' 0 CA--C 1.548 0.885 0 N-CA-C 114.488 1.292 . . . . 10.0 114.488 -172.249 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1865 ' ' CYS . . . . . . . . . . . . . 37.2 t -56.23 109.32 0.58 Allowed 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 126.01 1.724 . . . . 10.0 113.613 -174.122 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1866 ' ' GLY . . . . . . . . . . . . . . . -104.42 100.16 1.77 Allowed Glycine 0 CA--C 1.535 1.314 0 C-N-CA 125.089 1.328 . . . . 10.0 112.468 176.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1867 ' ' HIS . . . . . . . . . . . . . 18.3 p-80 -53.8 126.37 21.89 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.93 0.892 . . . . 10.0 112.724 178.337 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1868 ' ' VAL . . . . . . . . . . . . 0.285 8.9 p 47.14 35.39 0.24 Allowed 'Isoleucine or valine' 0 CA--C 1.554 1.128 0 C-N-CA 128.622 2.769 . . . . 10.0 115.016 177.38 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1869 ' ' THR . . . . . . . . . . . . . 3.3 m -143.2 133.41 24.49 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 125.494 1.518 . . . . 10.0 107.477 172.778 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1870 ' ' ALA . . . . . . . . . . . . . . . -72.13 155.57 40.12 Favored 'General case' 0 CA--C 1.549 0.904 0 CA-C-O 122.184 0.993 . . . . 10.0 112.012 -176.147 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1871 ' ' TYR . . . . . . . . . . . . . 20.2 p90 -148.74 152.41 36.55 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 126.816 2.046 . . . . 10.0 110.98 175.523 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1872 ' ' GLY . . . . . . . . . . . . . . . 142.44 168.71 11.89 Favored Glycine 0 N--CA 1.474 1.209 0 C-N-CA 125.214 1.388 . . . . 10.0 112.629 -176.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1873 ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo -70.55 -29.58 19.87 Favored 'Trans proline' 0 C--N 1.35 0.657 0 C-N-CA 123.1 2.533 . . . . 10.0 113.57 -178.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1874 ' ' GLY . . . . . . . . . . . . . . . -66.01 -12.9 58.68 Favored Glycine 0 C--N 1.35 1.333 0 N-CA-C 116.396 1.318 . . . . 10.0 116.396 -176.336 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1875 ' ' LEU . . . . . . . . . . . . . 18.7 mt -87.45 -14.91 39.19 Favored 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 113.286 0.847 . . . . 10.0 113.286 177.602 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1876 ' ' THR . . . . . . . . . . . . . 42.2 p -127.72 -31.4 2.45 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 125.173 1.389 . . . . 10.0 113.258 -174.257 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1877 ' ' HIS . . . . . . . . . . . . . 27.1 m-70 -138.06 -178.58 5.33 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 127.045 2.138 . . . . 10.0 111.691 173.8 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1878 ' ' GLY . . . . . . . . . . . . . . . -166.7 175.31 42.05 Favored Glycine 0 CA--C 1.537 1.444 0 C-N-CA 124.406 1.003 . . . . 10.0 112.78 179.664 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1879 ' ' VAL . . . . . . . . . . . . . 9.1 t -133.23 117.64 29.24 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 124.708 1.203 . . . . 10.0 110.073 172.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1880 ' ' VAL . . . . . 0.434 HG23 HG12 ' A' 1952 ' ' VAL . 72.8 t -61.39 135.95 25.48 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.25 0 C-N-CA 123.779 0.832 . . . . 10.0 110.123 179.57 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1881 ' ' ASN . . . . . . . . . . . . . 80.1 m-20 54.34 21.43 3.18 Favored 'General case' 0 CA--C 1.553 1.075 0 N-CA-C 116.568 2.062 . . . . 10.0 116.568 -176.624 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1882 ' ' LYS . . . . . . . . . . . . . 14.8 tppt? -135.09 144.22 49.24 Favored Pre-proline 0 CA--C 1.549 0.909 0 C-N-CA 125.103 1.361 . . . . 10.0 109.433 168.36 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1883 ' ' PRO . . . . . . . . . . . . . 67.7 Cg_exo -56.67 135.64 71.64 Favored 'Trans proline' 0 CA--C 1.54 0.776 0 C-N-CA 123.506 2.804 . . . . 10.0 114.48 -168.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1884 ' ' ALA . . . . . . . . . . . . . . . -111.45 145.61 38.67 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.048 1.339 . . . . 10.0 111.204 172.011 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1885 ' ' THR . . . . . . . . . . . . . 71.1 p -148.99 159.3 44.34 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 125.639 1.576 . . . . 10.0 113.94 -170.251 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1886 ' ' PHE . . . . . . . . . . . . . 31.9 p90 -154.93 175.85 13.26 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 126.824 2.05 . . . . 10.0 111.896 167.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1887 ' ' THR . . . . . . . . . . . . . 55.4 m -134.1 145.54 49.44 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 127.386 2.274 . . . . 10.0 109.421 -174.316 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1888 ' ' VAL . . . . . 0.458 HG12 ' CB ' ' A' 1920 ' ' CYS . 10.2 p -149.49 86.33 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 CA-C-N 120.298 1.408 . . . . 10.0 114.329 -179.143 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1889 ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -84.0 111.39 19.24 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.536 1.134 . . . . 10.0 113.597 -169.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1890 ' ' THR . . . . . . . . . . . . . 22.9 p -90.57 98.02 11.53 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 126.647 1.979 . . . . 10.0 111.115 -178.267 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1891 ' ' LYS . . . . . . . . . . . . . 5.4 mtpm? -91.66 -85.96 0.23 Allowed 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 126.173 1.789 . . . . 10.0 111.322 -178.663 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 33.4 t70 -75.57 -31.82 60.14 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.562 1.145 . . . . 10.0 113.516 -171.051 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1893 ' ' ALA . . . . . . . . . . . . . . . -70.24 -27.28 64.33 Favored 'General case' 0 CA--C 1.55 0.977 0 N-CA-C 114.849 1.426 . . . . 10.0 114.849 -170.171 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . 157.78 -176.68 34.81 Favored Glycine 0 CA--C 1.527 0.8 0 C-N-CA 124.724 1.154 . . . . 10.0 112.845 -175.321 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1895 ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -79.76 1.57 26.18 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 115.404 1.631 . . . . 10.0 115.404 -170.529 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1896 ' ' GLY . . . . . . . . . . . . . . . 104.54 70.41 0.8 Allowed Glycine 0 CA--C 1.534 1.271 0 C-N-CA 125.792 1.663 . . . . 10.0 112.01 178.755 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1897 ' ' GLY . . . . . . . . . . . . . . . -108.94 8.6 33.76 Favored Glycine 0 CA--C 1.539 1.537 0 C-N-CA 125.8 1.667 . . . . 10.0 114.406 177.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1898 ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.74 166.16 15.83 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.417 1.487 . . . . 10.0 113.611 -178.632 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1899 ' ' SER . . . . . . . . . . . . . 4.9 t -154.74 165.53 36.3 Favored 'General case' 0 N--CA 1.476 0.855 0 O-C-N 120.812 -1.18 . . . . 10.0 111.995 176.36 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1900 ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -160.76 168.21 25.27 Favored 'General case' 0 N--CA 1.441 -0.918 0 C-N-CA 124.101 0.96 . . . . 10.0 113.531 -167.176 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1901 ' ' ALA . . . . . . . . . . . . . . . -150.59 167.56 26.91 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 126.023 1.729 . . . . 10.0 111.012 169.178 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1902 ' ' ILE . . . . . . . . . . . . . 3.6 mp -123.01 125.88 72.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 C-N-CA 126.011 1.724 . . . . 10.0 108.931 172.214 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1903 ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -123.35 175.68 6.58 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 127.297 2.239 . . . . 10.0 110.888 173.746 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1904 ' ' GLY . . . . . . . . . . . . . . . 166.25 -154.99 25.92 Favored Glycine 0 CA--C 1.542 1.758 0 O-C-N 120.944 -1.097 . . . . 10.0 111.041 -176.775 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1905 ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -71.33 -13.41 30.66 Favored 'Trans proline' 0 CA--C 1.537 0.63 0 C-N-CA 122.359 2.039 . . . . 10.0 113.028 170.142 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1906 ' ' SER . . . . . . . . . . . . . 14.4 t -153.24 170.62 20.14 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 128.699 2.8 . . . . 10.0 109.635 -169.733 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1907 ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -91.55 166.28 12.91 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-O 122.056 0.931 . . . . 10.0 112.026 176.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1908 ' ' ALA . . . . . . . . . . . . . . . -139.27 119.98 14.21 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 126.002 1.721 . . . . 10.0 108.62 172.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1909 ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -62.76 122.99 17.27 Favored 'General case' 0 N--CA 1.468 0.465 0 O-C-N 120.792 -1.192 . . . . 10.0 110.361 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1910 ' ' ILE . . . . . . . . . . . . . 47.2 mt -100.13 133.85 41.74 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 C-N-CA 124.471 1.108 . . . . 10.0 111.019 -173.38 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1911 ' ' SER . . . . . . . . . . . . . 38.9 m -125.29 157.92 35.44 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 126.331 1.852 . . . . 10.0 112.418 170.456 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1912 ' ' CYS . . . . . . . . . . . . . 29.9 p -141.8 179.41 6.87 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 127.187 2.195 . . . . 10.0 110.709 176.649 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1913 ' ' THR . . . . . . . . . . . . . 30.1 m -136.95 156.98 47.76 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 127.066 2.146 . . . . 10.0 110.668 179.355 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1914 ' ' ASP . . . . . . . . . . . . . 8.5 t70 -60.1 104.29 0.3 Allowed 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 124.359 1.063 . . . . 10.0 110.324 175.473 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1915 ' ' ASN . . . . . . . . . . . . . 18.8 p-10 -75.51 54.69 0.77 Allowed 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 127.495 2.318 . . . . 10.0 115.255 -167.645 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1916 ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -60.38 -18.39 50.04 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 124.968 1.307 . . . . 10.0 114.354 171.777 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1917 ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -93.93 2.03 56.2 Favored 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 126.326 1.851 . . . . 10.0 113.538 178.534 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1918 ' ' GLY . . . . . . . . . . . . . . . 71.53 34.69 63.21 Favored Glycine 0 CA--C 1.537 1.411 0 CA-C-N 119.448 1.022 . . . . 10.0 114.113 172.795 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1919 ' ' THR . . . . . . . . . . . . . 10.0 t -152.06 154.33 35.73 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.235 1.414 . . . . 10.0 112.318 179.514 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1920 ' ' CYS . . . . . 0.458 ' CB ' HG12 ' A' 1888 ' ' VAL . 0.5 OUTLIER -82.88 105.55 13.99 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 119.135 0.879 . . . . 10.0 111.497 179.732 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A 1921 ' ' SER . . . . . . . . . . . . . 68.6 m -79.06 59.5 2.71 Favored 'General case' 0 CA--C 1.551 0.992 0 CA-C-O 122.684 1.23 . . . . 10.0 111.843 177.429 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1922 ' ' VAL . . . . . . . . . . . . . 41.8 t -74.56 119.75 22.59 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 125.552 1.541 . . . . 10.0 111.493 -173.103 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1923 ' ' SER . . . . . . . . . . . . . 50.6 m -127.08 131.72 50.81 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 124.897 1.279 . . . . 10.0 110.571 176.004 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1924 ' ' TYR . . . . . . . . . . . . . 18.7 p90 -145.88 176.33 9.76 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.406 1.082 . . . . 10.0 111.169 -178.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1925 ' ' LEU . . . . . . . . . . . . . 1.3 mt -142.71 101.01 5.49 Favored Pre-proline 0 CA--C 1.557 1.219 0 C-N-CA 124.264 1.026 . . . . 10.0 109.789 -174.456 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1926 ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -70.86 132.17 21.06 Favored 'Trans proline' 0 C--N 1.353 0.78 0 C-N-CA 122.938 2.425 . . . . 10.0 111.741 174.139 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1927 ' ' VAL . . . . . . . . . . . . . 28.3 m -94.83 -17.17 7.18 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.392 0 N-CA-C 113.315 0.857 . . . . 10.0 113.315 -172.743 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1928 ' ' LEU . . . . . . . . . . . . . 15.8 mt -142.3 160.61 54.05 Favored Pre-proline 0 CA--C 1.547 0.836 0 C-N-CA 126.6 1.96 . . . . 10.0 111.101 172.65 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1929 ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -71.48 154.76 60.38 Favored 'Trans proline' 0 C--N 1.351 0.689 0 C-N-CA 124.079 3.186 . . . . 10.0 111.419 177.067 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1930 ' ' GLY . . . . . . . . . . . . . . . 167.53 179.14 40.14 Favored Glycine 0 CA--C 1.537 1.427 0 N-CA-C 116.288 1.275 . . . . 10.0 116.288 -175.762 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1931 ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -90.67 87.63 6.78 Favored 'General case' 0 C--O 1.245 0.833 0 C-N-CA 128.283 2.633 . . . . 10.0 108.602 171.068 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1932 ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -86.72 116.08 24.59 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 120.953 -1.092 . . . . 10.0 112.093 -174.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1933 ' ' SER . . . . . . . . . . . . . 61.6 m -78.39 128.5 33.73 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 123.73 0.812 . . . . 10.0 111.508 174.068 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1934 ' ' ILE . . . . . . . . . . . . . 7.8 mm -99.5 120.2 48.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 C-N-CA 126.49 1.916 . . . . 10.0 107.147 167.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1935 ' ' LEU . . . . . . . . . . . . . 2.6 mm? -106.74 66.54 0.69 Allowed 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 125.315 1.446 . . . . 10.0 110.172 -172.374 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1936 ' ' VAL . . . . . . . . . . . . . 59.7 t -74.53 133.53 31.35 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 O-C-N 121.142 -0.974 . . . . 10.0 111.746 177.123 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1937 ' ' LYS . . . . . . . . . . . . . 67.7 mttm -125.5 151.82 45.8 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 128.314 2.646 . . . . 10.0 113.402 177.68 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1938 ' ' TYR . . . . . . . . . . . . . 4.4 t80 -128.25 95.92 4.3 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 125.541 1.536 . . . . 10.0 109.709 169.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1939 ' ' ASN . . . . . . . . . . . . . 2.5 t30 52.51 78.4 0.13 Allowed 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 127.2 2.2 . . . . 10.0 112.648 -170.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1940 ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 70.78 -15.11 0.4 Allowed 'General case' 0 C--O 1.251 1.183 0 C-N-CA 129.764 3.226 . . . . 10.0 117.444 172.514 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1941 ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -118.76 147.26 44.06 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 125.949 1.7 . . . . 10.0 110.668 -177.671 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1942 ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -65.02 153.12 41.63 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-O 121.93 0.871 . . . . 10.0 113.289 -174.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1943 ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -71.29 167.38 30.24 Favored Pre-proline 0 CA--C 1.556 1.177 0 C-N-CA 126.492 1.917 . . . . 10.0 112.433 179.084 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1944 ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -61.67 97.19 0.14 Allowed 'Trans proline' 0 CA--C 1.536 0.617 0 C-N-CA 123.998 3.132 . . . . 10.0 112.504 -178.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1945 ' ' GLY . . . . . . . . . . . . . . . 98.88 -6.42 60.25 Favored Glycine 0 CA--C 1.539 1.583 0 CA-C-O 117.662 -1.632 . . . . 10.0 116.754 -176.573 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1946 ' ' SER . . . . . . . . . . . . . 39.3 m -70.04 156.09 92.37 Favored Pre-proline 0 CA--C 1.549 0.942 0 CA-C-N 119.836 1.818 . . . . 10.0 110.821 173.008 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1947 ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo -73.69 165.83 83.72 Favored 'Cis proline' 0 C--N 1.353 0.801 0 N-CA-C 114.545 0.941 . . . . 10.0 114.545 -2.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1948 ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -114.49 117.33 30.67 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 126.02 1.728 . . . . 10.0 111.808 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1949 ' ' THR . . . . . . . . . . . . . 46.5 m -92.24 97.32 10.82 Favored 'General case' 0 N--CA 1.481 1.121 0 O-C-N 120.812 -1.18 . . . . 10.0 112.177 -179.514 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1950 ' ' ALA . . . . . . . . . . . . . . . -83.36 152.96 24.82 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 124.501 1.12 . . . . 10.0 113.763 178.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1951 ' ' ARG . . . . . . . . . . . . . 40.9 mtt180 -123.65 83.44 2.14 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-O 123.32 1.534 . . . . 10.0 113.906 -177.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1952 ' ' VAL . . . . . 0.434 HG12 HG23 ' A' 1880 ' ' VAL . 2.8 t -60.53 100.72 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.728 0 C-N-CA 130.046 3.338 . . . . 10.0 112.368 175.296 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1953 ' ' THR . . . . . . . . . . . . . 26.0 m -67.25 132.79 48.45 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.757 1.623 . . . . 10.0 110.815 175.609 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1954 ' ' GLY . . . . . . . . . . . . . . . -67.03 169.16 35.89 Favored Glycine 0 CA--C 1.542 1.73 0 N-CA-C 115.941 1.136 . . . . 10.0 115.941 -179.254 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1955 ' ' ASP . . . . . . . . . . . . . 32.8 t70 -139.79 -31.89 0.65 Allowed 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.453 1.501 . . . . 10.0 112.145 176.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1956 ' ' ASP . . . . . . . . . . . . . 6.2 p-10 . . . . . 0 C--O 1.252 1.193 0 C-N-CA 126.98 2.112 . . . . 10.0 114.026 179.952 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.407 0 N-CA-C 111.634 -0.587 . . . . 10.0 111.634 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' -3' ' ' ALA . . . . . . . . . . . . . . . -67.81 166.12 16.08 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 125.275 1.43 . . . . 10.0 113.263 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 64.6 mtt -141.52 159.33 42.44 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 126.413 1.885 . . . . 10.0 112.127 178.289 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -1' ' ' VAL . . . . . . . . . . . . . 35.1 m -76.82 164.84 3.36 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 C-N-CA 124.677 1.191 . . . . 10.0 111.376 170.296 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1863 ' ' VAL . . . . . . . . . . . . . 47.2 t -77.22 104.56 5.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 124.498 1.119 . . . . 10.0 109.455 169.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1864 ' ' ASN . . . . . . . . . . . . . 11.6 p30 -64.05 154.18 35.13 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 113.748 1.018 . . . . 10.0 113.748 179.36 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1865 ' ' CYS . . . . . . . . . . . . . 81.9 m -70.58 -66.65 0.58 Allowed 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 125.375 1.47 . . . . 10.0 112.405 -175.794 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1866 ' ' GLY . . . . . . . . . . . . . . . 72.71 -41.13 0.82 Allowed Glycine 0 CA--C 1.54 1.598 0 C-N-CA 126.632 2.063 . . . . 10.0 116.21 178.196 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1867 ' ' HIS . . . . . . . . . . . . . 65.3 m80 -90.43 173.87 7.86 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 127.301 2.241 . . . . 10.0 112.4 -171.051 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1868 ' ' VAL . . . . . . . . . . . . . 6.0 p -44.85 128.43 1.52 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 124.79 1.236 . . . . 10.0 112.159 171.258 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1869 ' ' THR . . . . . . . . . . . . . 6.4 m -123.91 141.47 52.0 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 124.288 1.035 . . . . 10.0 109.133 -176.139 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1870 ' ' ALA . . . . . . . . . . . . . . . -122.43 127.13 49.27 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.204 1.001 . . . . 10.0 110.9 172.207 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1871 ' ' TYR . . . . . . . . . . . . . 39.1 p90 -156.05 174.49 15.28 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 126.559 1.943 . . . . 10.0 109.774 -171.127 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1872 ' ' GLY . . . . . . . . . . . . . . . 119.73 169.45 14.17 Favored Glycine 0 CA--C 1.536 1.385 0 O-C-N 121.051 -1.031 . . . . 10.0 114.57 174.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1873 ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -66.44 -29.62 44.98 Favored 'Trans proline' 0 CA--C 1.536 0.612 0 C-N-CA 122.754 2.303 . . . . 10.0 112.461 -173.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1874 ' ' GLY . . . . . . . . . . . . . . . -66.23 -0.73 8.1 Favored Glycine 0 N--CA 1.473 1.128 0 CA-C-O 118.716 -1.047 . . . . 10.0 115.399 175.604 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1875 ' ' LEU . . . . . . . . . . . . . 21.0 mt -107.65 -2.74 19.9 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-N 119.251 1.525 . . . . 10.0 113.74 171.308 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1876 ' ' THR . . . . . . . . . . . . . 60.2 p -134.13 -15.92 2.22 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 125.676 1.59 . . . . 10.0 114.551 -178.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1877 ' ' HIS . . . . . . . . . . . . . 2.7 t-80 -148.2 177.13 9.66 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 127.784 2.434 . . . . 10.0 112.697 178.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1878 ' ' GLY . . . . . . . . . . . . . . . -169.08 169.38 41.85 Favored Glycine 0 CA--C 1.54 1.633 0 C-N-CA 125.575 1.56 . . . . 10.0 113.417 179.645 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1879 ' ' VAL . . . . . . . . . . . . . 11.9 t -130.84 121.25 49.59 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 C-N-CA 125.61 1.564 . . . . 10.0 111.126 174.377 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1880 ' ' VAL . . . . . . . . . . . . . 28.6 t -69.12 133.68 31.46 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.385 0 O-C-N 120.687 -1.258 . . . . 10.0 111.036 178.722 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1881 ' ' ASN . . . . . . . . . . . . . 78.7 m-20 65.13 7.65 4.26 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 127.785 2.434 . . . . 10.0 116.086 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1882 ' ' LYS . . . . . 0.412 ' HA ' ' HD3' ' A' 1883 ' ' PRO . 5.0 tmmm? -133.92 139.74 34.29 Favored Pre-proline 0 N--CA 1.484 1.255 0 CA-C-N 120.576 1.535 . . . . 10.0 111.715 169.285 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1883 ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' 1882 ' ' LYS . 73.8 Cg_exo -54.04 145.73 51.44 Favored 'Trans proline' 0 C--O 1.238 0.485 0 C-N-CA 123.502 2.801 . . . . 10.0 115.243 -169.845 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1884 ' ' ALA . . . . . . . . . . . . . . . -128.17 158.03 39.19 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 125.061 1.345 . . . . 10.0 111.251 174.103 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1885 ' ' THR . . . . . . . . . . . . . 74.5 p -143.25 157.68 44.28 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.828 1.251 . . . . 10.0 114.282 -172.006 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1886 ' ' PHE . . . . . . . . . . . . . 43.6 p90 -150.96 169.7 21.13 Favored 'General case' 0 CA--C 1.556 1.175 0 C-N-CA 124.018 0.927 . . . . 10.0 112.424 169.712 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1887 ' ' THR . . . . . . . . . . . . . 16.5 m -111.81 146.55 37.44 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.329 1.451 . . . . 10.0 110.967 -169.248 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1888 ' ' VAL . . . . . . . . . . . . . 2.4 m -150.14 42.04 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.164 0 C-N-CA 126.826 2.051 . . . . 10.0 110.981 -168.032 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1889 ' ' ASN . . . . . . . . . . . . . 60.8 t-20 -48.32 104.97 0.07 Allowed 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 128.326 2.65 . . . . 10.0 112.75 -176.629 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1890 ' ' THR . . . . . . . . . . . . . 1.1 p -76.24 58.78 1.3 Allowed 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 128.727 2.811 . . . . 10.0 114.175 -172.577 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1891 ' ' LYS . . . . . . . . . . . . . 36.6 mtpt -65.47 109.63 2.39 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 127.477 2.311 . . . . 10.0 110.559 179.127 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 25.8 t70 50.51 28.64 3.5 Favored 'General case' 0 CA--C 1.555 1.166 0 C-N-CA 127.033 2.133 . . . . 10.0 113.596 -177.176 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1893 ' ' ALA . . . . . . . . . . . . . . . -72.35 -40.24 67.5 Favored 'General case' 0 CA--C 1.55 0.97 0 N-CA-C 115.252 1.575 . . . . 10.0 115.252 -168.516 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . 127.23 -156.25 20.27 Favored Glycine 0 CA--C 1.534 1.239 0 C-N-CA 124.72 1.152 . . . . 10.0 113.308 -170.299 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1895 ' ' GLU . . . . . . . . . . . . . 68.4 mt-10 -81.27 2.41 28.12 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 125.687 1.595 . . . . 10.0 115.011 -178.759 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1896 ' ' GLY . . . . . . . . . . . . . . . 98.55 56.76 1.02 Allowed Glycine 0 N--CA 1.471 1.031 0 C-N-CA 125.861 1.696 . . . . 10.0 114.402 -179.396 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1897 ' ' GLY . . . . . . . . . . . . . . . -88.44 41.53 3.06 Favored Glycine 0 CA--C 1.548 2.103 0 C-N-CA 126.061 1.791 . . . . 10.0 113.102 -177.62 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1898 ' ' LEU . . . . . 0.407 ' HB3' ' CD2' ' A' 1938 ' ' TYR . 0.0 OUTLIER -114.15 162.97 15.83 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.978 1.311 . . . . 10.0 113.806 -170.822 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A 1899 ' ' SER . . . . . . . . . . . . . 14.4 t -153.8 146.19 23.97 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 126.094 1.758 . . . . 10.0 111.081 175.001 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1900 ' ' LEU . . . . . 0.474 HD11 HG21 ' A' 1922 ' ' VAL . 51.2 mt -107.36 153.21 23.09 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 124.671 1.188 . . . . 10.0 113.252 173.302 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1901 ' ' ALA . . . . . . . . . . . . . . . -145.43 150.19 36.07 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 125.268 1.427 . . . . 10.0 108.269 163.443 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1902 ' ' ILE . . . . . . . . . . . . . 1.1 mp -128.25 141.05 47.54 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.59 0 C-N-CA 125.973 1.709 . . . . 10.0 109.416 174.347 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1903 ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -129.92 173.66 10.48 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 126.627 1.971 . . . . 10.0 110.278 176.713 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1904 ' ' GLY . . . . . . . . . . . . . . . 146.88 -162.49 28.55 Favored Glycine 0 CA--C 1.538 1.514 0 O-C-N 120.959 -1.088 . . . . 10.0 111.502 -170.39 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1905 ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -72.43 -15.26 27.95 Favored 'Trans proline' 0 CA--C 1.542 0.891 0 C-N-CA 123.692 2.928 . . . . 10.0 113.135 171.281 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1906 ' ' SER . . . . . . . . . . . . . 12.7 t -154.43 -179.32 7.84 Favored 'General case' 0 C--O 1.246 0.91 0 C-N-CA 126.794 2.037 . . . . 10.0 110.087 -167.735 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1907 ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -133.63 174.68 10.17 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 126.191 1.796 . . . . 10.0 111.977 -173.246 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1908 ' ' ALA . . . . . . . . . . . . . . . -148.07 158.11 43.88 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.447 1.099 . . . . 10.0 111.198 -177.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1909 ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -89.89 102.1 14.8 Favored 'General case' 0 CA--C 1.552 1.029 0 O-C-N 120.867 -1.145 . . . . 10.0 110.461 176.07 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1910 ' ' ILE . . . . . . . . . . . . . 83.1 mt -74.34 145.73 10.83 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 126.21 1.804 . . . . 10.0 110.643 -176.248 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1911 ' ' SER . . . . . . . . . . . . . 22.8 t -144.66 155.63 43.69 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 127.881 2.472 . . . . 10.0 110.019 170.718 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1912 ' ' CYS . . . . . . . . . . . . . 80.5 m -139.64 152.51 46.83 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 125.984 1.714 . . . . 10.0 110.692 179.268 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1913 ' ' THR . . . . . . . . . . . . . 88.6 m -135.5 114.97 12.61 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.19 0.996 . . . . 10.0 111.848 179.3 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1914 ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -67.93 88.43 0.27 Allowed 'General case' 0 C--O 1.244 0.813 0 C-N-CA 124.492 1.117 . . . . 10.0 111.288 170.502 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1915 ' ' ASN . . . . . . . . . . . . . 61.4 t30 -80.52 153.61 28.02 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.197 1.399 . . . . 10.0 110.777 -173.522 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1916 ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -61.8 -20.05 63.2 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 127.618 2.367 . . . . 10.0 114.564 175.097 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1917 ' ' ASP . . . . . . . . . . . . . 19.3 t70 -88.37 -2.41 58.58 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 121.245 -0.909 . . . . 10.0 112.617 179.228 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1918 ' ' GLY . . . . . . . . . . . . . . . 95.71 30.31 8.11 Favored Glycine 0 CA--C 1.535 1.283 0 N-CA-C 116.097 1.199 . . . . 10.0 116.097 173.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1919 ' ' THR . . . . . . . . . . . . . 8.6 t -132.0 158.21 42.08 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 125.816 1.646 . . . . 10.0 111.997 178.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1920 ' ' CYS . . . . . . . . . . . . . 1.9 t -96.15 9.62 40.34 Favored 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 125.677 1.591 . . . . 10.0 113.818 -176.274 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1921 ' ' SER . . . . . . . . . . . . . 74.7 m 15.97 90.75 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 130.305 3.442 . . . . 10.0 116.325 175.007 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1922 ' ' VAL . . . . . 0.474 HG21 HD11 ' A' 1900 ' ' LEU . 69.4 t -84.78 142.88 12.71 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 C-N-CA 125.06 1.344 . . . . 10.0 112.079 -173.358 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1923 ' ' SER . . . . . . . . . . . . . 27.5 t -132.9 149.0 52.29 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 125.238 1.415 . . . . 10.0 111.672 169.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1924 ' ' TYR . . . . . . . . . . . . . 18.7 p90 -152.65 170.69 19.61 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 127.032 2.133 . . . . 10.0 110.136 175.74 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1925 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -149.44 95.09 3.82 Favored Pre-proline 0 CA--C 1.552 1.039 0 O-C-N 121.12 -0.987 . . . . 10.0 111.133 -175.014 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1926 ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -72.6 146.34 43.63 Favored 'Trans proline' 0 C--N 1.354 0.833 0 C-N-CA 123.067 2.512 . . . . 10.0 112.354 -179.28 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1927 ' ' VAL . . . . . . . . . . . . . 35.6 m -106.51 -9.73 10.44 Favored 'Isoleucine or valine' 0 C--O 1.243 0.744 0 C-N-CA 125.339 1.456 . . . . 10.0 114.712 -179.692 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1928 ' ' LEU . . . . . . . . . . . . . 18.3 mt -142.25 158.21 61.64 Favored Pre-proline 0 CA--C 1.553 1.06 0 C-N-CA 125.337 1.455 . . . . 10.0 112.165 169.633 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1929 ' ' PRO . . . . . . . . . . . . . 9.8 Cg_exo -61.64 163.27 18.83 Favored 'Trans proline' 0 CA--C 1.545 1.031 0 C-N-CA 123.099 2.532 . . . . 10.0 112.322 172.175 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1930 ' ' GLY . . . . . . . . . . . . . . . 156.81 178.99 31.43 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 116.085 1.194 . . . . 10.0 116.085 172.197 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1931 ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -94.81 82.59 3.9 Favored 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 126.239 1.816 . . . . 10.0 108.874 174.363 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1932 ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -78.96 103.9 9.23 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.251 1.42 . . . . 10.0 111.966 -172.504 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1933 ' ' SER . . . . . . . . . . . . . 32.2 t -63.6 142.36 58.43 Favored 'General case' 0 CA--C 1.541 0.635 0 O-C-N 120.421 -1.424 . . . . 10.0 111.038 172.199 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1934 ' ' ILE . . . . . . . . . . . . . 5.3 mm -124.13 122.68 64.9 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 126.224 1.81 . . . . 10.0 110.764 178.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1935 ' ' LEU . . . . . . . . . . . . . 2.2 mm? -115.33 78.36 1.16 Allowed 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 127.344 2.258 . . . . 10.0 109.87 -172.13 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1936 ' ' VAL . . . . . . . . . . . . . 22.1 t -81.43 104.76 10.46 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.26 0 C-N-CA 125.47 1.508 . . . . 10.0 110.04 178.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1937 ' ' LYS . . . . . . . . . . . . . 60.9 mttp -100.16 141.21 33.3 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 123.923 0.889 . . . . 10.0 112.013 178.193 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1938 ' ' TYR . . . . . 0.407 ' CD2' ' HB3' ' A' 1898 ' ' LEU . 1.6 t80 -136.22 113.43 10.61 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 126.503 1.921 . . . . 10.0 108.113 169.148 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1939 ' ' ASN . . . . . . . . . . . . . 1.1 t30 54.83 73.13 0.43 Allowed 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.726 1.611 . . . . 10.0 113.808 -173.091 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1940 ' ' GLU . . . . . . . . . . . . . 19.7 tt0 65.58 -6.14 0.43 Allowed 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 127.906 2.482 . . . . 10.0 115.845 170.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1941 ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -140.04 164.6 29.6 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.333 1.453 . . . . 10.0 112.531 -179.306 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1942 ' ' HIS . . . . . . . . . . . . . 34.0 m170 -70.02 149.06 48.1 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 113.695 0.998 . . . . 10.0 113.695 -175.646 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1943 ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -70.73 167.04 30.91 Favored Pre-proline 0 C--O 1.242 0.672 0 C-N-CA 126.992 2.117 . . . . 10.0 112.061 178.795 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1944 ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -59.71 111.82 1.08 Allowed 'Trans proline' 0 CA--C 1.534 0.504 1 C-N-CA 126.129 4.553 . . . . 10.0 112.474 178.816 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1945 ' ' GLY . . . . . . . . . . . . . . . 98.52 -15.31 61.24 Favored Glycine 0 N--CA 1.476 1.334 0 C-N-CA 126.154 1.835 . . . . 10.0 115.382 -179.078 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1946 ' ' SER . . . . . . . . . . . . . 12.7 m -72.83 155.77 90.4 Favored Pre-proline 0 C--O 1.249 1.07 0 CA-C-N 118.595 1.198 . . . . 10.0 113.955 173.236 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1947 ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -73.72 167.95 77.82 Favored 'Cis proline' 0 CA--C 1.538 0.688 0 CA-C-N 119.91 1.004 . . . . 10.0 114.216 -1.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1948 ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -124.01 170.39 10.69 Favored 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 126.371 1.869 . . . . 10.0 110.882 174.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1949 ' ' THR . . . . . . . . . . . . . 28.8 m -142.1 99.87 3.61 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 125.417 1.487 . . . . 10.0 110.92 176.348 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1950 ' ' ALA . . . . . . . . . . . . . . . -74.91 157.47 34.98 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.139 0.976 . . . . 10.0 113.364 175.207 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1951 ' ' ARG . . . . . . . . . . . . . 39.1 ttp180 -120.68 87.18 2.7 Favored 'General case' 0 C--N 1.348 0.501 0 C-N-CA 125.472 1.509 . . . . 10.0 113.108 177.111 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1952 ' ' VAL . . . . . . . . . . . . . 2.1 t -65.1 93.47 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 126.951 2.1 . . . . 10.0 108.771 169.645 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1953 ' ' THR . . . . . . . . . . . . . 11.3 t -68.69 -32.24 71.91 Favored 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 115.88 1.807 . . . . 10.0 115.88 -167.519 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1954 ' ' GLY . . . . . . . . . . . . . . . 66.82 -174.27 25.29 Favored Glycine 0 CA--C 1.546 1.977 0 C-N-CA 124.995 1.283 . . . . 10.0 116.202 -178.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1955 ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -137.64 -43.38 0.54 Allowed 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 125.166 1.386 . . . . 10.0 113.586 -171.55 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1956 ' ' ASP . . . . . . . . . . . . . 33.3 t70 . . . . . 0 C--O 1.254 1.312 0 C-N-CA 125.517 1.527 . . . . 10.0 113.294 -177.428 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.727 0 N-CA-C 111.639 -0.584 . . . . 10.0 111.639 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' -3' ' ' ALA . . . . . . . . . . . . . . . -69.19 161.83 28.35 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 123.962 0.905 . . . . 10.0 113.198 177.772 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 57.2 mtt -132.81 -176.24 4.04 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 127.224 2.209 . . . . 10.0 110.445 173.326 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -1' ' ' VAL . . . . . . . . . . . . . 24.3 m -50.74 130.67 10.63 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.132 0 C-N-CA 125.081 1.352 . . . . 10.0 114.569 -173.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1863 ' ' VAL . . . . . . . . . . . . . 4.5 p -85.72 7.01 2.23 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 C-N-CA 126.821 2.048 . . . . 10.0 113.409 -179.627 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1864 ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -56.53 155.72 6.97 Favored 'General case' 0 CA--C 1.561 1.379 0 C-N-CA 126.998 2.119 . . . . 10.0 112.811 -178.172 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1865 ' ' CYS . . . . . . . . . . . . . 74.3 m -62.04 172.24 1.46 Allowed 'General case' 0 CA--C 1.552 1.052 0 C-N-CA 127.14 2.176 . . . . 10.0 114.549 -177.371 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1866 ' ' GLY . . . . . . . . . . . . . . . -139.06 61.53 0.57 Allowed Glycine 0 CA--C 1.534 1.239 0 C-N-CA 125.096 1.332 . . . . 10.0 111.94 178.428 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1867 ' ' HIS . . . . . . . . . . . . . 34.4 p80 -63.59 168.58 4.61 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.833 1.253 . . . . 10.0 112.538 176.475 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1868 ' ' VAL . . . . . . . . . . . . . 9.0 p -64.2 137.83 24.13 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 O-C-N 120.716 -1.24 . . . . 10.0 111.471 169.761 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1869 ' ' THR . . . . . . . . . . . . . 18.2 m -138.91 153.09 48.23 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.979 1.312 . . . . 10.0 110.484 -177.469 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1870 ' ' ALA . . . . . . . . . . . . . . . -123.84 126.78 47.04 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 126.375 1.87 . . . . 10.0 109.654 168.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1871 ' ' TYR . . . . . . . . . . . . . 54.2 p90 -149.36 156.39 41.98 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.251 1.02 . . . . 10.0 113.708 -175.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1872 ' ' GLY . . . . . . . . . . . . . . . 139.13 173.45 13.04 Favored Glycine 0 CA--C 1.534 1.266 0 C-N-CA 126.36 1.933 . . . . 10.0 115.073 179.371 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1873 ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -69.79 -24.81 29.12 Favored 'Trans proline' 0 C--N 1.351 0.665 0 C-N-CA 123.108 2.538 . . . . 10.0 112.609 179.415 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1874 ' ' GLY . . . . . . . . . . . . . . . -69.84 -7.73 59.49 Favored Glycine 0 CA--C 1.534 1.27 0 N-CA-C 116.022 1.169 . . . . 10.0 116.022 -178.666 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1875 ' ' LEU . . . . . . . . . . . . . 65.2 mt -87.2 -16.01 36.56 Favored 'General case' 0 CA--C 1.554 1.116 0 CA-C-N 119.022 1.411 . . . . 10.0 113.864 174.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1876 ' ' THR . . . . . . . . . . . . . 40.0 p -127.86 -30.65 2.48 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 125.022 1.329 . . . . 10.0 113.607 -171.531 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1877 ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -132.71 -179.81 5.69 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 125.648 1.579 . . . . 10.0 111.332 177.382 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1878 ' ' GLY . . . . . . . . . . . . . . . -168.8 177.01 42.86 Favored Glycine 0 CA--C 1.543 1.804 0 O-C-N 121.041 -1.037 . . . . 10.0 112.665 171.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1879 ' ' VAL . . . . . . . . . . . . . 7.4 p -136.49 134.18 49.34 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 124.673 1.189 . . . . 10.0 111.65 167.612 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1880 ' ' VAL . . . . . 0.517 HG23 HG12 ' A' 1952 ' ' VAL . 31.8 t -80.7 144.77 10.06 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 126.214 1.806 . . . . 10.0 111.797 -168.579 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1881 ' ' ASN . . . . . . . . . . . . . 2.1 m-80 66.79 10.14 7.3 Favored 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 126.409 1.883 . . . . 10.0 114.523 178.185 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1882 ' ' LYS . . . . . 0.427 ' HA ' ' HD3' ' A' 1883 ' ' PRO . 35.9 tptt -134.48 145.57 55.7 Favored Pre-proline 0 N--CA 1.472 0.656 0 C-N-CA 127.81 2.444 . . . . 10.0 109.829 173.402 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1883 ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' 1882 ' ' LYS . 51.0 Cg_exo -55.06 140.57 80.31 Favored 'Trans proline' 0 C--O 1.238 0.492 0 C-N-CA 123.45 2.767 . . . . 10.0 115.411 -175.382 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1884 ' ' ALA . . . . . . . . . . . . . . . -121.11 151.23 40.12 Favored 'General case' 0 C--O 1.242 0.699 0 C-N-CA 125.765 1.626 . . . . 10.0 110.997 173.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1885 ' ' THR . . . . . . . . . . . . . 58.9 p -150.25 160.85 43.39 Favored 'General case' 0 N--CA 1.483 1.196 0 O-C-N 121.295 -0.878 . . . . 10.0 113.032 -170.42 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1886 ' ' PHE . . . . . . . . . . . . . 39.1 p90 -149.5 151.34 33.77 Favored 'General case' 0 C--O 1.24 0.575 0 C-N-CA 125.176 1.391 . . . . 10.0 110.302 165.586 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1887 ' ' THR . . . . . . . . . . . . . 47.9 m -91.05 138.3 31.71 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 124.584 1.154 . . . . 10.0 110.807 179.589 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1888 ' ' VAL . . . . . . . . . . . . . 1.6 m -127.47 148.37 32.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 125.529 1.531 . . . . 10.0 109.352 169.108 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1889 ' ' ASN . . . . . . . . . . . . . 26.2 t30 -133.58 96.69 3.75 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 125.684 1.594 . . . . 10.0 111.913 -168.13 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1890 ' ' THR . . . . . . . . . . . . . 7.9 p -91.74 13.63 17.63 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 125.537 1.535 . . . . 10.0 113.759 -171.478 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1891 ' ' LYS . . . . . . . . . . . . . 53.7 mtpt -61.6 123.69 18.61 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 125.858 1.663 . . . . 10.0 112.481 -177.421 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 29.2 t70 50.54 20.69 0.74 Allowed 'General case' 0 CA--C 1.555 1.152 0 C-N-CA 126.426 1.89 . . . . 10.0 115.86 -176.707 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1893 ' ' ALA . . . . . . . . . . . . . . . -69.24 -24.27 63.98 Favored 'General case' 0 CA--C 1.551 0.981 0 N-CA-C 114.947 1.462 . . . . 10.0 114.947 -174.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . 146.3 -168.73 27.73 Favored Glycine 0 CA--C 1.536 1.402 0 C-N-CA 124.906 1.241 . . . . 10.0 111.682 -174.082 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1895 ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -68.43 -6.93 27.48 Favored 'General case' 0 CA--C 1.552 1.052 0 N-CA-C 115.148 1.536 . . . . 10.0 115.148 177.001 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1896 ' ' GLY . . . . . . . . . . . . . . . 125.08 178.68 15.41 Favored Glycine 0 CA--C 1.534 1.265 0 C-N-CA 127.27 2.367 . . . . 10.0 112.716 -175.599 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1897 ' ' GLY . . . . . . . . . . . . . . . 130.84 3.04 4.62 Favored Glycine 0 N--CA 1.477 1.38 0 CA-C-O 118.174 -1.348 . . . . 10.0 115.44 175.21 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1898 ' ' LEU . . . . . . . . . . . . . 3.1 tm? -59.61 117.14 4.58 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 119.093 1.446 . . . . 10.0 111.129 174.286 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1899 ' ' SER . . . . . . . . . . . . . 21.3 t -151.06 147.16 26.76 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.969 1.308 . . . . 10.0 111.321 176.019 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1900 ' ' LEU . . . . . 0.426 HD21 HG21 ' A' 1922 ' ' VAL . 3.3 pp -158.63 168.14 27.69 Favored 'General case' 0 N--CA 1.446 -0.638 0 N-CA-C 114.387 1.254 . . . . 10.0 114.387 -173.676 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1901 ' ' ALA . . . . . . . . . . . . . . . -155.43 167.58 29.9 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.036 1.334 . . . . 10.0 112.216 168.477 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1902 ' ' ILE . . . . . . . . . . . . . 2.4 mp -123.77 120.8 60.75 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 C-N-CA 125.502 1.521 . . . . 10.0 108.616 179.753 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1903 ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -89.74 178.63 6.2 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 126.004 1.722 . . . . 10.0 110.852 169.318 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1904 ' ' GLY . . . . . . . . . . . . . . . 158.68 -169.18 35.03 Favored Glycine 0 CA--C 1.539 1.576 0 C-N-CA 125.237 1.398 . . . . 10.0 113.053 -179.176 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1905 ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -70.49 -19.12 33.05 Favored 'Trans proline' 0 CA--C 1.546 1.096 0 C-N-CA 122.611 2.207 . . . . 10.0 112.001 173.527 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1906 ' ' SER . . . . . . . . . . . . . 20.2 t -147.87 118.13 7.34 Favored 'General case' 0 C--O 1.234 0.271 0 C-N-CA 129.987 3.315 . . . . 10.0 109.162 -169.477 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1907 ' ' LYS . . . . . . . . . . . . . 64.4 mmtt -64.05 110.86 2.29 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 127.126 2.17 . . . . 10.0 111.822 -171.698 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1908 ' ' ALA . . . . . . . . . . . . . . . -67.72 150.06 49.17 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.09 1.356 . . . . 10.0 112.63 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1909 ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -85.78 102.35 13.59 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.271 1.428 . . . . 10.0 110.87 174.145 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1910 ' ' ILE . . . . . . . . . . . . . 20.9 mm -77.4 131.03 35.54 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.782 0 C-N-CA 124.553 1.141 . . . . 10.0 110.396 -173.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1911 ' ' SER . . . . . . . . . . . . . 8.4 t -146.73 169.98 17.93 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 127.553 2.341 . . . . 10.0 113.249 169.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1912 ' ' CYS . . . . . . . . . . . . . 27.6 p -149.59 164.61 34.65 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.979 1.311 . . . . 10.0 112.02 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1913 ' ' THR . . . . . . . . . . . . . 31.8 m -127.02 122.28 33.99 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.501 1.12 . . . . 10.0 111.601 -175.62 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1914 ' ' ASP . . . . . . . . . . . . . 34.6 t70 -71.31 135.58 47.45 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 123.647 0.779 . . . . 10.0 112.822 168.618 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1915 ' ' ASN . . . . . . . . . . . . . 28.3 m120 -139.41 159.71 41.52 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 125.377 1.471 . . . . 10.0 112.305 173.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1916 ' ' GLN . . . . . . . . . . . . . 18.2 tt0 -54.95 -46.15 74.96 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 128.074 2.549 . . . . 10.0 114.536 -174.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1917 ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -89.98 0.6 57.0 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 114.599 1.333 . . . . 10.0 114.599 -167.765 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1918 ' ' GLY . . . . . . . . . . . . . . . 98.13 36.48 4.67 Favored Glycine 0 CA--C 1.534 1.225 0 N-CA-C 115.589 0.996 . . . . 10.0 115.589 171.628 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1919 ' ' THR . . . . . . . . . . . . . 47.1 p -100.64 157.29 16.79 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 125.984 1.714 . . . . 10.0 112.276 167.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1920 ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -122.57 20.7 10.28 Favored 'General case' 0 CA--C 1.56 1.342 0 C-N-CA 124.863 1.265 . . . . 10.0 113.7 -176.749 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1921 ' ' SER . . . . . . . . . . . . . 67.4 m -22.19 108.2 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 129.556 3.142 . . . . 10.0 116.109 -171.605 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1922 ' ' VAL . . . . . 0.426 HG21 HD21 ' A' 1900 ' ' LEU . 93.7 t -82.58 136.56 22.66 Favored 'Isoleucine or valine' 0 C--O 1.245 0.861 0 C-N-CA 126.882 2.073 . . . . 10.0 110.451 -173.595 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1923 ' ' SER . . . . . . . . . . . . . 67.3 m -135.14 127.53 30.4 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 125.749 1.619 . . . . 10.0 111.976 -172.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1924 ' ' TYR . . . . . . . . . . . . . 29.6 p90 -151.22 -178.05 6.41 Favored 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 124.951 1.3 . . . . 10.0 112.002 -177.357 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1925 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -145.67 96.79 4.7 Favored Pre-proline 0 CA--C 1.551 1.005 0 C-N-CA 125.614 1.566 . . . . 10.0 111.645 -174.198 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1926 ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -71.14 121.92 8.27 Favored 'Trans proline' 0 C--O 1.242 0.679 0 C-N-CA 123.64 2.894 . . . . 10.0 110.269 176.074 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1927 ' ' VAL . . . . . . . . . . . . . 25.5 m -106.06 -0.77 9.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 N-CA-C 114.345 1.239 . . . . 10.0 114.345 -171.535 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1928 ' ' LEU . . . . . . . . . . . . . 4.3 tt -153.17 131.62 6.52 Favored Pre-proline 0 N--CA 1.478 0.961 0 C-N-CA 124.723 1.209 . . . . 10.0 110.576 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1929 ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -51.25 133.34 41.83 Favored 'Trans proline' 0 CA--C 1.544 0.999 0 C-N-CA 124.402 3.401 . . . . 10.0 113.279 -178.686 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1930 ' ' GLY . . . . . . . . . . . . . . . -178.25 -178.11 47.44 Favored Glycine 0 N--CA 1.465 0.606 0 N-CA-C 117.6 1.8 . . . . 10.0 117.6 -171.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1931 ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -105.2 88.51 2.88 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 126.791 2.036 . . . . 10.0 108.673 176.345 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1932 ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -84.01 93.01 7.98 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.698 1.199 . . . . 10.0 110.835 -173.528 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1933 ' ' SER . . . . . . . . . . . . . 58.8 m -65.56 124.57 22.69 Favored 'General case' 0 C--N 1.328 -0.363 0 O-C-N 121.486 -0.759 . . . . 10.0 112.11 176.558 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1934 ' ' ILE . . . . . . . . . . . . . 5.1 mm -95.68 126.93 48.1 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.811 0 C-N-CA 124.422 1.089 . . . . 10.0 110.04 176.342 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1935 ' ' LEU . . . . . . . . . . . . . 3.4 mm? -113.16 94.85 5.08 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 126.279 1.831 . . . . 10.0 109.454 -179.435 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1936 ' ' VAL . . . . . . . . . . . . . 15.5 t -107.62 134.64 48.78 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.387 0 C-N-CA 124.509 1.124 . . . . 10.0 111.14 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1937 ' ' LYS . . . . . . . . . . . . . 98.8 mttt -130.49 155.86 45.76 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 125.828 1.651 . . . . 10.0 111.862 176.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1938 ' ' TYR . . . . . . . . . . . . . 26.2 t80 -138.39 105.16 5.36 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 126.765 2.026 . . . . 10.0 110.636 168.71 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1939 ' ' ASN . . . . . . . . . . . . . 1.1 t30 53.53 79.76 0.12 Allowed 'General case' 0 CA--C 1.562 1.427 0 C-N-CA 126.688 1.995 . . . . 10.0 112.475 -175.649 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1940 ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 64.1 -4.77 0.36 Allowed 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 128.851 2.86 . . . . 10.0 117.544 173.741 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1941 ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -128.5 149.92 50.38 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.554 1.541 . . . . 10.0 110.34 -176.324 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1942 ' ' HIS . . . . . . . . . . . . . 88.4 m-70 -70.69 153.13 43.11 Favored 'General case' 0 C--N 1.346 0.423 0 CA-C-O 121.948 0.88 . . . . 10.0 112.864 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1943 ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -72.53 164.63 58.45 Favored Pre-proline 0 CA--C 1.547 0.84 0 C-N-CA 125.349 1.46 . . . . 10.0 112.267 -179.092 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1944 ' ' PRO . . . . . . . . . . . . . 40.1 Cg_exo -53.36 114.02 1.56 Allowed 'Trans proline' 0 CA--C 1.545 1.03 0 C-N-CA 124.641 3.56 . . . . 10.0 112.846 179.714 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1945 ' ' GLY . . . . . . . . . . . . . . . 87.44 -7.95 78.95 Favored Glycine 0 CA--C 1.549 2.165 0 C-N-CA 125.173 1.368 . . . . 10.0 115.446 177.579 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1946 ' ' SER . . . . . . . . . . . . . 4.1 m -66.2 152.78 93.54 Favored Pre-proline 0 N--CA 1.471 0.604 0 CA-C-N 118.609 1.205 . . . . 10.0 113.172 174.648 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1947 ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -74.48 165.07 86.47 Favored 'Cis proline' 0 C--N 1.355 0.88 0 CA-C-O 122.2 0.833 . . . . 10.0 113.465 -3.307 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1948 ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -114.57 166.5 11.65 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 126.05 1.74 . . . . 10.0 109.862 174.73 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1949 ' ' THR . . . . . . . . . . . . . 31.6 m -140.01 102.13 4.32 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 125.002 1.321 . . . . 10.0 111.75 -179.302 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1950 ' ' ALA . . . . . . . . . . . . . . . -93.13 111.48 23.13 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.704 1.201 . . . . 10.0 112.478 -173.611 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1951 ' ' ARG . . . . . . . . . . . . . 12.8 ttt180 -88.88 81.04 6.99 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 113.243 0.831 . . . . 10.0 113.243 -178.79 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1952 ' ' VAL . . . . . 0.517 HG12 HG23 ' A' 1880 ' ' VAL . 2.7 t -56.12 112.65 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.928 0 C-N-CA 129.117 2.967 . . . . 10.0 112.625 171.457 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1953 ' ' THR . . . . . . . . . . . . . 33.3 m -87.72 147.26 25.3 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 125.081 1.352 . . . . 10.0 110.217 177.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1954 ' ' GLY . . . . . . . . . . . . . . . -66.8 172.17 29.34 Favored Glycine 0 C--N 1.346 1.137 0 O-C-N 121.269 -0.894 . . . . 10.0 114.403 173.221 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1955 ' ' ASP . . . . . . . . . . . . . 36.1 t70 -134.18 -71.99 0.49 Allowed 'General case' 0 CA--C 1.559 1.304 0 C-N-CA 124.354 1.062 . . . . 10.0 113.6 -175.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1956 ' ' ASP . . . . . . . . . . . . . 35.2 t70 . . . . . 0 C--O 1.251 1.155 0 C-N-CA 124.723 1.209 . . . . 10.0 113.73 175.296 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.606 0 N-CA-C 111.011 -0.836 . . . . 10.0 111.011 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' -3' ' ' ALA . . . . . . . . . . . . . . . -66.43 162.85 19.61 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 123.598 0.759 . . . . 10.0 112.699 176.503 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 78.1 mtm -134.23 163.07 30.44 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 126.41 1.884 . . . . 10.0 111.465 179.539 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -1' ' ' VAL . . . . . . . . . . . . . 2.9 t 64.35 -0.45 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.388 0 C-N-CA 126.13 1.772 . . . . 10.0 114.372 -176.374 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1863 ' ' VAL . . . . . . . . . . . . . 22.6 m -59.51 -16.57 10.72 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.282 0 O-C-N 119.645 -1.909 . . . . 10.0 116.092 -176.592 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1864 ' ' ASN . . . . . . . . . . . . . 36.4 m120 -106.16 8.99 32.36 Favored 'General case' 0 CA--C 1.555 1.141 0 C-N-CA 124.934 1.294 . . . . 10.0 113.671 179.598 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1865 ' ' CYS . . . . . . . . . . . . . 36.6 t -64.59 100.39 0.38 Allowed 'General case' 0 CA--C 1.55 0.969 0 O-C-N 121.093 -1.004 . . . . 10.0 112.331 -176.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1866 ' ' GLY . . . . . . . . . . . . . . . 78.31 -19.36 4.7 Favored Glycine 0 CA--C 1.543 1.799 0 C-N-CA 126.875 2.179 . . . . 10.0 117.592 171.513 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1867 ' ' HIS . . . . . . . . . . . . . 21.7 t-80 -75.88 141.14 42.45 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 119.451 1.625 . . . . 10.0 112.583 -176.597 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1868 ' ' VAL . . . . . 0.438 HG11 ' HA ' ' A' 1890 ' ' THR . 10.8 m -77.72 159.72 4.85 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 124.522 1.129 . . . . 10.0 109.964 176.082 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1869 ' ' THR . . . . . . . . . . . . . 63.2 p -141.71 169.22 18.01 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 120.221 -1.55 . . . . 10.0 110.511 -172.117 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1870 ' ' ALA . . . . . . . . . . . . . . . -126.17 137.29 53.55 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.875 1.67 . . . . 10.0 109.517 179.704 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1871 ' ' TYR . . . . . . . . . . . . . 14.5 p90 -156.16 152.18 27.57 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.698 1.199 . . . . 10.0 112.058 -179.081 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1872 ' ' GLY . . . . . . . . . . . . . . . 144.5 175.41 17.62 Favored Glycine 0 N--CA 1.475 1.253 0 O-C-N 120.69 -1.256 . . . . 10.0 112.719 176.094 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1873 ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -64.66 -34.08 52.63 Favored 'Trans proline' 0 CA--C 1.532 0.405 0 C-N-CA 123.82 3.013 . . . . 10.0 113.149 -174.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1874 ' ' GLY . . . . . . . . . . . . . . . -67.12 -7.75 46.01 Favored Glycine 0 CA--C 1.531 1.046 0 C-N-CA 125.724 1.631 . . . . 10.0 116.121 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1875 ' ' LEU . . . . . . . . . . . . . 24.2 mt -95.19 -3.8 47.1 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 118.827 1.314 . . . . 10.0 112.768 169.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1876 ' ' THR . . . . . . . . . . . . . 69.9 m -121.99 -48.72 2.11 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 126.195 1.798 . . . . 10.0 111.432 -170.187 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1877 ' ' HIS . . . . . . . . . . . . . 14.8 p80 -142.92 -179.44 6.36 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 126.417 1.887 . . . . 10.0 111.461 178.098 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1878 ' ' GLY . . . . . . . . . . . . . . . -168.1 176.94 42.49 Favored Glycine 0 N--CA 1.472 1.033 0 C-N-CA 124.636 1.112 . . . . 10.0 114.078 176.464 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1879 ' ' VAL . . . . . . . . . . . . . 12.6 p -134.82 145.45 32.36 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.799 0 C-N-CA 125.453 1.501 . . . . 10.0 110.508 171.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1880 ' ' VAL . . . . . . . . . . . . . 65.6 t -85.55 146.76 6.11 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 C-N-CA 125.296 1.439 . . . . 10.0 113.522 -171.486 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1881 ' ' ASN . . . . . . . . . . . . . 77.0 m-20 54.58 18.05 1.88 Allowed 'General case' 0 CA--C 1.557 1.246 0 C-N-CA 127.727 2.411 . . . . 10.0 114.654 -177.348 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1882 ' ' LYS . . . . . 0.433 ' HA ' ' HD3' ' A' 1883 ' ' PRO . 37.3 tptt -137.54 145.21 48.16 Favored Pre-proline 0 N--CA 1.475 0.82 0 C-N-CA 127.517 2.327 . . . . 10.0 110.359 171.527 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1883 ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' 1882 ' ' LYS . 51.2 Cg_exo -58.31 141.76 97.08 Favored 'Trans proline' 0 N--CA 1.459 -0.529 0 C-N-CA 124.66 3.573 . . . . 10.0 114.229 -175.134 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1884 ' ' ALA . . . . . . . . . . . . . . . -128.61 156.17 43.81 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 125.836 1.654 . . . . 10.0 110.976 172.141 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1885 ' ' THR . . . . . . . . . . . . . 28.3 p -151.71 162.91 40.22 Favored 'General case' 0 N--CA 1.469 0.525 0 N-CA-C 114.56 1.319 . . . . 10.0 114.56 -169.211 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1886 ' ' PHE . . . . . . . . . . . . . 43.7 p90 -148.57 178.77 8.34 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.26 1.424 . . . . 10.0 110.514 168.382 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1887 ' ' THR . . . . . . . . . . . . . 92.5 m -125.59 137.29 53.9 Favored 'General case' 0 N--CA 1.463 0.223 0 C-N-CA 124.605 1.162 . . . . 10.0 111.402 -173.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1888 ' ' VAL . . . . . 0.458 ' CG2' ' HB3' ' A' 1920 ' ' CYS . 5.9 m -125.41 146.33 31.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 C-N-CA 125.351 1.46 . . . . 10.0 107.875 165.603 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1889 ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -126.77 88.56 2.84 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 125.198 1.399 . . . . 10.0 108.245 -177.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1890 ' ' THR . . . . . 0.438 ' HA ' HG11 ' A' 1868 ' ' VAL . 44.8 p -104.69 74.19 1.13 Allowed 'General case' 0 C--O 1.241 0.649 0 N-CA-C 113.811 1.041 . . . . 10.0 113.811 -166.693 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1891 ' ' LYS . . . . . . . . . . . . . 51.1 mtpt -107.49 -72.25 0.73 Allowed 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 125.158 1.383 . . . . 10.0 112.288 -175.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 19.8 t70 -64.72 -19.82 65.98 Favored 'General case' 0 N--CA 1.485 1.29 0 N-CA-C 116.059 1.874 . . . . 10.0 116.059 -169.218 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1893 ' ' ALA . . . . . . . . . . . . . . . -65.41 -8.14 17.4 Favored 'General case' 0 CA--C 1.555 1.148 0 N-CA-C 114.652 1.353 . . . . 10.0 114.652 169.74 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . 106.74 35.33 2.83 Favored Glycine 0 CA--C 1.537 1.45 0 C-N-CA 124.95 1.262 . . . . 10.0 112.823 178.726 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1895 ' ' GLU . . . . . . . . . . . . 0.301 5.7 pt-20 49.14 19.29 0.29 Allowed 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 129.948 3.299 . . . . 10.0 117.463 172.78 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1896 ' ' GLY . . . . . . . . . . . . . . . 171.71 164.73 27.81 Favored Glycine 0 CA--C 1.522 0.527 0 C-N-CA 125.664 1.602 . . . . 10.0 114.323 171.535 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1897 ' ' GLY . . . . . . . . . . . . . . . 127.39 16.76 2.27 Favored Glycine 0 N--CA 1.478 1.45 0 C-N-CA 125.147 1.356 . . . . 10.0 116.007 -179.098 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1898 ' ' LEU . . . . . 0.406 ' HB3' ' CE2' ' A' 1938 ' ' TYR . 0.0 OUTLIER -116.92 161.47 19.29 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 126.405 1.882 . . . . 10.0 114.408 -168.922 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A 1899 ' ' SER . . . . . . . . . . . . . 20.3 t -158.16 155.74 29.63 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.633 1.573 . . . . 10.0 110.574 173.549 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1900 ' ' LEU . . . . . . . . . . . . . 4.1 pp -146.9 170.59 16.75 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 114.257 1.206 . . . . 10.0 114.257 173.776 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1901 ' ' ALA . . . . . . . . . . . . . . . -149.15 166.49 28.65 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.577 1.551 . . . . 10.0 111.994 170.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1902 ' ' ILE . . . . . . . . . . . . . 1.5 mp -120.09 131.42 72.5 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 124.087 0.955 . . . . 10.0 109.617 174.634 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1903 ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -110.49 173.64 6.23 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 127.448 2.299 . . . . 10.0 110.327 170.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1904 ' ' GLY . . . . . . . . . . . . . . . 157.28 -167.08 33.86 Favored Glycine 0 N--CA 1.481 1.641 0 C-N-CA 124.78 1.181 . . . . 10.0 112.889 -175.059 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1905 ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -72.16 -17.56 27.84 Favored 'Trans proline' 0 CA--C 1.537 0.657 0 C-N-CA 122.685 2.257 . . . . 10.0 112.396 172.015 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1906 ' ' SER . . . . . . . . . . . . . 19.1 t -146.96 179.07 7.86 Favored 'General case' 0 C--O 1.245 0.859 0 C-N-CA 129.699 3.2 . . . . 10.0 107.73 -167.165 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1907 ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -122.65 166.19 15.29 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.263 1.025 . . . . 10.0 113.262 -173.797 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1908 ' ' ALA . . . . . . . . . . . . . . . -146.94 -179.27 6.69 Favored 'General case' 0 CA--C 1.56 1.333 0 C-N-CA 127.156 2.182 . . . . 10.0 110.754 178.304 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1909 ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -123.8 122.12 37.22 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.683 1.193 . . . . 10.0 110.91 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1910 ' ' ILE . . . . . . . . . . . . . 1.6 mp -71.02 120.91 19.83 Favored 'Isoleucine or valine' 0 C--O 1.24 0.589 0 C-N-CA 125.814 1.646 . . . . 10.0 110.279 -178.109 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1911 ' ' SER . . . . . . . . . . . . . 58.1 m -129.16 88.06 2.65 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.799 1.24 . . . . 10.0 111.419 179.038 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1912 ' ' CYS . . . . . . . . . . . . . 25.0 p -63.71 155.13 30.98 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.748 1.619 . . . . 10.0 114.338 174.056 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1913 ' ' THR . . . . . . . . . . . . . 4.2 m -131.79 84.53 2.17 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 125.012 1.325 . . . . 10.0 110.564 178.39 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1914 ' ' ASP . . . . . . . . . . . . . 21.9 t70 -72.7 98.36 2.36 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 126.549 1.94 . . . . 10.0 111.506 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1915 ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -105.19 159.24 16.02 Favored 'General case' 0 C--O 1.242 0.686 0 C-N-CA 124.734 1.213 . . . . 10.0 110.663 178.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1916 ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -64.01 -16.72 62.28 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 125.506 1.522 . . . . 10.0 114.667 -174.092 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1917 ' ' ASP . . . . . . . . . . . . . 33.6 t70 -79.59 -13.91 59.19 Favored 'General case' 0 CA--C 1.555 1.159 0 C-N-CA 125.606 1.562 . . . . 10.0 112.603 178.581 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1918 ' ' GLY . . . . . . . . . . . . . . . 109.4 8.67 26.61 Favored Glycine 0 CA--C 1.535 1.311 0 C-N-CA 125.197 1.379 . . . . 10.0 114.608 174.389 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1919 ' ' THR . . . . . . . . . . . . . 68.4 p -83.66 152.53 24.72 Favored 'General case' 0 N--CA 1.478 0.931 0 O-C-N 120.754 -1.439 . . . . 10.0 112.493 176.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1920 ' ' CYS . . . . . 0.458 ' HB3' ' CG2' ' A' 1888 ' ' VAL . 0.5 OUTLIER -112.85 -4.79 13.92 Favored 'General case' 0 CA--C 1.556 1.184 0 N-CA-C 114.433 1.271 . . . . 10.0 114.433 172.418 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A 1921 ' ' SER . . . . . . . . . . . . . 74.7 m 13.63 86.2 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 131.269 3.828 . . . . 10.0 116.511 172.268 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1922 ' ' VAL . . . . . . . . . . . . . 55.3 t -80.87 121.84 35.05 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 C-N-CA 124.889 1.276 . . . . 10.0 112.245 -178.648 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1923 ' ' SER . . . . . . . . . . . . . 39.3 m -95.99 154.07 17.43 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 126.22 1.808 . . . . 10.0 109.279 168.188 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1924 ' ' TYR . . . . . . . . . . . . . 11.8 p90 -149.17 175.43 11.38 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 127.426 2.291 . . . . 10.0 109.999 171.677 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1925 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -152.45 85.08 4.59 Favored Pre-proline 0 CA--C 1.556 1.178 0 O-C-N 119.837 -1.789 . . . . 10.0 110.868 -170.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1926 ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -71.68 121.82 8.01 Favored 'Trans proline' 0 CA--C 1.539 0.77 0 C-N-CA 124.039 3.159 . . . . 10.0 111.723 -170.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1927 ' ' VAL . . . . . . . . . . . . . 27.5 m -78.39 -17.73 13.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 N-CA-C 114.406 1.261 . . . . 10.0 114.406 -178.257 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1928 ' ' LEU . . . . . . . . . . . . . 17.7 mt -138.95 160.33 63.27 Favored Pre-proline 0 CA--C 1.551 0.985 0 C-N-CA 127.093 2.157 . . . . 10.0 111.352 171.386 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1929 ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -72.01 164.16 36.52 Favored 'Trans proline' 0 CA--C 1.534 0.501 0 C-N-CA 123.893 3.062 . . . . 10.0 111.608 176.693 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1930 ' ' GLY . . . . . . . . . . . . . . . 159.35 179.11 33.94 Favored Glycine 0 C--N 1.346 1.093 0 N-CA-C 115.713 1.045 . . . . 10.0 115.713 173.113 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1931 ' ' ASP . . . . . . . . . . . . . 15.4 p-10 -88.48 74.34 8.56 Favored 'General case' 0 C--O 1.242 0.679 0 C-N-CA 126.679 1.992 . . . . 10.0 109.937 169.492 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1932 ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -67.27 153.98 42.38 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 121.593 -0.692 . . . . 10.0 111.156 172.223 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1933 ' ' SER . . . . . . . . . . . . . 23.2 t -130.58 130.68 44.35 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 125.689 1.596 . . . . 10.0 109.872 -177.104 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1934 ' ' ILE . . . . . . . . . . . . . 5.7 mm -102.55 108.97 25.27 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 C-N-CA 124.627 1.171 . . . . 10.0 110.197 -174.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1935 ' ' LEU . . . . . . . . . . . . . 3.8 mm? -96.3 99.57 11.26 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 126.03 1.732 . . . . 10.0 110.46 -178.482 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1936 ' ' VAL . . . . . . . . . . . . . 21.0 t -111.82 134.69 53.46 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.376 0 C-N-CA 124.212 1.005 . . . . 10.0 110.884 -175.115 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1937 ' ' LYS . . . . . . . . . . . . . 94.0 mttt -128.63 154.74 45.94 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 126.303 1.841 . . . . 10.0 113.974 176.092 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1938 ' ' TYR . . . . . 0.406 ' CE2' ' HB3' ' A' 1898 ' ' LEU . 1.0 OUTLIER -135.9 125.3 24.92 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.485 1.514 . . . . 10.0 107.624 168.113 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A 1939 ' ' ASN . . . . . . . . . . . . . 52.7 t30 41.41 59.14 2.47 Favored 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 127.266 2.227 . . . . 10.0 113.817 -171.094 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1940 ' ' GLU . . . . . . . . . . . . . 7.0 tp10 66.51 -3.66 0.83 Allowed 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 128.258 2.623 . . . . 10.0 116.327 177.578 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1941 ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -110.42 141.28 43.72 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 125.031 1.332 . . . . 10.0 111.75 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1942 ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -67.06 150.75 48.77 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-N 119.772 1.169 . . . . 10.0 113.843 -176.561 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1943 ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -72.62 166.08 45.72 Favored Pre-proline 0 N--CA 1.477 0.908 0 C-N-CA 125.57 1.548 . . . . 10.0 113.55 -175.792 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1944 ' ' PRO . . . . . . . . . . . . . 44.5 Cg_exo -58.63 109.46 0.52 Allowed 'Trans proline' 0 CA--C 1.549 1.24 0 C-N-CA 125.206 3.938 . . . . 10.0 113.052 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1945 ' ' GLY . . . . . . . . . . . . . . . 86.56 2.14 85.09 Favored Glycine 0 CA--C 1.544 1.874 0 N-CA-C 115.814 1.086 . . . . 10.0 115.814 -178.648 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1946 ' ' SER . . . . . . . . . . . . . 2.8 m -67.04 153.54 94.34 Favored Pre-proline 0 N--CA 1.478 0.958 0 CA-C-N 119.636 1.718 . . . . 10.0 112.82 174.411 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1947 ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -75.17 161.51 94.59 Favored 'Cis proline' 0 C--N 1.362 1.247 0 N-CA-C 113.721 0.624 . . . . 10.0 113.721 -10.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1948 ' ' PHE . . . . . . . . . . . . . 78.9 m-85 -100.01 169.1 9.42 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 125.626 1.57 . . . . 10.0 111.87 172.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1949 ' ' THR . . . . . . . . . . . . . 29.9 m -141.41 111.02 6.46 Favored 'General case' 0 N--CA 1.488 1.455 0 CA-C-N 119.83 1.196 . . . . 10.0 112.406 -173.156 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1950 ' ' ALA . . . . . . . . . . . . . . . -106.92 129.81 54.68 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.325 1.45 . . . . 10.0 111.781 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1951 ' ' ARG . . . . . . . . . . . . . 29.1 ptt180 -98.49 22.46 9.78 Favored 'General case' 0 N--CA 1.493 1.706 0 N-CA-C 116.504 2.039 . . . . 10.0 116.504 -168.41 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1952 ' ' VAL . . . . . . . . . . . . . 17.3 t -8.43 104.07 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 131.458 3.903 . . . . 10.0 114.767 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1953 ' ' THR . . . . . . . . . . . . . 25.6 m -82.74 132.28 35.18 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.276 1.431 . . . . 10.0 111.971 -178.031 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1954 ' ' GLY . . . . . . . . . . . . . . . -88.71 160.21 29.92 Favored Glycine 0 N--CA 1.467 0.756 0 C-N-CA 124.491 1.043 . . . . 10.0 112.55 177.17 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1955 ' ' ASP . . . . . . . . . . . . . 32.5 t70 -144.27 -46.3 0.26 Allowed 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 124.302 1.041 . . . . 10.0 113.517 179.107 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1956 ' ' ASP . . . . . . . . . . . . . 34.4 t70 . . . . . 0 C--O 1.257 1.496 0 C-N-CA 125.208 1.403 . . . . 10.0 114.19 175.081 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.784 0 N-CA-C 112.005 -0.438 . . . . 10.0 112.005 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' -3' ' ' ALA . . . . . . . . . . . . . . . -75.34 171.19 14.65 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 124.784 1.234 . . . . 10.0 112.948 179.731 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -62.64 -9.25 8.36 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 125.354 1.462 . . . . 10.0 114.538 -177.545 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -1' ' ' VAL . . . . . . . . . . . . . 7.6 p -58.64 -18.07 11.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 124.891 1.276 . . . . 10.0 112.738 169.677 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1863 ' ' VAL . . . . . . . . . . . . . 9.5 p -61.29 -16.8 15.2 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 C-N-CA 125.724 1.61 . . . . 10.0 114.285 171.57 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1864 ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -129.55 172.54 11.46 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 125.551 1.541 . . . . 10.0 113.617 -178.443 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1865 ' ' CYS . . . . . . . . . . . . . 60.4 m 48.93 -141.27 0.64 Allowed 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 126.99 2.116 . . . . 10.0 112.964 -174.559 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1866 ' ' GLY . . . . . . . . . . . . . . . 106.46 -7.98 40.28 Favored Glycine 0 N--CA 1.481 1.665 0 C-N-CA 124.828 1.204 . . . . 10.0 116.09 174.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1867 ' ' HIS . . . . . . . . . . . . . 50.3 t-80 -64.27 160.76 17.99 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.302 1.441 . . . . 10.0 112.202 172.736 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1868 ' ' VAL . . . . . . . . . . . . . 8.6 p -62.28 153.15 6.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 123.053 0.541 . . . . 10.0 111.628 170.334 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1869 ' ' THR . . . . . . . . . . . . . 82.8 p -134.59 175.23 9.72 Favored 'General case' 0 N--CA 1.488 1.47 0 C-N-CA 124.594 1.158 . . . . 10.0 110.088 173.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1870 ' ' ALA . . . . . . . . . . . . . . . -137.52 120.52 16.58 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.334 1.054 . . . . 10.0 109.353 169.803 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1871 ' ' TYR . . . . . . . . . . . . . 53.4 p90 -147.11 160.11 42.81 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 125.022 1.329 . . . . 10.0 112.672 -177.344 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1872 ' ' GLY . . . . . . . . . . . . . . . 137.28 176.79 14.6 Favored Glycine 0 CA--C 1.538 1.481 0 C-N-CA 124.596 1.093 . . . . 10.0 114.08 -178.18 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1873 ' ' PRO . . . . . . . . . . . . . 76.8 Cg_endo -68.13 -30.6 31.3 Favored 'Trans proline' 0 N--CA 1.451 -1.005 0 C-N-CA 123.235 2.624 . . . . 10.0 113.408 179.105 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1874 ' ' GLY . . . . . . . . . . . . . . . -65.45 -9.49 43.9 Favored Glycine 0 CA--C 1.54 1.631 0 N-CA-C 115.929 1.131 . . . . 10.0 115.929 -177.145 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1875 ' ' LEU . . . . . . . . . . . . . 43.4 mt -94.09 -8.28 40.11 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-N 119.56 1.68 . . . . 10.0 113.947 171.615 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1876 ' ' THR . . . . . . . . . . . . . 35.7 m -120.04 -37.53 3.07 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 125.491 1.516 . . . . 10.0 111.636 -174.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1877 ' ' HIS . . . . . . . . . . . . . 57.3 m80 -128.77 173.44 10.34 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 127.979 2.512 . . . . 10.0 111.036 174.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1878 ' ' GLY . . . . . . . . . . . . . . . -152.56 168.65 31.63 Favored Glycine 0 N--CA 1.472 1.055 0 C-N-CA 126.308 1.908 . . . . 10.0 112.32 174.34 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1879 ' ' VAL . . . . . . . . . . . . . 3.4 t -131.48 115.55 28.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 CA-C-N 118.515 1.158 . . . . 10.0 110.634 178.344 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1880 ' ' VAL . . . . . 0.429 HG23 HG12 ' A' 1952 ' ' VAL . 76.5 t -63.09 126.92 22.41 Favored 'Isoleucine or valine' 0 C--O 1.236 0.367 0 C-N-CA 124.79 1.236 . . . . 10.0 110.817 -177.749 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1881 ' ' ASN . . . . . . . . . . . . . 75.1 m-20 55.45 22.57 5.14 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 128.002 2.521 . . . . 10.0 114.871 -176.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1882 ' ' LYS . . . . . 0.412 ' HA ' ' HD3' ' A' 1883 ' ' PRO . 0.0 OUTLIER -131.62 128.28 21.74 Favored Pre-proline 0 N--CA 1.486 1.333 0 C-N-CA 125.164 1.385 . . . . 10.0 110.665 169.021 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A 1883 ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' 1882 ' ' LYS . 35.7 Cg_exo -56.46 118.89 5.78 Favored 'Trans proline' 0 C--N 1.357 1.008 0 C-N-CA 123.241 2.627 . . . . 10.0 111.072 -172.172 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1884 ' ' ALA . . . . . . . . . . . . . . . -102.44 156.99 17.23 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.541 1.536 . . . . 10.0 111.286 177.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1885 ' ' THR . . . . . . . . . . . . . 71.3 p -147.95 162.07 40.05 Favored 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 114.513 1.301 . . . . 10.0 114.513 -169.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1886 ' ' PHE . . . . . . . . . . . . . 53.2 p90 -152.37 157.07 40.77 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 127.262 2.225 . . . . 10.0 110.809 167.372 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1887 ' ' THR . . . . . . . . . . . . . 47.1 m -92.94 138.02 31.85 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.705 1.602 . . . . 10.0 110.753 -177.036 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1888 ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -135.65 61.36 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 C-N-CA 128.933 2.893 . . . . 10.0 108.805 -177.531 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1889 ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -62.74 88.99 0.03 OUTLIER 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 130.012 3.325 . . . . 10.0 111.678 -176.141 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1890 ' ' THR . . . . . . . . . . . . . 5.6 p -70.56 54.16 0.15 Allowed 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 130.665 3.586 . . . . 10.0 112.584 170.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1891 ' ' LYS . . . . . . . . . . . . . 1.8 ptmt -48.51 -57.79 5.63 Favored 'General case' 0 N--CA 1.485 1.308 0 N-CA-C 116.951 2.204 . . . . 10.0 116.951 -178.473 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 33.7 t70 -129.47 11.21 5.79 Favored 'General case' 0 CA--C 1.562 1.433 0 C-N-CA 126.336 1.854 . . . . 10.0 111.63 175.64 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1893 ' ' ALA . . . . . . . . . . . . . . . -58.08 -49.74 75.89 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 128.349 2.659 . . . . 10.0 114.593 -170.216 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . 143.41 -175.24 23.54 Favored Glycine 0 N--CA 1.477 1.393 0 C-N-CA 125.125 1.345 . . . . 10.0 111.847 -171.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1895 ' ' GLU . . . . . . . . . . . . . 4.1 pm0 -69.16 -10.12 56.14 Favored 'General case' 0 CA--C 1.56 1.338 0 N-CA-C 116.483 2.031 . . . . 10.0 116.483 -175.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1896 ' ' GLY . . . . . . . . . . . . . . . 143.57 -174.53 24.01 Favored Glycine 0 CA--C 1.534 1.231 0 C-N-CA 125.897 1.713 . . . . 10.0 113.022 -177.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1897 ' ' GLY . . . . . . . . . . . . . . . 131.5 -3.07 5.41 Favored Glycine 0 C--N 1.352 1.43 0 C-N-CA 125.503 1.525 . . . . 10.0 115.057 176.25 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1898 ' ' LEU . . . . . . . . . . . . . 2.5 tm? -55.08 118.01 3.96 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.522 1.529 . . . . 10.0 111.196 173.783 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1899 ' ' SER . . . . . . . . . . . . . 19.5 t -131.26 144.02 50.99 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 126.543 1.937 . . . . 10.0 110.576 -178.544 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1900 ' ' LEU . . . . . . . . . . . . . 82.0 mt -129.64 155.32 46.05 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 125.565 1.546 . . . . 10.0 113.286 -172.208 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1901 ' ' ALA . . . . . . . . . . . . . . . -144.23 111.6 5.97 Favored 'General case' 0 N--CA 1.444 -0.761 0 C-N-CA 125.98 1.712 . . . . 10.0 108.608 166.457 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1902 ' ' ILE . . . . . . . . . . . . . 1.9 mp -97.17 137.03 25.95 Favored 'Isoleucine or valine' 0 C--O 1.243 0.721 0 O-C-N 121.073 -1.017 . . . . 10.0 109.277 173.639 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1903 ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 -126.61 173.66 9.28 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 126.53 1.932 . . . . 10.0 111.115 176.293 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1904 ' ' GLY . . . . . . . . . . . . . . . 156.88 -164.95 32.96 Favored Glycine 0 N--CA 1.479 1.52 0 C-N-CA 123.818 0.723 . . . . 10.0 112.02 -176.233 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1905 ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -71.05 -18.21 31.16 Favored 'Trans proline' 0 CA--C 1.545 1.058 0 C-N-CA 122.704 2.27 . . . . 10.0 112.081 169.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1906 ' ' SER . . . . . . . . . . . . . 17.6 t -147.53 -174.9 4.66 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 128.279 2.632 . . . . 10.0 109.128 -168.725 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1907 ' ' LYS . . . . . . . . . . . . . 98.7 mttt -123.3 165.42 17.0 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 124.973 1.309 . . . . 10.0 113.718 -168.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1908 ' ' ALA . . . . . . . . . . . . . . . -139.62 137.57 35.41 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.157 1.383 . . . . 10.0 113.094 178.758 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1909 ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -63.25 153.91 33.17 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 123.617 0.767 . . . . 10.0 110.605 167.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1910 ' ' ILE . . . . . . . . . . . . . 25.3 mm -125.07 126.84 71.75 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.732 0 C-N-CA 125.256 1.422 . . . . 10.0 110.481 -177.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1911 ' ' SER . . . . . . . . . . . . . 56.4 m -135.43 157.23 47.41 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 127.621 2.368 . . . . 10.0 110.898 172.673 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1912 ' ' CYS . . . . . . . . . . . . . 26.3 p -157.05 166.51 33.12 Favored 'General case' 0 C--N 1.349 0.55 0 C-N-CA 125.374 1.469 . . . . 10.0 112.669 179.006 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1913 ' ' THR . . . . . . . . . . . . . 85.0 m -103.64 94.32 5.39 Favored 'General case' 0 N--CA 1.476 0.843 0 O-C-N 120.66 -1.275 . . . . 10.0 109.372 171.001 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1914 ' ' ASP . . . . . . . . . . . . . 30.8 t70 -59.11 -29.1 67.12 Favored 'General case' 0 C--O 1.246 0.871 0 C-N-CA 125.646 1.579 . . . . 10.0 113.641 -174.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1915 ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -65.68 108.78 2.19 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 125.613 1.565 . . . . 10.0 110.509 171.027 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1916 ' ' GLN . . . . . . . . . . . . . 10.7 tm0? -68.1 70.8 0.16 Allowed 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 126.443 1.897 . . . . 10.0 112.09 174.179 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1917 ' ' ASP . . . . . . . . . . . . . 33.5 t70 -86.28 5.31 35.08 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 127.483 2.313 . . . . 10.0 112.705 176.399 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1918 ' ' GLY . . . . . . . . . . . . . . . 133.09 -18.57 4.46 Favored Glycine 0 CA--C 1.533 1.182 0 C-N-CA 127.596 2.522 . . . . 10.0 113.642 -176.692 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1919 ' ' THR . . . . . . . . . . . . . 2.4 t -156.51 152.43 27.34 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.172 1.389 . . . . 10.0 111.436 175.337 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1920 ' ' CYS . . . . . . . . . . . . . 7.3 t -81.11 0.4 36.33 Favored 'General case' 0 CA--C 1.558 1.27 0 C-N-CA 125.358 1.463 . . . . 10.0 114.024 174.44 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1921 ' ' SER . . . . . . . . . . . . . 5.7 t 28.06 75.04 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 131.149 3.779 . . . . 10.0 115.188 175.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1922 ' ' VAL . . . . . . . . . . . . . 24.8 t -71.52 133.95 30.87 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.205 0 C-N-CA 125.026 1.33 . . . . 10.0 111.496 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1923 ' ' SER . . . . . . . . . . . . . 67.8 m -126.01 139.3 53.53 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 127.031 2.132 . . . . 10.0 109.938 168.714 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1924 ' ' TYR . . . . . . . . . . . . . 24.5 p90 -140.32 162.24 35.77 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 124.469 1.108 . . . . 10.0 111.034 176.257 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1925 ' ' LEU . . . . . . . . . . . . . 2.0 tm? -143.57 94.4 6.1 Favored Pre-proline 0 CA--C 1.542 0.635 0 CA-C-O 118.39 -0.814 . . . . 10.0 109.966 -172.587 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1926 ' ' PRO . . . . . . . . . . . . . 50.7 Cg_endo -75.21 155.72 42.01 Favored 'Trans proline' 0 CA--C 1.54 0.801 0 C-N-CA 123.54 2.827 . . . . 10.0 110.702 175.101 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1927 ' ' VAL . . . . . . . . . . . . . 29.2 m -111.7 -16.06 9.53 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 N-CA-C 115.869 1.803 . . . . 10.0 115.869 -175.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1928 ' ' LEU . . . . . . . . . . . . . 18.9 mt -143.35 159.1 56.37 Favored Pre-proline 0 CA--C 1.543 0.674 0 C-N-CA 126.34 1.856 . . . . 10.0 112.296 170.312 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1929 ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -74.52 164.03 34.79 Favored 'Trans proline' 0 CA--C 1.536 0.579 0 C-N-CA 123.672 2.915 . . . . 10.0 112.128 -177.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1930 ' ' GLY . . . . . . . . . . . . . . . 153.31 -179.85 29.36 Favored Glycine 0 CA--C 1.54 1.598 0 N-CA-C 117.098 1.599 . . . . 10.0 117.098 177.605 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1931 ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -85.23 88.58 7.5 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.395 1.478 . . . . 10.0 109.288 169.106 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1932 ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -82.49 161.65 22.31 Favored 'General case' 0 C--O 1.222 -0.378 0 O-C-N 121.463 -0.773 . . . . 10.0 110.51 173.131 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1933 ' ' SER . . . . . . . . . . . . . 70.4 m -124.31 146.91 48.51 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 125.313 1.445 . . . . 10.0 110.794 174.635 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1934 ' ' ILE . . . . . . . . . . . . . 3.8 mm -119.11 109.77 27.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 C-N-CA 125.602 1.561 . . . . 10.0 109.389 -178.583 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1935 ' ' LEU . . . . . . . . . . . . . 2.0 mm? -98.19 110.02 22.67 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 126.148 1.779 . . . . 10.0 108.081 170.272 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1936 ' ' VAL . . . . . . . . . . . . . 22.7 t -108.16 133.59 52.61 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 C-N-CA 126.013 1.725 . . . . 10.0 110.49 177.46 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1937 ' ' LYS . . . . . . . . . . . . . 99.0 mttt -132.11 154.57 49.34 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 125.048 1.339 . . . . 10.0 111.426 170.422 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1938 ' ' TYR . . . . . . . . . . . . . 45.3 t80 -125.08 -27.23 3.57 Favored 'General case' 0 N--CA 1.486 1.327 0 N-CA-C 117.252 2.316 . . . . 10.0 117.252 174.465 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1939 ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -143.19 50.97 1.39 Allowed 'General case' 0 CA--C 1.558 1.261 0 C-N-CA 126.161 1.785 . . . . 10.0 111.309 -173.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1940 ' ' GLU . . . . . . . . . . . . . 5.8 tp10 58.64 10.56 1.46 Allowed 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 127.084 2.154 . . . . 10.0 113.462 -168.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1941 ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -137.72 147.12 44.5 Favored 'General case' 0 C--O 1.239 0.532 0 C-N-CA 127.611 2.364 . . . . 10.0 110.379 -170.387 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1942 ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -69.87 147.38 50.38 Favored 'General case' 0 C--O 1.241 0.652 0 N-CA-C 114.229 1.196 . . . . 10.0 114.229 -173.768 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1943 ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -69.19 164.83 44.82 Favored Pre-proline 0 C--O 1.242 0.701 0 C-N-CA 126.296 1.838 . . . . 10.0 113.276 175.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1944 ' ' PRO . . . . . . . . . . . . . 49.4 Cg_exo -59.94 115.32 2.54 Favored 'Trans proline' 0 CA--C 1.544 0.993 0 C-N-CA 124.792 3.662 . . . . 10.0 111.583 -176.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1945 ' ' GLY . . . . . . . . . . . . . . . 88.82 -6.01 84.06 Favored Glycine 0 N--CA 1.474 1.221 0 C-N-CA 126.087 1.803 . . . . 10.0 116.529 177.147 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1946 ' ' SER . . . . . . . . . . . . . 15.6 m -63.43 156.87 68.21 Favored Pre-proline 0 CA--C 1.551 0.989 0 CA-C-N 119.652 1.726 . . . . 10.0 114.854 172.076 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1947 ' ' PRO . . . . . . . . . . . . . 80.7 Cg_endo -76.0 172.26 63.99 Favored 'Cis proline' 0 CA--C 1.552 1.402 0 N-CA-C 114.343 0.863 . . . . 10.0 114.343 -7.58 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1948 ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -125.1 166.14 16.94 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 127.015 2.126 . . . . 10.0 111.347 178.716 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1949 ' ' THR . . . . . . . . . . . . . 28.5 m -134.48 101.84 5.11 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 125.354 1.461 . . . . 10.0 109.91 -179.378 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1950 ' ' ALA . . . . . . . . . . . . . . . -90.06 127.72 36.13 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.441 1.496 . . . . 10.0 111.656 -176.339 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1951 ' ' ARG . . . . . . . . . . . . . 40.2 ttm-85 -93.47 87.4 5.55 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 125.243 1.417 . . . . 10.0 113.054 173.699 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1952 ' ' VAL . . . . . 0.429 HG12 HG23 ' A' 1880 ' ' VAL . 2.4 t -63.98 115.32 2.6 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 C-N-CA 129.617 3.167 . . . . 10.0 112.115 171.851 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1953 ' ' THR . . . . . . . . . . . . . 6.2 t -102.26 146.5 27.91 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 124.869 1.268 . . . . 10.0 112.709 -179.665 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1954 ' ' GLY . . . . . . . . . . . . . . . -69.07 168.8 44.11 Favored Glycine 0 CA--C 1.534 1.247 0 N-CA-C 114.678 0.631 . . . . 10.0 114.678 -175.174 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1955 ' ' ASP . . . . . . . . . . . . . 38.8 t70 -154.83 -46.98 0.09 Allowed 'General case' 0 CA--C 1.555 1.139 0 C-N-CA 125.316 1.446 . . . . 10.0 112.11 174.484 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1956 ' ' ASP . . . . . . . . . . . . . 34.0 t70 . . . . . 0 N--CA 1.492 1.651 0 C-N-CA 125.503 1.521 . . . . 10.0 113.185 -179.095 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.345 0 N-CA-C 111.547 -0.621 . . . . 10.0 111.547 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' -3' ' ' ALA . . . . . . . . . . . . . . . -146.3 -172.86 4.04 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 126.075 1.75 . . . . 10.0 111.63 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 57.8 mtt 62.36 23.92 14.21 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 125.289 1.435 . . . . 10.0 114.547 174.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -1' ' ' VAL . . . . . . . . . . . . . 9.1 p -136.04 151.31 28.88 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 125.855 1.662 . . . . 10.0 111.291 -179.674 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1863 ' ' VAL . . . . . . . . . . . . . 57.8 t -68.13 125.25 25.43 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 C-N-CA 125.498 1.519 . . . . 10.0 111.546 -176.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1864 ' ' ASN . . . . . . . . . . . . . 35.5 t30 -69.4 -25.33 64.09 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 115.038 1.495 . . . . 10.0 115.038 -174.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1865 ' ' CYS . . . . . . . . . . . . . 44.8 t -136.97 -72.11 0.44 Allowed 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 125.473 1.509 . . . . 10.0 112.436 176.567 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1866 ' ' GLY . . . . . . . . . . . . . . . 81.16 8.06 87.74 Favored Glycine 0 CA--C 1.541 1.671 0 C-N-CA 125.269 1.414 . . . . 10.0 115.587 176.547 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1867 ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -116.25 176.85 4.91 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 126.531 1.932 . . . . 10.0 111.731 172.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1868 ' ' VAL . . . . . . . . . . . . . 14.7 p -55.5 122.65 5.09 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.679 0 C-N-CA 126.075 1.75 . . . . 10.0 112.043 177.63 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1869 ' ' THR . . . . . . . . . . . . . 26.9 p -144.88 159.38 43.0 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 126.631 1.972 . . . . 10.0 112.889 -173.174 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1870 ' ' ALA . . . . . . . . . . . . . . . -120.15 143.43 48.21 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 128.756 2.822 . . . . 10.0 112.96 173.7 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1871 ' ' TYR . . . . . . . . . . . . . 15.7 p90 -156.79 163.91 38.69 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.458 1.503 . . . . 10.0 113.257 175.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1872 ' ' GLY . . . . . . . . . . . . . . . 124.59 166.71 12.49 Favored Glycine 0 CA--C 1.538 1.477 0 C-N-CA 126.262 1.887 . . . . 10.0 113.782 176.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1873 ' ' PRO . . . . . . . . . . . . . 25.4 Cg_exo -59.53 -37.82 86.58 Favored 'Trans proline' 0 CA--C 1.54 0.812 0 C-N-CA 123.768 2.979 . . . . 10.0 113.898 179.16 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1874 ' ' GLY . . . . . . . . . . . . . . . -57.66 -24.38 52.87 Favored Glycine 0 CA--C 1.531 1.048 0 C-N-CA 126.553 2.025 . . . . 10.0 116.066 -173.307 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1875 ' ' LEU . . . . . . . . . . . . . 24.6 mt -77.66 -12.49 59.97 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.131 1.372 . . . . 10.0 113.853 176.061 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1876 ' ' THR . . . . . . . . . . . . . 89.6 m -124.92 -39.28 2.27 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 126.018 1.727 . . . . 10.0 112.013 -171.573 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1877 ' ' HIS . . . . . . . . . . . . . 52.0 m-70 -132.53 172.49 12.43 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.787 1.635 . . . . 10.0 112.374 174.581 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1878 ' ' GLY . . . . . . . . . . . . . . . -155.11 176.1 32.88 Favored Glycine 0 CA--C 1.544 1.873 0 C-N-CA 124.009 0.814 . . . . 10.0 113.25 178.328 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1879 ' ' VAL . . . . . . . . . . . . . 17.7 t -132.96 112.06 17.71 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 C-N-CA 125.369 1.468 . . . . 10.0 109.603 175.321 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1880 ' ' VAL . . . . . . . . . . . . . 58.7 t -58.71 137.93 20.44 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.617 0 C-N-CA 123.108 0.563 . . . . 10.0 111.105 177.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1881 ' ' ASN . . . . . . . . . . . . . 4.7 m-80 61.31 7.79 1.85 Allowed 'General case' 0 CA--C 1.554 1.125 0 C-N-CA 126.728 2.011 . . . . 10.0 116.125 -176.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1882 ' ' LYS . . . . . 0.452 ' HA ' ' HD3' ' A' 1883 ' ' PRO . 43.6 tptt -121.22 144.08 38.86 Favored Pre-proline 0 N--CA 1.478 0.95 0 CA-C-N 119.72 1.145 . . . . 10.0 110.846 171.227 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1883 ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' A' 1882 ' ' LYS . 51.8 Cg_exo -61.71 116.38 3.4 Favored 'Trans proline' 0 CA--C 1.542 0.898 0 C-N-CA 123.316 2.678 . . . . 10.0 112.975 -171.469 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1884 ' ' ALA . . . . . . . . . . . . . . . -86.36 148.14 25.72 Favored 'General case' 0 CA--C 1.559 1.311 0 C-N-CA 123.966 0.906 . . . . 10.0 111.737 171.353 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1885 ' ' THR . . . . . . . . . . . . . 72.1 p -147.01 166.2 27.56 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.835 0.854 . . . . 10.0 112.104 178.577 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1886 ' ' PHE . . . . . . . . . . . . . 10.4 p90 -148.36 172.51 14.29 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 126.572 1.949 . . . . 10.0 110.289 168.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1887 ' ' THR . . . . . . . . . . . . . 47.2 m -126.79 136.76 52.83 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-O 123.122 1.439 . . . . 10.0 110.468 172.038 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1888 ' ' VAL . . . . . . . . . . . . . 2.0 t -146.42 123.95 3.99 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.094 0 C-N-CA 129.11 2.964 . . . . 10.0 105.189 -167.063 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1889 ' ' ASN . . . . . . . . . . . . . 15.1 t-20 -130.39 119.48 22.78 Favored 'General case' 0 C--O 1.245 0.854 0 O-C-N 123.926 0.766 . . . . 10.0 110.603 -168.013 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1890 ' ' THR . . . . . . . . . . . . . 24.4 p -84.77 60.38 6.12 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 126.318 1.847 . . . . 10.0 114.141 -169.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1891 ' ' LYS . . . . . . . . . . . . . 56.3 mttm -63.65 126.67 28.32 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 125.184 1.394 . . . . 10.0 111.361 176.319 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 21.8 t70 59.32 11.4 2.16 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 126.222 1.809 . . . . 10.0 115.816 179.652 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1893 ' ' ALA . . . . . . . . . . . . . . . -69.79 -12.95 62.02 Favored 'General case' 0 CA--C 1.554 1.132 0 C-N-CA 125.173 1.389 . . . . 10.0 114.23 -179.043 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . 61.46 -97.45 0.14 Allowed Glycine 0 CA--C 1.534 1.278 0 C-N-CA 127.24 2.352 . . . . 10.0 113.889 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1895 ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -77.54 -5.2 49.26 Favored 'General case' 0 N--CA 1.482 1.151 0 O-C-N 120.82 -1.4 . . . . 10.0 114.498 177.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1896 ' ' GLY . . . . . . . . . . . . . . . 79.96 -105.9 2.39 Favored Glycine 0 CA--C 1.525 0.675 0 C-N-CA 126.041 1.782 . . . . 10.0 111.286 178.54 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1897 ' ' GLY . . . . . . . . . . . . . . . 75.33 10.35 84.42 Favored Glycine 0 CA--C 1.539 1.569 0 N-CA-C 116.07 1.188 . . . . 10.0 116.07 177.644 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1898 ' ' LEU . . . . . . . . . . . . . 8.1 tt -68.03 135.61 52.55 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-N 119.525 1.662 . . . . 10.0 111.528 173.096 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1899 ' ' SER . . . . . . . . . . . . . 8.2 t -127.96 165.81 19.54 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.929 1.692 . . . . 10.0 110.26 169.138 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1900 ' ' LEU . . . . . 0.42 HD21 HG21 ' A' 1922 ' ' VAL . 1.0 OUTLIER -154.99 173.46 16.54 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 113.975 1.102 . . . . 10.0 113.975 172.338 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A 1901 ' ' ALA . . . . . . . . . . . . . . . -145.66 169.32 18.7 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.312 1.445 . . . . 10.0 111.482 168.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1902 ' ' ILE . . . . . . . . . . . . . 2.0 mp -125.52 129.38 72.84 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 126.511 1.924 . . . . 10.0 108.574 170.239 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1903 ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -127.97 177.09 7.11 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 126.489 1.916 . . . . 10.0 110.669 176.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1904 ' ' GLY . . . . . . . . . . . . . . . 154.61 -129.63 2.64 Favored Glycine 0 CA--C 1.53 0.983 0 C-N-CA 125.994 1.759 . . . . 10.0 111.257 174.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1905 ' ' PRO . . . . . . . . . . . . . 26.3 Cg_endo -76.27 -12.57 19.07 Favored 'Trans proline' 0 CA--C 1.544 1.02 0 C-N-CA 123.623 2.882 . . . . 10.0 112.993 170.138 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1906 ' ' SER . . . . . . . . . . . . . 16.1 t -156.81 176.79 12.27 Favored 'General case' 0 C--O 1.242 0.669 0 C-N-CA 128.107 2.563 . . . . 10.0 110.034 -166.726 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1907 ' ' LYS . . . . . . . . . . . . . 58.8 mttp -130.68 107.81 9.44 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 126.312 1.845 . . . . 10.0 110.208 177.114 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1908 ' ' ALA . . . . . . . . . . . . . . . -64.43 155.24 33.23 Favored 'General case' 0 CA--C 1.554 1.127 0 C-N-CA 124.355 1.062 . . . . 10.0 112.031 173.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1909 ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -77.84 97.98 5.43 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 124.142 0.977 . . . . 10.0 110.808 174.066 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1910 ' ' ILE . . . . . . . . . . . . . 22.2 mt -76.16 130.46 36.2 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.023 0 C-N-CA 124.939 1.296 . . . . 10.0 110.98 -178.147 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1911 ' ' SER . . . . . . . . . . . . . 26.5 m -131.35 155.12 47.79 Favored 'General case' 0 N--CA 1.466 0.375 0 C-N-CA 127.81 2.444 . . . . 10.0 111.522 173.58 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1912 ' ' CYS . . . . . . . . . . . . . 27.9 p -152.41 171.81 17.47 Favored 'General case' 0 CA--C 1.555 1.158 0 C-N-CA 124.581 1.153 . . . . 10.0 111.78 173.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1913 ' ' THR . . . . . . . . . . . . . 52.8 m -134.97 134.02 40.1 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 125.016 1.326 . . . . 10.0 109.544 177.014 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1914 ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -72.63 40.04 0.08 Allowed 'General case' 0 CA--C 1.558 1.275 0 C-N-CA 129.082 2.953 . . . . 10.0 114.489 -178.203 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1915 ' ' ASN . . . . . . . . . . . . . 58.4 t30 -61.71 117.37 5.72 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 125.641 1.576 . . . . 10.0 111.922 -177.488 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1916 ' ' GLN . . . . . . . . . . . . . 69.3 mm-40 -68.56 4.39 1.42 Allowed 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 125.469 1.507 . . . . 10.0 114.363 178.496 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1917 ' ' ASP . . . . . . . . . . . . . 15.9 t70 -75.18 -6.1 47.9 Favored 'General case' 0 C--O 1.245 0.834 0 CA-C-N 119.833 1.197 . . . . 10.0 112.452 168.18 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1918 ' ' GLY . . . . . . . . . . . . . . . 96.22 -2.02 63.08 Favored Glycine 0 CA--C 1.54 1.648 0 C-N-CA 125.583 1.563 . . . . 10.0 114.552 179.188 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1919 ' ' THR . . . . . . . . . . . . . 35.9 p -79.31 128.78 33.75 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 121.246 -1.149 . . . . 10.0 112.16 179.023 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1920 ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -94.5 75.9 3.83 Favored 'General case' 0 C--O 1.237 0.417 0 N-CA-C 107.091 -1.448 . . . . 10.0 107.091 168.674 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1921 ' ' SER . . . . . . . . . . . . . 40.4 m -69.73 69.11 0.28 Allowed 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 126.611 1.965 . . . . 10.0 112.99 -169.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1922 ' ' VAL . . . . . 0.42 HG21 HD21 ' A' 1900 ' ' LEU . 53.7 t -70.02 123.39 23.73 Favored 'Isoleucine or valine' 0 C--O 1.245 0.85 0 C-N-CA 126.21 1.804 . . . . 10.0 110.918 177.727 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1923 ' ' SER . . . . . . . . . . . . . 80.4 p -123.87 148.92 46.38 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 125.275 1.43 . . . . 10.0 110.699 167.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1924 ' ' TYR . . . . . . . . . . . . . 12.0 p90 -157.56 172.16 19.06 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.714 1.206 . . . . 10.0 110.839 -176.51 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1925 ' ' LEU . . . . . . . . . . . . . 1.3 mt -140.52 92.92 8.94 Favored Pre-proline 0 CA--C 1.538 0.514 0 C-N-CA 124.117 0.967 . . . . 10.0 110.218 -174.739 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1926 ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -67.56 118.08 5.33 Favored 'Trans proline' 0 CA--C 1.533 0.435 0 C-N-CA 122.304 2.003 . . . . 10.0 112.371 173.015 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1927 ' ' VAL . . . . . . . . . . . . . 27.0 m -92.35 -6.21 10.66 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 O-C-N 120.638 -1.289 . . . . 10.0 113.982 -175.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1928 ' ' LEU . . . . . . . . . . . . . 2.7 tt -140.98 131.25 13.25 Favored Pre-proline 0 CA--C 1.543 0.678 0 C-N-CA 125.704 1.602 . . . . 10.0 112.49 -175.742 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1929 ' ' PRO . . . . . . . . . . . . . 19.1 Cg_exo -56.42 124.01 15.23 Favored 'Trans proline' 0 CA--C 1.543 0.947 0 C-N-CA 123.567 2.845 . . . . 10.0 113.182 177.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1930 ' ' GLY . . . . . . . . . . . . . . . -166.19 175.6 41.66 Favored Glycine 0 N--CA 1.479 1.503 0 N-CA-C 117.0 1.56 . . . . 10.0 117.0 -169.349 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1931 ' ' ASP . . . . . . . . . . . . . 81.2 m-20 -108.92 76.49 1.01 Allowed 'General case' 0 C--O 1.245 0.861 0 C-N-CA 126.844 2.058 . . . . 10.0 108.613 175.403 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1932 ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -74.21 151.15 40.02 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 120.9 -1.125 . . . . 10.0 111.467 -171.437 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1933 ' ' SER . . . . . . . . . . . . . 67.5 m -103.56 122.71 45.53 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 125.555 1.542 . . . . 10.0 110.506 171.764 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1934 ' ' ILE . . . . . . . . . . . . . 16.6 mm -85.83 109.98 19.17 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.67 0 N-CA-C 108.603 -0.888 . . . . 10.0 108.603 167.379 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1935 ' ' LEU . . . . . . . . . . . . . 2.6 mm? -89.45 84.04 6.39 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.8 1.24 . . . . 10.0 109.365 179.422 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1936 ' ' VAL . . . . . . . . . . . . . 22.0 t -80.81 98.35 3.71 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.228 0 O-C-N 120.543 -1.348 . . . . 10.0 110.98 178.189 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1937 ' ' LYS . . . . . . . . . . . . . 29.7 mtpt -99.84 84.25 2.87 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 128.182 2.593 . . . . 10.0 112.296 -175.186 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1938 ' ' TYR . . . . . . . . . . . . . 59.4 t80 -69.61 102.88 1.95 Allowed 'General case' 0 C--O 1.241 0.64 0 C-N-CA 123.497 0.719 . . . . 10.0 110.486 171.339 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1939 ' ' ASN . . . . . . . . . . . . . 14.7 t-20 50.32 62.49 2.65 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 125.561 1.544 . . . . 10.0 113.536 -169.441 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1940 ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 62.45 11.21 4.48 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 127.348 2.259 . . . . 10.0 116.167 171.365 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1941 ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -136.83 146.29 45.46 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.459 1.104 . . . . 10.0 110.614 169.439 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1942 ' ' HIS . . . . . . . . . . . . . 60.5 m-70 -65.83 143.03 57.73 Favored 'General case' 0 C--O 1.247 0.968 0 O-C-N 120.567 -1.333 . . . . 10.0 114.566 -169.511 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1943 ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -67.34 165.47 28.46 Favored Pre-proline 0 CA--C 1.544 0.722 0 C-N-CA 126.662 1.985 . . . . 10.0 112.671 174.739 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1944 ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -54.41 111.85 0.83 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 C-N-CA 125.136 3.891 . . . . 10.0 111.614 -176.175 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1945 ' ' GLY . . . . . . . . . . . . . . . 85.59 -2.63 87.89 Favored Glycine 0 CA--C 1.552 2.382 0 C-N-CA 125.986 1.755 . . . . 10.0 117.01 176.694 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1946 ' ' SER . . . . . . . . . . . . . 2.0 m -67.36 158.37 82.29 Favored Pre-proline 0 N--CA 1.483 1.208 0 CA-C-N 119.525 1.663 . . . . 10.0 112.602 172.333 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1947 ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -75.96 169.33 74.77 Favored 'Cis proline' 0 CA--C 1.547 1.161 0 N-CA-C 115.525 1.317 . . . . 10.0 115.525 -2.622 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1948 ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -107.09 117.17 33.35 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.797 1.639 . . . . 10.0 111.507 177.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1949 ' ' THR . . . . . . . . . . . . . 29.3 m -75.53 95.44 3.31 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 126.484 1.914 . . . . 10.0 111.22 177.005 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1950 ' ' ALA . . . . . . . . . . . . . . . -88.78 103.02 15.58 Favored 'General case' 0 C--O 1.243 0.743 0 C-N-CA 127.332 2.253 . . . . 10.0 113.846 178.359 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1951 ' ' ARG . . . . . . . . . . . . . 17.2 ttm180 -82.23 80.99 8.29 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 125.061 1.344 . . . . 10.0 112.702 -179.347 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1952 ' ' VAL . . . . . . . . . . . . . 3.0 t -59.22 100.13 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.548 0.901 0 C-N-CA 127.78 2.432 . . . . 10.0 112.731 169.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1953 ' ' THR . . . . . . . . . . . . . 7.2 t -73.75 151.48 40.64 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-O 121.229 0.537 . . . . 10.0 111.586 169.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1954 ' ' GLY . . . . . . . . . . . . . . . -117.21 161.21 13.22 Favored Glycine 0 CA--C 1.538 1.509 0 C-N-CA 125.337 1.446 . . . . 10.0 114.353 -175.013 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1955 ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -99.44 -5.74 28.88 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 126.348 1.859 . . . . 10.0 114.997 172.001 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1956 ' ' ASP . . . . . . . . . . . . . 28.4 t70 . . . . . 0 N--CA 1.484 1.25 0 C-N-CA 128.136 2.574 . . . . 10.0 112.75 -179.004 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.717 0 N-CA-C 110.822 -0.911 . . . . 10.0 110.822 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' -3' ' ' ALA . . . . . . . . . . . . . . . -73.01 169.11 17.64 Favored 'General case' 0 CA--C 1.55 0.96 0 N-CA-C 113.132 0.789 . . . . 10.0 113.132 179.339 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 90.6 mtp -137.25 155.97 48.84 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 126.079 1.752 . . . . 10.0 110.314 177.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -1' ' ' VAL . . . . . . . . . . . . . 8.8 p -128.77 -6.69 3.46 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 125.652 1.581 . . . . 10.0 113.451 -179.598 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1863 ' ' VAL . . . . . . . . . . . . . 40.7 t -57.5 105.4 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 125.899 1.679 . . . . 10.0 112.175 -173.429 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1864 ' ' ASN . . . . . . . . . . . . . 7.4 p30 -132.15 -6.24 3.45 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 125.548 1.539 . . . . 10.0 113.809 175.208 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1865 ' ' CYS . . . . . . . . . . . . . 42.5 t -111.7 146.88 36.74 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 126.529 1.932 . . . . 10.0 109.299 172.224 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1866 ' ' GLY . . . . . . . . . . . . . . . -86.07 176.57 48.91 Favored Glycine 0 CA--C 1.535 1.281 0 C-N-CA 124.451 1.024 . . . . 10.0 114.09 -177.331 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1867 ' ' HIS . . . . . . . . . . . . . 6.5 m80 -144.41 169.56 17.71 Favored 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 126.934 2.094 . . . . 10.0 110.99 171.359 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1868 ' ' VAL . . . . . . . . . . . . . 14.1 p -59.23 139.79 18.41 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.795 0 C-N-CA 125.92 1.688 . . . . 10.0 113.008 177.096 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1869 ' ' THR . . . . . . . . . . . . . 49.7 p -145.83 164.22 32.6 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 126.41 1.884 . . . . 10.0 111.408 -179.416 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1870 ' ' ALA . . . . . . . . . . . . . . . -135.43 135.4 40.54 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.637 1.575 . . . . 10.0 110.515 173.684 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1871 ' ' TYR . . . . . . . . . . . . . 36.0 p90 -161.3 166.9 26.86 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.234 1.414 . . . . 10.0 112.111 -178.247 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1872 ' ' GLY . . . . . . . . . . . . . . . 133.08 170.4 12.44 Favored Glycine 0 CA--C 1.544 1.866 0 C-N-CA 126.025 1.774 . . . . 10.0 114.163 171.69 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1873 ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -73.31 -19.32 22.44 Favored 'Trans proline' 0 CA--C 1.546 1.101 0 C-N-CA 124.003 3.136 . . . . 10.0 112.993 -174.394 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1874 ' ' GLY . . . . . . . . . . . . . . . -58.96 -34.6 79.42 Favored Glycine 0 N--CA 1.476 1.31 0 O-C-N 120.781 -1.199 . . . . 10.0 113.622 172.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1875 ' ' LEU . . . . . . . . . . . . . 21.4 mt -70.85 -4.93 26.79 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 124.481 1.112 . . . . 10.0 113.754 174.313 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1876 ' ' THR . . . . . . . . . . . . . 46.7 m -114.61 -41.82 3.36 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 126.854 2.062 . . . . 10.0 113.253 176.186 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1877 ' ' HIS . . . . . . . . . . . . . 35.7 m80 -133.33 143.04 48.75 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.828 1.251 . . . . 10.0 113.087 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1878 ' ' GLY . . . . . . . . . . . . . . . -123.26 168.44 15.46 Favored Glycine 0 CA--C 1.547 2.093 0 C-N-CA 125.013 1.292 . . . . 10.0 113.38 177.002 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1879 ' ' VAL . . . . . . . . . . . . . 21.6 t -137.04 110.19 8.12 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 C-N-CA 125.23 1.412 . . . . 10.0 109.934 175.057 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1880 ' ' VAL . . . . . . . . . . . . . 58.3 t -55.38 127.96 14.95 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 C-N-CA 124.434 1.094 . . . . 10.0 110.967 -177.509 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1881 ' ' ASN . . . . . . . . . . . . . 81.2 m-20 64.27 15.11 9.19 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 127.558 2.343 . . . . 10.0 115.941 -177.257 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1882 ' ' LYS . . . . . 0.441 ' HA ' ' HD3' ' A' 1883 ' ' PRO . 47.5 tptt -125.14 134.45 25.76 Favored Pre-proline 0 C--N 1.355 0.814 0 CA-C-N 120.531 1.514 . . . . 10.0 111.274 170.202 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1883 ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' 1882 ' ' LYS . 31.6 Cg_exo -56.94 110.52 0.6 Allowed 'Trans proline' 0 C--N 1.358 1.056 0 C-N-CA 123.453 2.769 . . . . 10.0 113.281 -169.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1884 ' ' ALA . . . . . . . . . . . . . . . -81.16 153.36 27.29 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-O 122.104 0.954 . . . . 10.0 110.739 172.261 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1885 ' ' THR . . . . . . . . . . . . . 58.2 p -147.53 153.87 40.02 Favored 'General case' 0 N--CA 1.483 1.22 0 O-C-N 120.145 -1.597 . . . . 10.0 113.322 -176.25 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1886 ' ' PHE . . . . . . . . . . . . . 42.0 p90 -148.3 169.44 20.12 Favored 'General case' 0 C--O 1.239 0.548 0 C-N-CA 124.784 1.234 . . . . 10.0 112.401 167.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1887 ' ' THR . . . . . . . . . . . . . 93.8 m -103.12 131.4 50.16 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.977 1.311 . . . . 10.0 111.018 -174.106 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1888 ' ' VAL . . . . . . . . . . . . . 2.8 m -129.77 147.3 33.27 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.334 0 C-N-CA 125.594 1.558 . . . . 10.0 108.868 168.71 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1889 ' ' ASN . . . . . . . . . . . . . 3.4 t30 -129.96 76.82 1.75 Allowed 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.497 1.519 . . . . 10.0 111.521 -166.244 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1890 ' ' THR . . . . . . . . . . . . . 14.6 p -81.57 95.76 7.25 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 128.448 2.699 . . . . 10.0 111.643 -175.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1891 ' ' LYS . . . . . . . . . . . . . 60.5 pttt -57.8 -28.26 63.85 Favored 'General case' 0 N--CA 1.482 1.175 0 N-CA-C 113.167 0.802 . . . . 10.0 113.167 176.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 26.9 t70 -142.46 -66.55 0.39 Allowed 'General case' 0 CA--C 1.557 1.216 0 C-N-CA 125.045 1.338 . . . . 10.0 112.372 170.733 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1893 ' ' ALA . . . . . . . . . . . . . . . 55.66 -55.16 0.02 OUTLIER 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 128.721 2.808 . . . . 10.0 116.527 -174.097 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . 62.84 -159.69 35.19 Favored Glycine 0 CA--C 1.547 2.035 0 C-N-CA 125.399 1.476 . . . . 10.0 113.703 177.495 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1895 ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -68.37 -2.33 8.25 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 116.033 1.864 . . . . 10.0 116.033 -172.684 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1896 ' ' GLY . . . . . . . . . . . . . . . -162.84 77.84 0.16 Allowed Glycine 0 CA--C 1.543 1.812 0 C-N-CA 125.644 1.593 . . . . 10.0 111.777 -176.73 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1897 ' ' GLY . . . . . . . . . . . . . . . -141.39 -98.78 0.34 Allowed Glycine 0 N--CA 1.475 1.253 0 C-N-CA 123.442 0.544 . . . . 10.0 112.709 179.548 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1898 ' ' LEU . . . . . . . . . . . . . 3.3 tt -67.57 122.28 17.67 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.324 1.45 . . . . 10.0 111.626 -178.37 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1899 ' ' SER . . . . . . . . . . . . . 19.8 t -132.25 150.84 52.07 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 126.192 1.797 . . . . 10.0 111.954 176.346 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1900 ' ' LEU . . . . . 0.401 HD11 HG21 ' A' 1922 ' ' VAL . 72.7 mt -127.44 156.79 41.54 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 114.844 1.424 . . . . 10.0 114.844 -174.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1901 ' ' ALA . . . . . . . . . . . . . . . -152.84 159.67 43.05 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 125.417 1.487 . . . . 10.0 108.871 165.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1902 ' ' ILE . . . . . . . . . . . . . 1.1 mp -127.55 144.58 37.01 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.639 0 C-N-CA 126.148 1.779 . . . . 10.0 109.134 177.375 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1903 ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -123.8 161.18 25.77 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 125.491 1.517 . . . . 10.0 111.915 168.708 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1904 ' ' GLY . . . . . . . . . . . . . . . 153.12 -164.25 30.84 Favored Glycine 0 CA--C 1.54 1.618 0 C-N-CA 124.836 1.208 . . . . 10.0 112.865 -169.518 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1905 ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -71.48 -16.41 30.74 Favored 'Trans proline' 0 C--N 1.363 1.311 0 C-N-CA 122.594 2.196 . . . . 10.0 111.911 171.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1906 ' ' SER . . . . . . . . . . . . . 11.3 t -154.26 153.91 32.52 Favored 'General case' 0 C--O 1.243 0.751 0 C-N-CA 128.063 2.545 . . . . 10.0 110.976 -166.691 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1907 ' ' LYS . . . . . . . . . . . . . 99.4 mttt -99.92 134.97 42.04 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.984 0.914 . . . . 10.0 110.867 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1908 ' ' ALA . . . . . . . . . . . . . . . -71.9 165.16 24.72 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.777 0.831 . . . . 10.0 112.802 172.526 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1909 ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -106.43 104.11 13.73 Favored 'General case' 0 CA--C 1.553 1.092 0 C-N-CA 125.438 1.495 . . . . 10.0 109.354 171.599 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1910 ' ' ILE . . . . . . . . . . . . . 52.4 mt -95.54 142.75 13.2 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.151 0 C-N-CA 125.322 1.449 . . . . 10.0 113.145 -167.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1911 ' ' SER . . . . . . . . . . . . . 52.1 m -143.33 171.13 14.54 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 129.453 3.101 . . . . 10.0 111.117 176.353 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1912 ' ' CYS . . . . . . . . . . . . . 25.5 p -150.7 163.53 38.33 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 125.258 1.423 . . . . 10.0 113.468 179.074 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1913 ' ' THR . . . . . . . . . . . . . 79.0 m -144.73 120.51 10.55 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.186 0.994 . . . . 10.0 110.628 -179.256 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1914 ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -72.39 94.43 1.63 Allowed 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 123.513 0.725 . . . . 10.0 110.188 168.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1915 ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -82.9 162.71 21.48 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-O 122.661 1.219 . . . . 10.0 112.219 -178.736 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1916 ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -61.75 -24.7 66.99 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 127.136 2.175 . . . . 10.0 114.328 -178.559 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1917 ' ' ASP . . . . . . . . . . . . . 26.9 t70 -82.24 -3.8 55.83 Favored 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 125.352 1.461 . . . . 10.0 112.56 176.713 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1918 ' ' GLY . . . . . . . . . . . . . . . 88.39 1.89 80.55 Favored Glycine 0 CA--C 1.538 1.498 0 C-N-CA 124.823 1.202 . . . . 10.0 114.095 179.186 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1919 ' ' THR . . . . . . . . . . . . . 18.2 p -70.2 158.26 36.14 Favored 'General case' 0 C--O 1.242 0.661 0 C-N-CA 126.014 1.725 . . . . 10.0 111.874 171.645 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1920 ' ' CYS . . . . . . . . . . . . . 1.7 t -102.62 9.12 39.53 Favored 'General case' 0 CA--C 1.559 1.316 0 C-N-CA 124.475 1.11 . . . . 10.0 112.883 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1921 ' ' SER . . . . . . . . . . . . . 50.1 m 12.86 79.18 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.101 1 C-N-CA 132.161 4.185 . . . . 10.0 114.928 -179.478 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1922 ' ' VAL . . . . . 0.401 HG21 HD11 ' A' 1900 ' ' LEU . 78.7 t -63.81 129.02 27.06 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 C-N-CA 123.541 0.736 . . . . 10.0 111.05 173.574 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1923 ' ' SER . . . . . . . . . . . . . 49.0 m -125.49 141.8 51.85 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 125.884 1.673 . . . . 10.0 110.176 169.75 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1924 ' ' TYR . . . . . . . . . . . . . 17.2 p90 -149.33 165.22 32.63 Favored 'General case' 0 C--O 1.235 0.322 0 O-C-N 121.634 -0.667 . . . . 10.0 111.985 -178.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1925 ' ' LEU . . . . . . . . . . . . . 4.2 mt -131.29 107.91 14.81 Favored Pre-proline 0 CA--C 1.547 0.843 0 O-C-N 121.511 -0.743 . . . . 10.0 110.807 -178.171 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1926 ' ' PRO . . . . . . . . . . . . . 80.2 Cg_endo -75.59 145.54 29.61 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 121.817 1.678 . . . . 10.0 109.594 168.512 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1927 ' ' VAL . . . . . . . . . . . . . 30.0 m -124.75 -6.13 6.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.925 0 C-N-CA 125.646 1.578 . . . . 10.0 114.586 -170.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1928 ' ' LEU . . . . . . . . . . . . . 5.2 tt -150.66 132.59 7.91 Favored Pre-proline 0 CA--C 1.554 1.111 0 C-N-CA 126.305 1.842 . . . . 10.0 110.472 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1929 ' ' PRO . . . . . . . . . . . . . 19.3 Cg_exo -55.03 133.81 60.2 Favored 'Trans proline' 0 C--N 1.353 0.796 0 C-N-CA 124.124 3.216 . . . . 10.0 113.558 -177.06 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1930 ' ' GLY . . . . . . . . . . . . . . . 177.43 178.73 47.28 Favored Glycine 0 CA--C 1.538 1.515 0 N-CA-C 116.75 1.46 . . . . 10.0 116.75 -178.246 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1931 ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -93.04 92.68 7.94 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 126.712 2.005 . . . . 10.0 110.134 174.707 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1932 ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -87.89 101.56 13.85 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.364 1.065 . . . . 10.0 110.281 -171.429 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1933 ' ' SER . . . . . . . . . . . . . 70.5 m -70.05 135.37 49.21 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 118.279 -0.867 . . . . 10.0 110.251 169.161 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1934 ' ' ILE . . . . . . . . . . . . . 7.5 mm -108.71 122.35 63.16 Favored 'Isoleucine or valine' 0 C--O 1.24 0.557 0 C-N-CA 125.475 1.51 . . . . 10.0 110.358 178.034 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1935 ' ' LEU . . . . . . . . . . . . . 2.7 mm? -113.09 79.54 1.25 Allowed 'General case' 0 C--O 1.236 0.384 0 C-N-CA 125.749 1.62 . . . . 10.0 109.001 -174.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1936 ' ' VAL . . . . . . . . . . . . . 20.6 t -81.48 125.17 39.55 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.268 0 O-C-N 121.064 -1.023 . . . . 10.0 109.016 175.664 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1937 ' ' LYS . . . . . . . . . . . . . 81.0 mttt -120.07 162.34 19.45 Favored 'General case' 0 C--O 1.241 0.639 0 C-N-CA 125.314 1.445 . . . . 10.0 112.017 170.73 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1938 ' ' TYR . . . . . . . . . . . . . 47.3 t80 -135.74 110.05 8.42 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 125.881 1.673 . . . . 10.0 110.695 170.24 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1939 ' ' ASN . . . . . . . . . . . . . 6.8 t30 65.59 -46.89 0.38 Allowed 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 129.132 2.973 . . . . 10.0 114.853 -176.16 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1940 ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -151.99 -29.93 0.16 Allowed 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 115.031 1.493 . . . . 10.0 115.031 -178.263 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1941 ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -123.58 160.27 27.41 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 125.547 1.539 . . . . 10.0 111.053 -168.437 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1942 ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -66.18 144.21 56.79 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-O 122.353 1.073 . . . . 10.0 111.453 179.4 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1943 ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -71.6 165.83 45.35 Favored Pre-proline 0 CA--C 1.55 0.977 0 C-N-CA 125.681 1.592 . . . . 10.0 112.332 -177.627 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1944 ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -55.62 110.43 0.55 Allowed 'Trans proline' 0 CA--C 1.538 0.708 0 C-N-CA 124.91 3.74 . . . . 10.0 111.82 -177.084 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1945 ' ' GLY . . . . . . . . . . . . . . . 91.49 -9.23 77.71 Favored Glycine 0 CA--C 1.534 1.221 0 C-N-CA 125.997 1.761 . . . . 10.0 115.695 -179.298 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1946 ' ' SER . . . . . . . . . . . . . 25.0 m -73.31 159.03 85.89 Favored Pre-proline 0 N--CA 1.482 1.148 0 CA-C-N 119.148 1.474 . . . . 10.0 112.653 173.036 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1947 ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -72.33 167.67 76.67 Favored 'Cis proline' 0 CA--C 1.552 1.391 0 CA-C-N 120.093 1.069 . . . . 10.0 113.198 -6.071 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1948 ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -121.55 165.92 14.97 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 126.971 2.108 . . . . 10.0 110.593 176.641 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1949 ' ' THR . . . . . . . . . . . . . 21.5 m -139.24 101.31 4.23 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 126.18 1.792 . . . . 10.0 111.243 176.609 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1950 ' ' ALA . . . . . . . . . . . . . . . -81.3 160.94 24.06 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.426 1.09 . . . . 10.0 112.669 172.685 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1951 ' ' ARG . . . . . . . . . . . . . 55.0 ttt180 -118.23 94.86 4.65 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 126.314 1.846 . . . . 10.0 111.118 171.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1952 ' ' VAL . . . . . . . . . . . . . 2.3 t -72.14 90.99 0.45 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.688 0 C-N-CA 126.345 1.858 . . . . 10.0 110.598 170.278 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1953 ' ' THR . . . . . . . . . . . . . 14.6 t -70.34 150.3 46.46 Favored 'General case' 0 N--CA 1.484 1.237 0 CA-C-O 120.852 0.358 . . . . 10.0 110.066 169.6 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1954 ' ' GLY . . . . . . . . . . . . . . . -123.48 141.36 13.61 Favored Glycine 0 CA--C 1.522 0.528 0 C-N-CA 124.999 1.285 . . . . 10.0 113.053 -170.199 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1955 ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -109.28 -4.73 16.24 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 126.588 1.955 . . . . 10.0 113.662 173.446 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1956 ' ' ASP . . . . . . . . . . . . . 38.6 t70 . . . . . 0 N--CA 1.478 0.929 0 C-N-CA 127.779 2.432 . . . . 10.0 113.278 176.836 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.603 0 N-CA-C 111.638 -0.585 . . . . 10.0 111.638 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' -3' ' ' ALA . . . . . . . . . . . . . . . -67.51 168.75 10.37 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 124.486 1.114 . . . . 10.0 112.824 177.311 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 63.5 mtt -70.33 117.39 11.82 Favored 'General case' 0 N--CA 1.471 0.602 0 O-C-N 121.05 -1.031 . . . . 10.0 111.438 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' -1' ' ' VAL . . . . . . . . . . . . . 31.1 m -66.01 163.32 2.43 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 C-N-CA 124.491 1.116 . . . . 10.0 112.594 173.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1863 ' ' VAL . . . . . . . . . . . . . 7.1 p -67.56 152.39 9.64 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.951 0 C-N-CA 124.408 1.083 . . . . 10.0 111.877 174.029 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1864 ' ' ASN . . . . . . . . . . . . . 29.7 m120 -99.45 1.53 44.2 Favored 'General case' 0 CA--C 1.555 1.139 0 C-N-CA 125.398 1.479 . . . . 10.0 114.429 -176.087 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1865 ' ' CYS . . . . . . . . . . . . . 92.0 m -61.89 92.81 0.04 OUTLIER 'General case' 0 CA--C 1.559 1.302 0 C-N-CA 126.42 1.888 . . . . 10.0 113.102 -177.478 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1866 ' ' GLY . . . . . . . . . . . . . . . -136.25 30.12 2.75 Favored Glycine 0 CA--C 1.532 1.137 0 C-N-CA 126.963 2.221 . . . . 10.0 113.86 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1867 ' ' HIS . . . . . . . . . . . . . 52.6 t-80 -134.63 170.97 15.0 Favored 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 126.308 1.843 . . . . 10.0 110.316 -172.805 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1868 ' ' VAL . . . . . . . . . . . . . 10.2 p -71.76 126.92 33.12 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 CA-C-O 122.473 1.13 . . . . 10.0 112.745 -175.102 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1869 ' ' THR . . . . . . . . . . . . . 40.1 p -140.41 169.86 16.88 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 127.65 2.38 . . . . 10.0 109.84 176.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1870 ' ' ALA . . . . . . . . . . . . . . . -135.44 135.87 40.89 Favored 'General case' 0 CA--C 1.559 1.29 0 C-N-CA 124.55 1.14 . . . . 10.0 110.399 175.623 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1871 ' ' TYR . . . . . . . . . . . . . 50.8 p90 -155.99 167.74 29.45 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.753 1.621 . . . . 10.0 113.385 179.444 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1872 ' ' GLY . . . . . . . . . . . . . . . 131.36 165.36 11.42 Favored Glycine 0 C--N 1.349 1.3 0 C-N-CA 125.796 1.665 . . . . 10.0 114.402 176.803 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1873 ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -69.85 -27.32 26.18 Favored 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 123.087 2.525 . . . . 10.0 113.875 -176.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1874 ' ' GLY . . . . . . . . . . . . . . . -68.6 -6.38 49.49 Favored Glycine 0 CA--C 1.539 1.563 0 CA-C-O 118.506 -1.163 . . . . 10.0 115.839 178.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1875 ' ' LEU . . . . . . . . . . . . . 34.1 mt -90.09 -5.24 56.75 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 119.042 1.421 . . . . 10.0 112.812 169.309 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1876 ' ' THR . . . . . . . . . . . . . 23.8 m -129.38 -42.35 1.34 Allowed 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 124.626 1.17 . . . . 10.0 112.306 -168.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1877 ' ' HIS . . . . . . . . . . . . . 69.7 t60 -133.26 166.11 23.23 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 126.656 1.983 . . . . 10.0 110.959 177.04 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1878 ' ' GLY . . . . . . . . . . . . . . . -150.04 174.05 29.58 Favored Glycine 0 N--CA 1.471 1.022 0 C-N-CA 124.25 0.929 . . . . 10.0 113.341 -177.101 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1879 ' ' VAL . . . . . . . . . . . . . 14.2 p -148.26 147.04 17.38 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 C-N-CA 127.438 2.295 . . . . 10.0 107.595 175.739 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1880 ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -111.34 151.5 13.44 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 CA-C-O 122.611 1.196 . . . . 10.0 114.122 -167.338 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1881 ' ' ASN . . . . . . . . . . . . . 19.0 m120 57.99 11.65 1.53 Allowed 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 127.903 2.481 . . . . 10.0 115.181 -168.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1882 ' ' LYS . . . . . . . . . . . . . 8.0 pttt -137.39 162.11 56.97 Favored Pre-proline 0 CA--C 1.55 0.967 0 C-N-CA 126.212 1.805 . . . . 10.0 109.175 168.368 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1883 ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -69.99 153.81 67.47 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.131 1.887 . . . . 10.0 113.906 -172.768 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1884 ' ' ALA . . . . . . . . . . . . . . . -135.96 151.88 50.39 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 126.577 1.951 . . . . 10.0 110.44 168.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1885 ' ' THR . . . . . . . . . . . . . 27.9 p -149.6 163.02 39.02 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 121.198 -0.939 . . . . 10.0 113.17 -169.171 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1886 ' ' PHE . . . . . . . . . . . . . 48.6 p90 -146.82 176.49 9.84 Favored 'General case' 0 C--O 1.241 0.656 0 C-N-CA 124.692 1.197 . . . . 10.0 111.446 169.236 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1887 ' ' THR . . . . . . . . . . . . . 43.1 m -119.05 135.57 54.57 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 125.603 1.561 . . . . 10.0 111.155 -173.192 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1888 ' ' VAL . . . . . . . . . . . . . 1.3 m -139.45 153.71 24.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 126.205 1.802 . . . . 10.0 108.544 170.646 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1889 ' ' ASN . . . . . . . . . . . . . 44.4 t30 -141.35 90.03 2.27 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 114.732 -1.122 . . . . 10.0 112.957 -168.471 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1890 ' ' THR . . . . . . . . . . . . . 9.3 p -80.15 2.87 22.48 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.609 1.564 . . . . 10.0 114.968 -175.244 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1891 ' ' LYS . . . . . . . . . . . . . 24.0 mtpt -60.84 135.3 57.74 Favored 'General case' 0 N--CA 1.473 0.719 0 O-C-N 121.03 -1.044 . . . . 10.0 111.742 177.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 20.2 m-20 55.17 15.55 1.31 Allowed 'General case' 0 CA--C 1.559 1.296 0 C-N-CA 128.985 2.914 . . . . 10.0 114.507 179.074 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1893 ' ' ALA . . . . . . . . . . . . . . . -67.58 -23.51 65.4 Favored 'General case' 0 C--N 1.352 0.693 0 N-CA-C 115.208 1.559 . . . . 10.0 115.208 -178.671 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . 128.97 -173.28 19.43 Favored Glycine 0 CA--C 1.531 1.055 0 CA-C-O 123.286 1.492 . . . . 10.0 112.187 -177.014 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1895 ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -76.61 -2.85 34.68 Favored 'General case' 0 CA--C 1.558 1.258 0 C-N-CA 125.581 1.552 . . . . 10.0 113.657 178.56 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1896 ' ' GLY . . . . . . . . . . . . . . . -71.88 -176.5 26.58 Favored Glycine 0 CA--C 1.535 1.3 0 C-N-CA 127.026 2.25 . . . . 10.0 115.32 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1897 ' ' GLY . . . . . . . . . . . . . . . -140.65 116.58 1.16 Allowed Glycine 0 CA--C 1.529 0.949 0 C-N-CA 125.778 1.656 . . . . 10.0 111.318 -179.555 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1898 ' ' LEU . . . . . . . . . . . . . 7.0 tt -58.68 144.31 43.84 Favored 'General case' 0 C--O 1.24 0.589 0 C-N-CA 124.44 1.096 . . . . 10.0 111.416 176.694 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1899 ' ' SER . . . . . . . . . . . . . 35.6 t -135.83 133.59 37.97 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 125.024 1.33 . . . . 10.0 110.223 171.428 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1900 ' ' LEU . . . . . . . . . . . . . 3.2 pp -141.83 167.15 22.83 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 124.895 1.278 . . . . 10.0 114.034 170.596 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1901 ' ' ALA . . . . . . . . . . . . . . . -148.42 164.02 35.36 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.308 1.443 . . . . 10.0 111.754 170.036 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1902 ' ' ILE . . . . . . . . . . . . . 1.4 mp -114.99 144.95 21.4 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 C-N-CA 124.997 1.319 . . . . 10.0 109.241 168.668 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1903 ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -129.12 160.07 34.01 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 126.221 1.809 . . . . 10.0 110.929 173.24 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1904 ' ' GLY . . . . . . . . . . . . . . . 163.57 -173.86 39.72 Favored Glycine 0 N--CA 1.474 1.171 0 C-N-CA 124.092 0.853 . . . . 10.0 112.959 -173.491 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1905 ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -72.71 -27.23 15.27 Favored 'Trans proline' 0 N--CA 1.483 0.898 0 C-N-CA 123.06 2.507 . . . . 10.0 112.927 178.711 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1906 ' ' SER . . . . . . . . . . . . . 7.8 t -145.39 47.03 1.3 Allowed 'General case' 0 N--CA 1.481 1.077 0 CA-C-O 124.163 1.935 . . . . 10.0 111.799 -165.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1907 ' ' LYS . . . . . . . . . . . . . 88.5 tttt -28.84 110.7 0.05 Allowed 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 130.551 3.54 . . . . 10.0 113.886 -174.429 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1908 ' ' ALA . . . . . . . . . . . . . . . -65.94 153.12 42.94 Favored 'General case' 0 C--O 1.243 0.714 0 C-N-CA 125.826 1.65 . . . . 10.0 112.545 177.507 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1909 ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -76.01 140.64 42.07 Favored 'General case' 0 CA--C 1.552 1.047 0 O-C-N 121.75 -0.594 . . . . 10.0 112.056 172.11 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1910 ' ' ILE . . . . . . . . . . . . . 32.9 mm -85.09 132.96 30.46 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.681 0 C-N-CA 125.233 1.413 . . . . 10.0 111.068 178.743 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1911 ' ' SER . . . . . . . . . . . . . 8.7 t -144.53 173.44 11.8 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 126.696 1.998 . . . . 10.0 110.515 169.481 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1912 ' ' CYS . . . . . . . . . . . . . 30.1 p -150.44 175.09 12.19 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 120.004 1.275 . . . . 10.0 112.836 173.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1913 ' ' THR . . . . . . . . . . . . . 15.2 t -60.24 150.08 31.25 Favored 'General case' 0 C--O 1.247 0.972 0 O-C-N 121.76 -0.588 . . . . 10.0 111.188 171.047 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1914 ' ' ASP . . . . . . . . . . . . . 33.8 t70 -66.92 -60.03 3.0 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.355 0.662 . . . . 10.0 110.865 171.216 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1915 ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -165.03 164.8 20.44 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 127.214 2.206 . . . . 10.0 110.788 167.2 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1916 ' ' GLN . . . . . . . . . . . . . 57.7 tp60 -150.36 -56.11 0.17 Allowed 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.378 1.471 . . . . 10.0 109.589 171.49 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1917 ' ' ASP . . . . . . . . . . . . . 35.7 t70 -146.86 -20.52 0.41 Allowed 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 114.3 1.222 . . . . 10.0 114.3 -178.21 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1918 ' ' GLY . . . . . . . . . . . . . . . 136.43 8.45 1.52 Allowed Glycine 0 CA--C 1.543 1.784 0 C-N-CA 125.727 1.632 . . . . 10.0 114.544 -172.04 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1919 ' ' THR . . . . . . . . . . . . . 20.0 p -66.86 168.94 8.85 Favored 'General case' 0 C--O 1.243 0.726 0 C-N-CA 126.802 2.041 . . . . 10.0 113.109 168.764 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1920 ' ' CYS . . . . . . . . . . . . . 4.1 t -121.72 15.92 11.05 Favored 'General case' 0 CA--C 1.556 1.209 0 C-N-CA 125.594 1.558 . . . . 10.0 111.852 173.624 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1921 ' ' SER . . . . . . . . . . . . . 63.0 m -37.46 103.25 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 128.438 2.695 . . . . 10.0 114.912 -167.409 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1922 ' ' VAL . . . . . . . . . . . . . 53.4 t -80.93 141.02 15.78 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 C-N-CA 126.016 1.726 . . . . 10.0 111.624 -173.728 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1923 ' ' SER . . . . . . . . . . . . . 55.4 m -127.26 140.78 51.99 Favored 'General case' 0 C--O 1.241 0.607 0 C-N-CA 127.487 2.315 . . . . 10.0 111.704 178.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1924 ' ' TYR . . . . . . . . . . . . . 24.4 p90 -140.38 168.57 19.5 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 125.342 1.457 . . . . 10.0 111.196 177.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1925 ' ' LEU . . . . . . . . . . . . . 1.1 tt -150.88 85.39 5.17 Favored Pre-proline 0 N--CA 1.481 1.096 0 O-C-N 120.791 -1.193 . . . . 10.0 109.681 -173.637 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1926 ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -74.48 158.2 44.35 Favored 'Trans proline' 0 N--CA 1.454 -0.821 0 C-N-CA 122.472 2.114 . . . . 10.0 111.37 -173.287 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1927 ' ' VAL . . . . . . . . . . . . . 35.5 m -124.72 -11.37 5.96 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 N-CA-C 114.325 1.231 . . . . 10.0 114.325 -173.402 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1928 ' ' LEU . . . . . . . . . . . . . 4.1 tt -142.38 130.48 11.57 Favored Pre-proline 0 CA--C 1.558 1.283 0 C-N-CA 125.549 1.54 . . . . 10.0 110.233 169.704 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1929 ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo -54.34 162.22 4.64 Favored 'Trans proline' 0 CA--C 1.536 0.612 0 C-N-CA 124.228 3.285 . . . . 10.0 116.097 -178.527 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1930 ' ' GLY . . . . . . . . . . . . . . . 161.98 -177.04 38.36 Favored Glycine 0 C--N 1.346 1.12 0 O-C-N 120.796 -1.19 . . . . 10.0 115.194 -171.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1931 ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -100.65 96.01 7.06 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.139 1.376 . . . . 10.0 109.271 174.651 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1932 ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -89.63 99.1 12.17 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 126.659 1.984 . . . . 10.0 112.036 -172.133 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1933 ' ' SER . . . . . . . . . . . . . 67.0 m -68.62 144.08 54.61 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.006 0.522 . . . . 10.0 110.984 175.81 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1934 ' ' ILE . . . . . . . . . . . . . 2.4 mm -121.9 116.05 48.16 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.854 0 C-N-CA 126.838 2.055 . . . . 10.0 109.391 175.43 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1935 ' ' LEU . . . . . . . . . . . . . 2.7 mm? -109.78 79.33 1.2 Allowed 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 125.369 1.468 . . . . 10.0 111.392 -169.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1936 ' ' VAL . . . . . . . . . . . . . 4.6 t -92.71 125.13 45.33 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.294 0 C-N-CA 123.925 0.89 . . . . 10.0 111.324 -174.091 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1937 ' ' LYS . . . . . . . . . . . . . 51.5 mttp -126.31 155.82 41.39 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 125.995 1.718 . . . . 10.0 114.014 174.065 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1938 ' ' TYR . . . . . . . . . . . . . 18.8 t80 -144.35 127.93 17.07 Favored 'General case' 0 C--O 1.239 0.539 0 C-N-CA 125.22 1.408 . . . . 10.0 108.18 169.022 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1939 ' ' ASN . . . . . . . . . . . . . 48.0 t30 48.59 63.96 1.88 Allowed 'General case' 0 CA--C 1.555 1.138 0 C-N-CA 126.051 1.741 . . . . 10.0 113.102 -171.593 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1940 ' ' GLU . . . . . . . . . . . . 0.324 10.9 pt-20 52.72 9.53 0.12 Allowed 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 130.432 3.493 . . . . 10.0 117.767 179.654 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1941 ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -127.95 151.34 49.23 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 126.732 2.013 . . . . 10.0 109.98 -178.342 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1942 ' ' HIS . . . . . . . . . . . . . 73.3 m-70 -64.61 149.55 48.67 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-N 120.983 1.719 . . . . 10.0 113.123 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1943 ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -68.82 165.9 32.61 Favored Pre-proline 0 CA--C 1.542 0.663 0 C-N-CA 125.966 1.706 . . . . 10.0 112.499 174.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1944 ' ' PRO . . . . . . . . . . . . . 57.5 Cg_exo -54.15 101.0 0.07 OUTLIER 'Trans proline' 0 CA--C 1.55 1.298 1 C-N-CA 126.079 4.519 . . . . 10.0 113.007 -177.097 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1945 ' ' GLY . . . . . . . . . . . . . . . 95.66 -6.05 67.36 Favored Glycine 0 CA--C 1.535 1.308 0 C-N-CA 125.991 1.758 . . . . 10.0 116.086 179.074 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1946 ' ' SER . . . . . . . . . . . . . 48.7 m -75.34 159.77 81.36 Favored Pre-proline 0 CA--C 1.553 1.064 0 C-N-CA 124.669 1.187 . . . . 10.0 113.09 175.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1947 ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -70.63 164.87 80.62 Favored 'Cis proline' 0 N--CA 1.492 1.4 0 CA-C-N 119.978 1.028 . . . . 10.0 112.475 -3.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1948 ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -119.5 165.63 14.15 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 126.186 1.794 . . . . 10.0 111.601 176.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1949 ' ' THR . . . . . . . . . . . . . 52.3 m -145.16 107.91 4.47 Favored 'General case' 0 N--CA 1.483 1.207 0 O-C-N 120.75 -1.219 . . . . 10.0 109.662 171.609 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1950 ' ' ALA . . . . . . . . . . . . . . . -78.04 160.78 27.91 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 123.829 0.852 . . . . 10.0 112.095 171.751 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1951 ' ' ARG . . . . . . . . . . . . . 53.4 ttt85 -127.89 95.99 4.37 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 113.649 0.981 . . . . 10.0 113.649 173.268 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1952 ' ' VAL . . . . . . . . . . . . . 26.0 t -57.57 134.89 22.01 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 129.048 2.939 . . . . 10.0 112.581 171.485 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1953 ' ' THR . . . . . . . . . . . . . 6.7 t -109.04 158.94 17.26 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.832 1.253 . . . . 10.0 112.02 171.247 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1954 ' ' GLY . . . . . . . . . . . . . . . -88.0 166.7 35.62 Favored Glycine 0 CA--C 1.542 1.77 0 N-CA-C 116.851 1.5 . . . . 10.0 116.851 -169.584 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1955 ' ' ASP . . . . . . . . . . . . . 25.7 t70 -75.24 -38.92 60.38 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.891 1.276 . . . . 10.0 111.72 172.537 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1956 ' ' ASP . . . . . . . . . . . . . 35.0 t70 . . . . . 0 C--O 1.249 1.053 0 C-N-CA 125.843 1.657 . . . . 10.0 112.63 175.04 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.727 0 N-CA-C 112.136 -0.385 . . . . 10.0 112.136 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' -3' ' ' ALA . . . . . . . . . . . . . . . -135.74 137.15 41.4 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 125.796 1.638 . . . . 10.0 111.724 178.236 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 2.7 mmt -116.77 12.6 14.89 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 126.858 2.063 . . . . 10.0 112.712 -178.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -1' ' ' VAL . . . . . . . . . . . . . 35.7 m -64.21 -6.72 2.9 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 126.596 1.958 . . . . 10.0 115.466 -173.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1863 ' ' VAL . . . . . . . . . . . . . 33.3 m -55.25 -12.77 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 C-N-CA 127.896 2.479 . . . . 10.0 116.206 -173.675 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1864 ' ' ASN . . . . . . . . . . . . . 8.1 p30 -123.51 -79.34 0.61 Allowed 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.676 1.19 . . . . 10.0 112.343 172.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1865 ' ' CYS . . . . . . . . . . . . . 28.1 p -71.27 -13.45 61.9 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 115.942 1.83 . . . . 10.0 115.942 -172.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1866 ' ' GLY . . . . . . . . . . . . . . . -96.09 13.04 66.5 Favored Glycine 0 CA--C 1.532 1.141 0 C-N-CA 125.735 1.636 . . . . 10.0 115.119 -173.162 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1867 ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -70.08 -32.85 71.13 Favored 'General case' 0 CA--C 1.549 0.933 0 CA-C-N 119.156 1.478 . . . . 10.0 112.872 -177.548 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1868 ' ' VAL . . . . . . . . . . . . . 6.3 p -72.67 133.08 32.46 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 C-N-CA 123.515 0.726 . . . . 10.0 109.696 166.352 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1869 ' ' THR . . . . . . . . . . . . . 64.9 p -142.59 159.26 42.59 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.651 0.781 . . . . 10.0 109.954 179.558 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1870 ' ' ALA . . . . . . . . . . . . . . . -120.76 138.17 54.14 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 124.068 0.947 . . . . 10.0 110.763 176.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1871 ' ' TYR . . . . . . . . . . . . . 49.6 p90 -154.43 153.18 31.12 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.884 1.274 . . . . 10.0 112.314 -175.624 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1872 ' ' GLY . . . . . . . . . . . . . . . 139.6 167.23 10.91 Favored Glycine 0 N--CA 1.478 1.476 0 C-N-CA 126.283 1.896 . . . . 10.0 112.57 -179.04 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1873 ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -66.15 -25.97 50.25 Favored 'Trans proline' 0 N--CA 1.478 0.57 0 C-N-CA 122.966 2.444 . . . . 10.0 111.622 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1874 ' ' GLY . . . . . . . . . . . . . . . -64.44 -7.36 26.21 Favored Glycine 0 CA--C 1.532 1.154 0 N-CA-C 116.582 1.393 . . . . 10.0 116.582 178.26 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1875 ' ' LEU . . . . . . . . . . . . . 72.1 mt -92.91 -11.55 33.16 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 119.082 1.441 . . . . 10.0 113.491 173.604 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1876 ' ' THR . . . . . . . . . . . . . 75.1 p -126.98 -28.81 2.86 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 114.529 1.307 . . . . 10.0 114.529 -176.357 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1877 ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -138.58 174.25 10.73 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 126.601 1.96 . . . . 10.0 110.679 178.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1878 ' ' GLY . . . . . . . . . . . . . . . -160.99 176.43 37.58 Favored Glycine 0 CA--C 1.54 1.649 0 O-C-N 121.161 -0.962 . . . . 10.0 113.535 176.05 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1879 ' ' VAL . . . . . . . . . . . . . 7.2 p -138.24 144.3 30.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 124.853 1.261 . . . . 10.0 110.994 174.791 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1880 ' ' VAL . . . . . . . . . . . . . 82.7 t -92.59 143.14 12.01 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 C-N-CA 127.005 2.122 . . . . 10.0 112.028 -169.1 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1881 ' ' ASN . . . . . . . . . . . . . 72.8 m-20 57.49 10.81 1.05 Allowed 'General case' 0 CA--C 1.554 1.112 0 C-N-CA 128.909 2.884 . . . . 10.0 116.662 179.192 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1882 ' ' LYS . . . . . 0.414 ' HA ' ' HD3' ' A' 1883 ' ' PRO . 0.5 OUTLIER -137.11 141.58 34.98 Favored Pre-proline 0 N--CA 1.478 0.936 0 O-C-N 120.121 -1.612 . . . . 10.0 108.785 167.61 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A 1883 ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' 1882 ' ' LYS . 64.5 Cg_exo -52.77 140.98 55.97 Favored 'Trans proline' 0 C--O 1.245 0.85 0 C-N-CA 124.358 3.372 . . . . 10.0 115.002 -173.398 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1884 ' ' ALA . . . . . . . . . . . . . . . -121.66 157.59 30.53 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 126.724 2.01 . . . . 10.0 110.875 173.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1885 ' ' THR . . . . . . . . . . . . . 57.6 p -148.43 161.91 40.65 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 115.947 1.832 . . . . 10.0 115.947 -170.119 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1886 ' ' PHE . . . . . . . . . . . . . 54.7 p90 -157.16 165.22 36.6 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 127.273 2.229 . . . . 10.0 112.158 166.661 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1887 ' ' THR . . . . . . . . . . . . . 22.5 m -106.71 151.2 25.43 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 126.222 1.809 . . . . 10.0 111.469 -175.656 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1888 ' ' VAL . . . . . . . . . . . . . 2.2 m -146.92 49.65 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 C-N-CA 126.877 2.071 . . . . 10.0 110.924 -167.728 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1889 ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -50.77 120.16 4.52 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 126.836 2.055 . . . . 10.0 114.375 -172.704 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1890 ' ' THR . . . . . . . . . . . . . 62.2 p -100.56 13.16 35.59 Favored 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 127.965 2.506 . . . . 10.0 113.829 -172.497 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1891 ' ' LYS . . . . . . . . . . . . . 99.4 mttt -62.68 120.57 11.46 Favored 'General case' 0 C--O 1.239 0.525 0 C-N-CA 125.522 1.529 . . . . 10.0 110.462 -176.176 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 19.6 t70 53.5 26.08 5.27 Favored 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 128.359 2.664 . . . . 10.0 114.329 -176.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1893 ' ' ALA . . . . . . . . . . . . . . . -62.45 -44.7 95.77 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 126.274 1.83 . . . . 10.0 115.259 -175.158 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . 149.27 -157.78 27.39 Favored Glycine 0 CA--C 1.542 1.76 0 C-N-CA 123.402 0.525 . . . . 10.0 113.894 -169.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1895 ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -71.82 -1.61 14.74 Favored 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 126.439 1.896 . . . . 10.0 114.878 -174.027 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1896 ' ' GLY . . . . . . . . . . . . . . . 98.98 -179.05 31.11 Favored Glycine 0 CA--C 1.542 1.754 0 C-N-CA 125.818 1.675 . . . . 10.0 114.12 -174.767 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1897 ' ' GLY . . . . . . . . . . . . . . . 101.03 39.65 3.04 Favored Glycine 0 N--CA 1.478 1.445 0 O-C-N 120.773 -1.427 . . . . 10.0 115.501 173.484 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1898 ' ' LEU . . . . . . . . . . . . . 6.5 tt -69.67 123.96 22.73 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.218 1.407 . . . . 10.0 110.613 169.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1899 ' ' SER . . . . . . . . . . . . . 69.3 m -135.76 128.55 31.06 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 126.356 1.862 . . . . 10.0 110.796 178.65 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1900 ' ' LEU . . . . . . . . . . . . . 3.4 pp -145.35 167.37 23.06 Favored 'General case' 0 C--O 1.237 0.446 0 N-CA-C 113.973 1.101 . . . . 10.0 113.973 172.56 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1901 ' ' ALA . . . . . . . . . . . . . . . -147.88 161.72 40.73 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 114.809 -1.087 . . . . 10.0 110.369 168.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1902 ' ' ILE . . . . . . . . . . . . . 2.1 mp -109.37 124.44 66.06 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 N-CA-C 107.252 -1.388 . . . . 10.0 107.252 168.426 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1903 ' ' GLU . . . . . . . . . . . . . 39.3 mm-40 -104.88 165.25 11.2 Favored 'General case' 0 C--O 1.218 -0.585 0 C-N-CA 127.076 2.151 . . . . 10.0 110.259 168.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1904 ' ' GLY . . . . . . . . . . . . . . . 171.71 -172.18 44.49 Favored Glycine 0 CA--C 1.533 1.191 0 C-N-CA 123.565 0.602 . . . . 10.0 112.705 -179.274 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1905 ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -72.19 -23.24 21.39 Favored 'Trans proline' 0 C--N 1.358 1.036 0 C-N-CA 123.245 2.63 . . . . 10.0 113.081 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1906 ' ' SER . . . . . . . . . . . . . 11.7 t -142.04 13.51 2.05 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 126.125 1.77 . . . . 10.0 114.755 -166.07 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1907 ' ' LYS . . . . . . . . . . . . . 55.4 tptt 45.47 98.91 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.562 0 C-N-CA 128.97 2.908 . . . . 10.0 116.248 168.544 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1908 ' ' ALA . . . . . . . . . . . . . . . -65.44 153.3 41.72 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.955 0.902 . . . . 10.0 112.881 173.514 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1909 ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -88.6 118.65 28.41 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 124.542 1.137 . . . . 10.0 111.515 175.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1910 ' ' ILE . . . . . . . . . . . . . 22.2 mm -83.64 131.89 32.77 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.3 0 C-N-CA 125.308 1.443 . . . . 10.0 111.242 -173.106 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1911 ' ' SER . . . . . . . . . . . . . 57.7 m -140.8 162.53 35.22 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 126.375 1.87 . . . . 10.0 109.416 170.059 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1912 ' ' CYS . . . . . . . . . . . . . 28.9 p -151.71 168.44 25.03 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.373 1.069 . . . . 10.0 112.234 176.484 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1913 ' ' THR . . . . . . . . . . . . . 9.5 m -106.51 149.33 27.22 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.958 1.303 . . . . 10.0 111.859 -177.175 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1914 ' ' ASP . . . . . . . . . . . . . 36.6 p-10 -109.6 7.79 24.71 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 126.017 1.727 . . . . 10.0 115.612 -168.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1915 ' ' ASN . . . . . . . . . . . . . 31.9 m120 -63.82 119.99 11.05 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.84 1.256 . . . . 10.0 112.176 172.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1916 ' ' GLN . . . . . . . . . . . . . 55.3 mt-30 -74.13 56.91 0.63 Allowed 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 126.612 1.965 . . . . 10.0 112.924 179.129 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1917 ' ' ASP . . . . . . . . . . . . . 29.6 t70 -111.63 4.65 18.79 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 126.265 1.826 . . . . 10.0 114.287 -175.501 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1918 ' ' GLY . . . . . . . . . . . . . . . 94.2 34.1 6.59 Favored Glycine 0 CA--C 1.542 1.722 0 C-N-CA 124.623 1.106 . . . . 10.0 115.062 179.348 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1919 ' ' THR . . . . . . . . . . . . . 15.3 t -151.56 171.93 16.82 Favored 'General case' 0 N--CA 1.483 1.212 0 CA-C-O 122.02 0.914 . . . . 10.0 112.85 172.298 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1920 ' ' CYS . . . . . . . . . . . . . 3.4 t -122.31 29.37 7.01 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 128.038 2.535 . . . . 10.0 111.985 -179.121 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1921 ' ' SER . . . . . . . . . . . . . 68.3 m -33.02 119.99 0.34 Allowed 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 129.759 3.224 . . . . 10.0 114.313 -166.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1922 ' ' VAL . . . . . . . . . . . . . 52.6 t -105.21 132.06 52.95 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 C-N-CA 126.011 1.725 . . . . 10.0 110.804 -169.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1923 ' ' SER . . . . . . . . . . . . . 52.1 m -122.24 121.7 37.41 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 127.072 2.149 . . . . 10.0 110.085 173.681 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1924 ' ' TYR . . . . . . . . . . . . . 25.2 p90 -121.78 164.9 16.68 Favored 'General case' 0 C--O 1.232 0.172 0 C-N-CA 124.34 1.056 . . . . 10.0 111.314 177.277 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1925 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -146.04 89.77 5.96 Favored Pre-proline 0 CA--C 1.546 0.802 0 O-C-N 121.098 -1.001 . . . . 10.0 111.525 -174.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1926 ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -76.87 131.13 11.94 Favored 'Trans proline' 0 CA--C 1.538 0.681 0 C-N-CA 123.652 2.901 . . . . 10.0 111.503 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1927 ' ' VAL . . . . . . . . . . . . . 34.5 m -85.97 -18.86 8.66 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 N-CA-C 114.209 1.189 . . . . 10.0 114.209 -178.633 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1928 ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -138.58 161.42 58.8 Favored Pre-proline 0 N--CA 1.474 0.763 0 C-N-CA 125.801 1.64 . . . . 10.0 111.978 170.406 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1929 ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -70.26 163.01 40.22 Favored 'Trans proline' 0 CA--C 1.537 0.663 0 C-N-CA 124.705 3.603 . . . . 10.0 112.443 177.704 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1930 ' ' GLY . . . . . . . . . . . . . . . 160.09 179.67 35.04 Favored Glycine 0 N--CA 1.47 0.914 0 CA-C-O 122.009 0.783 . . . . 10.0 114.76 177.269 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1931 ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -92.53 86.72 5.7 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 124.85 1.26 . . . . 10.0 110.244 170.262 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1932 ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -78.95 154.6 29.48 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 124.425 1.09 . . . . 10.0 109.994 178.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1933 ' ' SER . . . . . . . . . . . . . 27.1 t -129.11 122.28 29.57 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 124.937 1.295 . . . . 10.0 110.178 -173.253 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1934 ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -94.03 113.7 29.21 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.501 0 C-N-CA 126.6 1.96 . . . . 10.0 108.822 -178.686 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1935 ' ' LEU . . . . . 0.41 HD13 ' HB3' ' A' 1947 ' ' PRO . 2.8 mm? -99.1 89.88 4.41 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 125.455 1.502 . . . . 10.0 110.664 177.802 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1936 ' ' VAL . . . . . . . . . . . . . 4.1 t -90.63 133.26 32.97 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.439 0 O-C-N 119.771 -1.83 . . . . 10.0 110.813 179.561 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1937 ' ' LYS . . . . . . . . . . . . . 63.0 mttm -130.02 151.71 50.27 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 127.888 2.475 . . . . 10.0 111.646 171.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1938 ' ' TYR . . . . . . . . . . . . . 36.8 t80 -139.88 109.39 6.23 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.502 1.521 . . . . 10.0 109.269 169.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1939 ' ' ASN . . . . . . . . . . . . . 8.5 t-20 52.49 73.99 0.31 Allowed 'General case' 0 CA--C 1.556 1.183 0 C-N-CA 125.365 1.466 . . . . 10.0 112.648 -169.255 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1940 ' ' GLU . . . . . . . . . . . . . 3.7 tp10 73.29 -26.27 0.19 Allowed 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 128.8 2.84 . . . . 10.0 115.096 172.167 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1941 ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -116.88 151.14 37.22 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 125.302 1.441 . . . . 10.0 111.793 -170.59 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1942 ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -67.27 153.7 43.06 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-O 122.7 1.238 . . . . 10.0 112.771 -172.117 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1943 ' ' VAL . . . . . 0.494 HG13 ' HD2' ' A' 1944 ' ' PRO . 0.6 OUTLIER -71.96 165.81 46.53 Favored Pre-proline 0 CA--C 1.543 0.678 0 C-N-CA 125.749 1.62 . . . . 10.0 112.259 175.005 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A 1944 ' ' PRO . . . . . 0.494 ' HD2' HG13 ' A' 1943 ' ' VAL . 51.4 Cg_exo -58.57 111.49 0.89 Allowed 'Trans proline' 0 CA--C 1.548 1.217 0 C-N-CA 124.833 3.688 . . . . 10.0 112.534 -175.858 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1945 ' ' GLY . . . . . . . . . . . . . . . 85.75 -5.72 82.86 Favored Glycine 0 CA--C 1.533 1.204 0 C-N-CA 124.832 1.206 . . . . 10.0 116.076 179.691 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1946 ' ' SER . . . . . 0.436 ' OG ' HG12 ' A' 1943 ' ' VAL . 46.6 m -68.77 158.72 85.05 Favored Pre-proline 0 N--CA 1.478 0.969 0 CA-C-N 119.098 1.449 . . . . 10.0 113.211 176.415 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1947 ' ' PRO . . . . . 0.41 ' HB3' HD13 ' A' 1935 ' ' LEU . 74.3 Cg_endo -75.68 170.42 71.87 Favored 'Cis proline' 0 CA--C 1.54 0.795 0 CA-C-N 119.465 0.845 . . . . 10.0 113.954 -2.82 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1948 ' ' PHE . . . . . . . . . . . . . 33.8 m-85 -119.0 164.22 15.8 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 124.471 1.108 . . . . 10.0 111.179 177.771 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1949 ' ' THR . . . . . . . . . . . . . 62.9 m -134.56 107.09 7.33 Favored 'General case' 0 N--CA 1.488 1.441 0 C-N-CA 125.751 1.62 . . . . 10.0 110.263 -176.6 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1950 ' ' ALA . . . . . . . . . . . . . . . -99.81 117.75 34.79 Favored 'General case' 0 C--O 1.24 0.583 0 C-N-CA 127.301 2.24 . . . . 10.0 113.307 -178.432 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1951 ' ' ARG . . . . . . . . . . . . . 31.2 ttm180 -85.79 87.6 7.43 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-O 123.073 1.416 . . . . 10.0 114.1 175.666 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1952 ' ' VAL . . . . . . . . . . . . . 25.7 t -57.79 111.15 0.44 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.586 0 C-N-CA 129.042 2.937 . . . . 10.0 111.375 168.34 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1953 ' ' THR . . . . . . . . . . . . . 91.4 m -96.87 138.61 34.16 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 125.944 1.698 . . . . 10.0 111.136 -179.32 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1954 ' ' GLY . . . . . . . . . . . . . . . -78.88 172.36 55.26 Favored Glycine 0 CA--C 1.543 1.797 0 C-N-CA 125.219 1.39 . . . . 10.0 115.531 -169.437 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1955 ' ' ASP . . . . . . . . . . . . . 33.8 t70 -135.95 -40.51 0.68 Allowed 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 125.494 1.518 . . . . 10.0 114.561 -171.622 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1956 ' ' ASP . . . . . . . . . . . . . 22.2 t70 . . . . . 0 N--CA 1.477 0.891 0 C-N-CA 126.968 2.107 . . . . 10.0 112.595 179.147 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.279 0 N-CA-C 111.383 -0.687 . . . . 10.0 111.383 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' -3' ' ' ALA . . . . . . . . . . . . . . . -73.5 174.4 8.27 Favored 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 124.928 1.291 . . . . 10.0 113.259 176.378 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 1.8 mpt? 57.55 23.13 8.88 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 126.003 1.721 . . . . 10.0 114.887 178.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -1' ' ' VAL . . . . . . . . . . . . . 8.8 p -58.04 -27.39 31.42 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 125.643 1.577 . . . . 10.0 113.322 177.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1863 ' ' VAL . . . . . . . . . . . . . 35.6 m -75.69 -14.23 15.23 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 125.671 1.588 . . . . 10.0 114.872 179.336 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1864 ' ' ASN . . . . . . . . . . . . . 16.9 m120 -81.63 73.78 8.65 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 125.096 1.359 . . . . 10.0 113.268 -172.064 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1865 ' ' CYS . . . . . . . . . . . . . 76.1 m -69.28 -22.9 63.78 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 125.457 1.503 . . . . 10.0 114.644 175.56 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1866 ' ' GLY . . . . . . . . . . . . . . . 76.97 -78.02 1.44 Allowed Glycine 0 CA--C 1.538 1.492 0 C-N-CA 125.288 1.423 . . . . 10.0 114.69 174.149 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1867 ' ' HIS . . . . . . . . . . . . . 58.4 t60 -66.13 155.25 37.43 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.379 1.071 . . . . 10.0 113.075 -178.637 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1868 ' ' VAL . . . . . 0.421 ' HB ' ' HB2' ' A' 1893 ' ' ALA . 14.7 p -67.19 138.74 22.23 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 N-CA-C 114.094 1.146 . . . . 10.0 114.094 -173.765 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1869 ' ' THR . . . . . . . . . . . . . 40.7 p -141.33 167.64 21.7 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 127.345 2.258 . . . . 10.0 109.975 169.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1870 ' ' ALA . . . . . . . . . . . . . . . -125.97 137.52 53.69 Favored 'General case' 0 C--O 1.24 0.563 0 C-N-CA 126.191 1.796 . . . . 10.0 110.7 169.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1871 ' ' TYR . . . . . . . . . . . . . 28.8 p90 -155.19 151.56 28.32 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.076 1.35 . . . . 10.0 112.084 -176.789 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1872 ' ' GLY . . . . . . . . . . . . . . . 143.42 175.33 16.43 Favored Glycine 0 CA--C 1.528 0.879 0 O-C-N 121.278 -0.889 . . . . 10.0 114.316 179.247 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1873 ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -67.0 -33.62 31.7 Favored 'Trans proline' 0 C--N 1.355 0.887 0 C-N-CA 123.245 2.63 . . . . 10.0 112.441 -179.168 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1874 ' ' GLY . . . . . . . . . . . . . . . -74.06 5.98 23.17 Favored Glycine 0 N--CA 1.476 1.318 0 C-N-CA 126.698 2.094 . . . . 10.0 115.125 -177.114 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1875 ' ' LEU . . . . . . . . . . . . . 51.1 mt -105.76 -11.86 16.11 Favored 'General case' 0 CA--C 1.549 0.913 0 CA-C-N 119.319 1.559 . . . . 10.0 113.119 169.207 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1876 ' ' THR . . . . . . . . . . . . . 36.6 p -122.65 -33.13 3.46 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 126.208 1.803 . . . . 10.0 111.627 -174.669 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1877 ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -132.18 174.06 10.6 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 128.6 2.76 . . . . 10.0 110.985 173.446 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1878 ' ' GLY . . . . . . . . . . . . . . . -151.86 -178.77 26.91 Favored Glycine 0 CA--C 1.53 0.978 0 C-N-CA 125.455 1.502 . . . . 10.0 112.147 172.449 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1879 ' ' VAL . . . . . . . . . . . . . 12.9 p -147.64 144.41 19.4 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 C-N-CA 125.931 1.692 . . . . 10.0 107.81 173.045 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1880 ' ' VAL . . . . . . . . . . . . 0.259 0.3 OUTLIER -100.27 142.11 16.07 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 N-CA-C 113.621 0.971 . . . . 10.0 113.621 -168.074 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A 1881 ' ' ASN . . . . . . . . . . . . 0.264 26.4 m120 61.19 11.84 3.76 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 126.584 1.954 . . . . 10.0 115.716 -174.286 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1882 ' ' LYS . . . . . 0.411 ' HA ' ' HD3' ' A' 1883 ' ' PRO . 5.8 tptp -126.66 132.35 24.28 Favored Pre-proline 0 N--CA 1.485 1.303 0 C-N-CA 127.842 2.457 . . . . 10.0 108.067 168.497 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1883 ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' 1882 ' ' LYS . 53.1 Cg_exo -57.57 131.95 47.47 Favored 'Trans proline' 0 C--N 1.352 0.711 0 C-N-CA 122.729 2.286 . . . . 10.0 110.466 -176.81 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1884 ' ' ALA . . . . . . . . . . . . . . . -106.65 154.15 21.35 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 126.734 2.014 . . . . 10.0 109.686 177.169 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1885 ' ' THR . . . . . . . . . . . . . 66.9 p -149.77 163.1 38.89 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 113.599 0.963 . . . . 10.0 113.599 -171.365 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1886 ' ' PHE . . . . . . . . . . . . . 54.7 p90 -151.07 165.32 34.17 Favored 'General case' 0 C--O 1.239 0.552 0 C-N-CA 126.065 1.746 . . . . 10.0 111.061 168.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1887 ' ' THR . . . . . . . . . . . . . 89.5 m -98.42 142.04 30.54 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.732 1.213 . . . . 10.0 110.425 -179.135 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1888 ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -128.08 148.88 32.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 C-N-CA 126.904 2.082 . . . . 10.0 108.273 168.592 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1889 ' ' ASN . . . . . . . . . . . . . 51.3 t30 -132.87 77.0 1.72 Allowed 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 125.522 1.529 . . . . 10.0 112.623 -167.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1890 ' ' THR . . . . . . . . . . . . . 28.6 p -81.2 4.78 19.07 Favored 'General case' 0 N--CA 1.491 1.602 0 N-CA-C 115.712 1.745 . . . . 10.0 115.712 -171.663 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1891 ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -46.9 -44.58 19.87 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 117.647 2.462 . . . . 10.0 117.647 -166.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 25.0 t0 -130.58 29.09 4.85 Favored 'General case' 0 CA--C 1.55 0.977 0 CA-C-O 122.568 1.175 . . . . 10.0 112.781 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1893 ' ' ALA . . . . . 0.421 ' HB2' ' HB ' ' A' 1868 ' ' VAL . . . -74.38 -41.32 61.17 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 126.519 1.928 . . . . 10.0 114.858 -170.501 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . 140.22 -156.1 24.9 Favored Glycine 0 N--CA 1.473 1.113 0 C-N-CA 125.435 1.493 . . . . 10.0 112.541 -170.424 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1895 ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -65.53 147.87 52.69 Favored 'General case' 0 CA--C 1.547 0.849 0 O-C-N 121.77 -0.841 . . . . 10.0 110.699 170.054 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1896 ' ' GLY . . . . . . . . . . . . . . . -75.04 65.12 2.3 Favored Glycine 0 CA--C 1.529 0.921 0 C-N-CA 125.466 1.507 . . . . 10.0 114.824 -171.271 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1897 ' ' GLY . . . . . . . . . . . . . . . -96.3 29.28 10.42 Favored Glycine 0 CA--C 1.53 0.975 0 C-N-CA 127.252 2.358 . . . . 10.0 114.113 178.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1898 ' ' LEU . . . . . . . . . . . . . 5.7 tt -64.57 122.9 17.9 Favored 'General case' 0 C--O 1.243 0.76 0 CA-C-N 119.44 1.62 . . . . 10.0 111.226 172.784 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1899 ' ' SER . . . . . . . . . . . . . 32.7 t -142.21 140.53 32.36 Favored 'General case' 0 C--O 1.24 0.562 0 C-N-CA 123.655 0.782 . . . . 10.0 111.061 169.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1900 ' ' LEU . . . . . . . . . . . . . 25.0 mt -113.7 154.32 27.49 Favored 'General case' 0 C--O 1.243 0.729 0 CA-C-O 122.794 1.283 . . . . 10.0 114.363 -178.355 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1901 ' ' ALA . . . . . . . . . . . . . . . -143.87 162.3 36.45 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 125.534 1.534 . . . . 10.0 109.102 165.404 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1902 ' ' ILE . . . . . . . . . . . . . 1.4 tt -145.32 154.91 13.62 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 C-N-CA 124.855 1.262 . . . . 10.0 109.685 -179.618 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1903 ' ' GLU . . . . . . . . . . . . . 83.0 mt-10 -126.22 -177.3 3.92 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.34 1.456 . . . . 10.0 109.401 174.257 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1904 ' ' GLY . . . . . . . . . . . . . . . 132.25 -175.27 19.94 Favored Glycine 0 CA--C 1.547 2.062 0 C-N-CA 124.199 0.904 . . . . 10.0 112.449 -177.669 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1905 ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -70.21 -26.48 25.43 Favored 'Trans proline' 0 CA--C 1.537 0.636 0 C-N-CA 122.001 1.801 . . . . 10.0 114.759 177.805 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1906 ' ' SER . . . . . . . . . . . . . 6.8 t -153.12 60.43 0.78 Allowed 'General case' 0 CA--C 1.549 0.938 0 CA-C-O 123.573 1.654 . . . . 10.0 111.901 -164.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1907 ' ' LYS . . . . . . . . . . . . . 63.4 mtpt -32.75 121.87 0.35 Allowed 'General case' 0 N--CA 1.494 1.731 0 C-N-CA 130.148 3.379 . . . . 10.0 113.121 -174.355 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1908 ' ' ALA . . . . . . . . . . . . . . . -74.02 168.05 20.29 Favored 'General case' 0 C--N 1.348 0.522 0 N-CA-C 113.63 0.974 . . . . 10.0 113.63 -178.421 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1909 ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -106.6 113.25 26.65 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.023 0.929 . . . . 10.0 110.799 171.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1910 ' ' ILE . . . . . . . . . . . . . 1.7 mp -70.97 150.69 9.37 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.187 0 C-N-CA 127.097 2.159 . . . . 10.0 113.023 -174.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1911 ' ' SER . . . . . . . . . . . . . 7.6 t -146.05 173.71 11.94 Favored 'General case' 0 CA--C 1.564 1.509 0 C-N-CA 128.184 2.594 . . . . 10.0 110.377 167.503 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1912 ' ' CYS . . . . . . . . . . . . . 29.4 p -150.79 163.2 39.19 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 120.2 -1.562 . . . . 10.0 114.06 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1913 ' ' THR . . . . . . . . . . . . . 97.4 m -140.03 120.87 14.47 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.887 1.275 . . . . 10.0 109.101 -177.486 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1914 ' ' ASP . . . . . . . . . . . . . 3.4 p30 -69.12 -10.35 57.24 Favored 'General case' 0 N--CA 1.484 1.257 0 N-CA-C 115.478 1.659 . . . . 10.0 115.478 179.442 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1915 ' ' ASN . . . . . . . . . . . . . 39.0 t30 58.59 1.98 0.2 Allowed 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 128.854 2.862 . . . . 10.0 116.574 174.456 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1916 ' ' GLN . . . . . . . . . . . . . 58.6 mt-30 59.31 3.81 0.42 Allowed 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 126.787 2.035 . . . . 10.0 115.907 -168.742 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1917 ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -115.76 1.37 13.44 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-N 120.205 1.366 . . . . 10.0 114.178 178.772 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1918 ' ' GLY . . . . . . . . . . . . . . . 97.83 -3.92 60.99 Favored Glycine 0 CA--C 1.53 1.017 0 C-N-CA 125.19 1.376 . . . . 10.0 115.566 175.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1919 ' ' THR . . . . . . . . . . . . . 71.6 p -71.95 173.18 8.71 Favored 'General case' 0 N--CA 1.481 1.09 0 CA-C-N 119.262 1.531 . . . . 10.0 111.663 169.317 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1920 ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -123.76 17.36 9.47 Favored 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 114.696 1.369 . . . . 10.0 114.696 -176.285 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1921 ' ' SER . . . . . . . . . . . . . 44.2 m -12.81 99.95 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 130.539 3.535 . . . . 10.0 115.65 -176.318 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1922 ' ' VAL . . . . . . . . . . . . . 55.1 t -83.05 140.77 15.82 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 C-N-CA 125.912 1.685 . . . . 10.0 110.977 -173.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1923 ' ' SER . . . . . . . . . . . . . 33.1 m -126.24 152.65 45.81 Favored 'General case' 0 C--O 1.225 -0.197 0 C-N-CA 125.825 1.65 . . . . 10.0 111.599 172.514 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1924 ' ' TYR . . . . . . . . . . . . . 26.5 p90 -151.69 169.56 21.87 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 126.133 1.773 . . . . 10.0 111.42 171.042 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1925 ' ' LEU . . . . . . . . . . . . . 1.5 tm? -143.82 95.79 5.69 Favored Pre-proline 0 N--CA 1.474 0.769 0 C-N-CA 124.285 1.034 . . . . 10.0 111.59 -176.461 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1926 ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -80.64 149.85 18.7 Favored 'Trans proline' 0 CA--C 1.544 0.991 0 C-N-CA 122.932 2.421 . . . . 10.0 110.814 174.444 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1927 ' ' VAL . . . . . . . . . . . . . 34.4 m -118.48 -6.07 11.36 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 N-CA-C 114.96 1.467 . . . . 10.0 114.96 -175.684 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1928 ' ' LEU . . . . . . . . . . . . . 4.5 tt -143.66 128.16 9.47 Favored Pre-proline 0 CA--C 1.555 1.155 0 C-N-CA 125.268 1.427 . . . . 10.0 110.866 173.264 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1929 ' ' PRO . . . . . . . . . . . . . 89.2 Cg_exo -50.51 146.88 18.38 Favored 'Trans proline' 0 CA--C 1.55 1.287 0 C-N-CA 123.599 2.866 . . . . 10.0 115.764 -179.53 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1930 ' ' GLY . . . . . . . . . . . . . . . 172.0 -179.9 43.36 Favored Glycine 0 CA--C 1.528 0.906 0 CA-C-O 122.743 1.191 . . . . 10.0 115.143 -170.174 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1931 ' ' ASP . . . . . . . . . . . . . 16.2 p-10 -107.31 84.86 2.03 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 127.211 2.204 . . . . 10.0 110.659 -178.071 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1932 ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -85.78 100.31 11.95 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.409 1.083 . . . . 10.0 113.004 -169.324 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1933 ' ' SER . . . . . . . . . . . . . 20.6 t -66.48 129.77 40.94 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 120.909 -1.119 . . . . 10.0 110.539 176.077 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1934 ' ' ILE . . . . . . . . . . . . . 8.2 mm -101.95 129.95 52.45 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 125.022 1.329 . . . . 10.0 109.854 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1935 ' ' LEU . . . . . . . . . . . . . 3.0 mm? -118.98 91.4 3.55 Favored 'General case' 0 C--O 1.237 0.442 0 C-N-CA 126.21 1.804 . . . . 10.0 110.692 177.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1936 ' ' VAL . . . . . . . . . . . . . 47.4 t -91.83 109.94 21.99 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 C-N-CA 124.103 0.961 . . . . 10.0 109.251 175.134 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1937 ' ' LYS . . . . . . . . . . . . . 96.7 mttt -97.04 142.5 28.91 Favored 'General case' 0 N--CA 1.482 1.152 0 CA-C-N 119.307 0.958 . . . . 10.0 111.042 167.822 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1938 ' ' TYR . . . . . . . . . . . . . 17.9 t80 -138.14 107.79 6.23 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 125.218 1.407 . . . . 10.0 110.525 167.416 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1939 ' ' ASN . . . . . . . . . . . . . 1.5 t30 59.62 74.71 0.43 Allowed 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 126.641 1.976 . . . . 10.0 112.308 -178.773 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1940 ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 70.01 -3.95 1.63 Allowed 'General case' 0 N--CA 1.484 1.235 0 N-CA-C 117.722 2.49 . . . . 10.0 117.722 169.248 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1941 ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -138.41 160.78 38.66 Favored 'General case' 0 C--O 1.243 0.733 0 C-N-CA 125.459 1.504 . . . . 10.0 110.776 175.468 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1942 ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -68.61 152.89 44.74 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-O 121.968 0.889 . . . . 10.0 111.737 170.422 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1943 ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -67.08 163.9 40.69 Favored Pre-proline 0 CA--C 1.547 0.841 0 C-N-CA 126.247 1.819 . . . . 10.0 112.789 -176.534 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1944 ' ' PRO . . . . . . . . . . . . . 41.0 Cg_exo -60.93 -13.17 25.67 Favored 'Trans proline' 0 C--N 1.348 0.529 1 C-N-CA 125.794 4.33 . . . . 10.0 117.748 -168.517 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1945 ' ' GLY . . . . . . . . . . . . . . . -124.59 -6.22 6.75 Favored Glycine 0 CA--C 1.54 1.634 0 C-N-CA 126.466 1.984 . . . . 10.0 115.452 178.407 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1946 ' ' SER . . . . . . . . . . . . . 3.3 m -70.56 156.26 92.2 Favored Pre-proline 0 CA--C 1.547 0.844 0 CA-C-N 118.93 1.365 . . . . 10.0 111.71 174.309 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1947 ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -74.43 162.74 91.89 Favored 'Cis proline' 0 CA--C 1.545 1.031 0 CA-C-O 122.016 0.757 . . . . 10.0 112.54 -8.442 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1948 ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -119.77 168.09 11.43 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 125.879 1.672 . . . . 10.0 111.399 172.557 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1949 ' ' THR . . . . . . . . . . . . . 25.6 m -134.26 101.48 5.03 Favored 'General case' 0 N--CA 1.485 1.323 0 CA-C-N 119.817 1.19 . . . . 10.0 111.088 175.742 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1950 ' ' ALA . . . . . . . . . . . . . . . -81.3 104.6 11.87 Favored 'General case' 0 C--O 1.234 0.276 0 C-N-CA 124.974 1.31 . . . . 10.0 112.629 176.407 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1951 ' ' ARG . . . . . . . . . . . . . 58.2 ttp85 -78.26 89.97 4.33 Favored 'General case' 0 C--O 1.24 0.583 0 N-CA-C 113.307 0.854 . . . . 10.0 113.307 173.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1952 ' ' VAL . . . . . . . . . . . . . 44.6 t -59.01 114.79 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 C-N-CA 128.49 2.716 . . . . 10.0 111.833 169.115 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1953 ' ' THR . . . . . . . . . . . . . 4.2 t -96.69 167.9 10.84 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 125.143 1.377 . . . . 10.0 111.667 172.08 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1954 ' ' GLY . . . . . . . . . . . . . . . -69.91 175.66 34.44 Favored Glycine 0 CA--C 1.54 1.595 0 CA-C-O 123.995 1.886 . . . . 10.0 116.193 -176.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1955 ' ' ASP . . . . . . . . . . . . . 33.5 t70 -75.75 -18.26 59.61 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 125.406 1.483 . . . . 10.0 112.791 173.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1956 ' ' ASP . . . . . . . . . . . . . 33.7 t70 . . . . . 0 N--CA 1.488 1.436 0 C-N-CA 126.91 2.084 . . . . 10.0 113.924 -178.2 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.431 0 N-CA-C 110.7 -0.96 . . . . 10.0 110.7 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' -3' ' ' ALA . . . . . . . . . . . . . . . -60.47 -19.45 56.66 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 115.763 1.764 . . . . 10.0 115.763 -170.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 91.4 mtp -118.23 7.88 12.18 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.327 1.451 . . . . 10.0 112.937 176.13 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' -1' ' ' VAL . . . . . . . . . . . . . 98.8 t -105.38 -25.5 3.66 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 C-N-CA 125.766 1.626 . . . . 10.0 112.013 -173.509 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1863 ' ' VAL . . . . . . . . . . . . . 24.7 m -73.67 167.4 2.29 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 C-N-CA 125.431 1.492 . . . . 10.0 112.432 169.766 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1864 ' ' ASN . . . . . . . . . . . . . 42.8 t-20 -125.6 122.42 36.42 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 125.559 1.544 . . . . 10.0 111.14 -172.429 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1865 ' ' CYS . . . . . . . . . . . . . 25.1 p -85.78 1.2 50.59 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 126.436 1.895 . . . . 10.0 114.92 179.407 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1866 ' ' GLY . . . . . . . . . . . . . . . -68.35 16.3 0.52 Allowed Glycine 0 CA--C 1.535 1.323 0 C-N-CA 127.676 2.56 . . . . 10.0 118.209 -169.415 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1867 ' ' HIS . . . . . . . . . . . . . 9.1 m80 64.66 -12.94 0.11 Allowed 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 117.594 2.442 . . . . 10.0 117.594 172.492 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1868 ' ' VAL . . . . . . . . . . . . . 7.1 p -63.62 138.99 22.03 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 C-N-CA 125.681 1.592 . . . . 10.0 110.67 168.649 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1869 ' ' THR . . . . . . . . . . . . . 22.9 p -130.41 164.51 24.59 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 124.771 1.228 . . . . 10.0 113.976 -177.108 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1870 ' ' ALA . . . . . . . . . . . . . . . -138.46 126.8 23.04 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.698 1.599 . . . . 10.0 110.921 178.143 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1871 ' ' TYR . . . . . . . . . . . . . 55.4 p90 -147.61 164.83 32.25 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.644 1.178 . . . . 10.0 112.752 179.783 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1872 ' ' GLY . . . . . . . . . . . . . . . 132.91 173.04 13.17 Favored Glycine 0 N--CA 1.479 1.526 0 O-C-N 121.468 -0.77 . . . . 10.0 113.433 176.222 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1873 ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -65.67 -33.75 43.73 Favored 'Trans proline' 0 CA--C 1.54 0.803 0 C-N-CA 123.468 2.779 . . . . 10.0 112.535 -177.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1874 ' ' GLY . . . . . . . . . . . . . . . -67.98 -0.85 16.09 Favored Glycine 0 N--CA 1.48 1.612 0 C-N-CA 124.746 1.165 . . . . 10.0 115.972 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1875 ' ' LEU . . . . . . . . . . . . . 34.0 mt -103.16 -2.58 27.09 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.229 1.412 . . . . 10.0 114.059 171.44 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1876 ' ' THR . . . . . . . . . . . . . 13.2 t -135.02 -30.78 1.04 Allowed 'General case' 0 N--CA 1.482 1.142 0 N-CA-C 114.76 1.393 . . . . 10.0 114.76 -175.539 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1877 ' ' HIS . . . . . . . . . . . . . 13.0 t60 -134.9 -173.95 3.46 Favored 'General case' 0 CA--C 1.555 1.171 0 C-N-CA 125.569 1.548 . . . . 10.0 111.66 176.668 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1878 ' ' GLY . . . . . . . . . . . . . . . -172.83 173.93 45.65 Favored Glycine 0 CA--C 1.54 1.617 0 CA-C-N 118.984 0.811 . . . . 10.0 113.72 171.587 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1879 ' ' VAL . . . . . . . . . . . . . 33.5 t -133.89 109.69 13.24 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 C-N-CA 125.845 1.658 . . . . 10.0 109.909 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1880 ' ' VAL . . . . . . . . . . . . . 1.1 t -66.03 141.06 18.55 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 CA-C-O 122.431 1.11 . . . . 10.0 113.664 177.559 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1881 ' ' ASN . . . . . . . . . . . . . 34.4 m-20 70.41 0.32 3.17 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 127.687 2.395 . . . . 10.0 115.092 -175.279 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1882 ' ' LYS . . . . . . . . . . . . . 44.0 tptt -124.01 140.35 34.5 Favored Pre-proline 0 N--CA 1.485 1.284 0 C-N-CA 124.39 1.076 . . . . 10.0 110.814 173.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1883 ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -58.35 140.5 94.68 Favored 'Trans proline' 0 C--O 1.241 0.644 0 C-N-CA 122.851 2.367 . . . . 10.0 112.132 -179.656 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1884 ' ' ALA . . . . . . . . . . . . . . . -124.31 157.32 35.23 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 125.671 1.588 . . . . 10.0 111.249 174.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1885 ' ' THR . . . . . . . . . . . . . 29.1 p -146.08 159.54 43.14 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 113.648 0.981 . . . . 10.0 113.648 -171.072 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1886 ' ' PHE . . . . . . . . . . . . . 45.5 p90 -148.54 167.5 25.23 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 125.798 1.639 . . . . 10.0 111.984 168.805 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1887 ' ' THR . . . . . . . . . . . . . 64.4 m -118.1 113.23 21.29 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 124.608 1.163 . . . . 10.0 110.458 -170.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1888 ' ' VAL . . . . . . . . . . . . . 2.5 m -96.57 148.41 5.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.327 -0.851 . . . . 10.0 109.191 166.751 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1889 ' ' ASN . . . . . . . . . . . . . 32.5 t30 -136.93 95.69 3.16 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 127.197 2.199 . . . . 10.0 111.859 -164.035 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1890 ' ' THR . . . . . . . . . . . . . 25.4 p -93.58 23.88 4.37 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 129.316 3.046 . . . . 10.0 117.493 -167.071 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1891 ' ' LYS . . . . . . . . . . . . . 28.4 mtpp -46.83 -37.38 8.62 Favored 'General case' 0 N--CA 1.486 1.374 0 N-CA-C 117.088 2.255 . . . . 10.0 117.088 -168.658 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -122.69 14.45 10.13 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 125.737 1.615 . . . . 10.0 113.407 -179.671 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1893 ' ' ALA . . . . . . . . . . . . . . . -60.58 -28.54 68.57 Favored 'General case' 0 CA--C 1.551 0.99 0 N-CA-C 115.842 1.793 . . . . 10.0 115.842 -171.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . 77.01 -55.1 3.52 Favored Glycine 0 CA--C 1.533 1.166 0 C-N-CA 126.484 1.993 . . . . 10.0 115.698 171.206 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1895 ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -134.31 139.24 45.55 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 128.589 2.755 . . . . 10.0 110.312 -174.762 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1896 ' ' GLY . . . . . . . . . . . . . . . -80.65 -159.71 21.65 Favored Glycine 0 CA--C 1.542 1.72 0 C-N-CA 125.268 1.413 . . . . 10.0 115.848 -175.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1897 ' ' GLY . . . . . . . . . . . . . . . 91.2 16.73 53.0 Favored Glycine 0 CA--C 1.539 1.559 0 N-CA-C 115.293 0.877 . . . . 10.0 115.293 176.216 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1898 ' ' LEU . . . . . 0.483 ' HA ' ' H ' ' A' 1939 ' ' ASN . 0.0 OUTLIER -55.77 161.29 2.23 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.504 1.122 . . . . 10.0 113.378 169.843 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A 1899 ' ' SER . . . . . . . . . . . . . 8.7 t -133.94 153.51 51.72 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.138 0.975 . . . . 10.0 112.315 -177.519 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1900 ' ' LEU . . . . . . . . . . . . . 7.6 mt -137.91 127.24 24.67 Favored 'General case' 0 C--O 1.241 0.626 0 C-N-CA 128.079 2.551 . . . . 10.0 110.514 -174.384 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1901 ' ' ALA . . . . . . . . . . . . . . . -143.49 162.47 35.74 Favored 'General case' 0 C--O 1.24 0.604 0 C-N-CA 124.526 1.13 . . . . 10.0 111.139 168.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1902 ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -132.83 129.33 58.01 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.889 0 C-N-CA 126.029 1.732 . . . . 10.0 108.349 179.191 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1903 ' ' GLU . . . . . . . . . . . . . 44.7 mm-40 -108.33 171.94 7.12 Favored 'General case' 0 C--N 1.319 -0.757 0 C-N-CA 128.049 2.54 . . . . 10.0 110.185 169.685 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1904 ' ' GLY . . . . . . . . . . . . . . . 144.27 -165.11 27.51 Favored Glycine 0 CA--C 1.542 1.738 0 C-N-CA 125.994 1.759 . . . . 10.0 112.624 -174.173 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1905 ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -70.24 -19.2 34.13 Favored 'Trans proline' 0 C--N 1.354 0.832 0 C-N-CA 122.419 2.08 . . . . 10.0 114.091 171.646 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1906 ' ' SER . . . . . . . . . . . . . 10.1 t -151.88 -176.04 5.48 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 128.181 2.592 . . . . 10.0 110.41 -167.401 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1907 ' ' LYS . . . . . . . . . . . . . 22.8 tptt -121.45 169.27 10.81 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 125.808 1.643 . . . . 10.0 112.651 -171.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1908 ' ' ALA . . . . . . . . . . . . . . . -146.09 166.15 26.99 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 125.68 1.592 . . . . 10.0 112.32 174.394 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1909 ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -64.61 158.14 25.17 Favored 'General case' 0 CA--C 1.557 1.216 0 C-N-CA 126.172 1.789 . . . . 10.0 113.246 174.511 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1910 ' ' ILE . . . . . . . . . . . . . 23.8 mm -129.26 104.51 11.11 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 C-N-CA 126.249 1.819 . . . . 10.0 110.23 177.469 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1911 ' ' SER . . . . . . . . . . . . . 49.4 m -135.91 89.11 2.45 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.486 1.115 . . . . 10.0 112.301 178.533 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1912 ' ' CYS . . . . . . . . . . . . . 28.6 p -79.2 156.21 28.28 Favored 'General case' 0 CA--C 1.546 0.811 0 O-C-N 121.877 -0.514 . . . . 10.0 110.524 168.568 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1913 ' ' THR . . . . . . . . . . . . . 13.1 m -141.31 100.34 3.77 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.46 1.104 . . . . 10.0 109.984 -179.077 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1914 ' ' ASP . . . . . . . . . . . . . 19.4 t70 -63.07 121.78 14.45 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.61 1.164 . . . . 10.0 111.829 169.223 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1915 ' ' ASN . . . . . . . . . . . . . 44.7 m-80 -128.82 163.35 25.4 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 124.42 1.088 . . . . 10.0 113.311 -171.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1916 ' ' GLN . . . . . . . . . . . . . 11.6 tp-100 -62.7 -23.83 67.34 Favored 'General case' 0 CA--C 1.556 1.173 0 C-N-CA 128.096 2.558 . . . . 10.0 113.245 -176.281 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1917 ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -86.95 -0.8 57.18 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 126.29 1.836 . . . . 10.0 113.568 -175.705 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1918 ' ' GLY . . . . . . . . . . . . . . . 87.49 39.2 7.31 Favored Glycine 0 CA--C 1.534 1.248 0 C-N-CA 125.245 1.403 . . . . 10.0 113.262 -178.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1919 ' ' THR . . . . . . . . . . . . . 37.2 p -129.92 159.52 36.39 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 126.32 1.848 . . . . 10.0 112.234 -177.273 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1920 ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -124.07 8.94 8.64 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 125.744 1.618 . . . . 10.0 114.2 178.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1921 ' ' SER . . . . . . . . . . . . . 73.9 m 13.58 100.07 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 130.805 3.642 . . . . 10.0 115.783 169.174 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1922 ' ' VAL . . . . . . . . . . . . . 85.1 t -100.52 120.29 49.8 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 124.765 1.226 . . . . 10.0 111.261 -175.004 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1923 ' ' SER . . . . . . . . . . . . . 51.8 m -103.45 145.9 29.31 Favored 'General case' 0 C--O 1.241 0.639 0 C-N-CA 127.191 2.197 . . . . 10.0 111.036 170.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1924 ' ' TYR . . . . . . . . . . . . . 13.8 p90 -146.75 173.36 12.45 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 126.254 1.822 . . . . 10.0 110.045 175.739 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1925 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -150.77 91.29 4.07 Favored Pre-proline 0 CA--C 1.544 0.724 0 O-C-N 120.39 -1.444 . . . . 10.0 110.319 -174.651 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1926 ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -76.08 154.49 37.55 Favored 'Trans proline' 0 CA--C 1.548 1.222 0 C-N-CA 123.344 2.696 . . . . 10.0 112.547 -176.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1927 ' ' VAL . . . . . . . . . . . . . 22.3 m -126.45 -13.63 4.11 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.196 0 N-CA-C 116.298 1.962 . . . . 10.0 116.298 -169.801 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1928 ' ' LEU . . . . . . . . . . . . . 5.8 tt -142.93 121.37 7.31 Favored Pre-proline 0 N--CA 1.475 0.789 0 C-N-CA 124.534 1.133 . . . . 10.0 110.465 175.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1929 ' ' PRO . . . . . . . . . . . . . 78.4 Cg_exo -55.95 141.47 86.08 Favored 'Trans proline' 0 CA--C 1.544 0.987 0 C-N-CA 124.067 3.178 . . . . 10.0 113.139 -170.641 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1930 ' ' GLY . . . . . . . . . . . . . . . 174.92 177.45 44.03 Favored Glycine 0 CA--C 1.532 1.103 0 N-CA-C 116.313 1.285 . . . . 10.0 116.313 -172.001 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1931 ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -90.35 82.74 5.92 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 126.176 1.79 . . . . 10.0 111.005 170.314 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1932 ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -73.84 148.44 42.39 Favored 'General case' 0 CA--C 1.548 0.879 0 O-C-N 120.701 -1.249 . . . . 10.0 110.319 178.537 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1933 ' ' SER . . . . . . . . . . . . . 59.5 m -124.82 108.25 11.75 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.376 1.47 . . . . 10.0 109.809 -179.672 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1934 ' ' ILE . . . . . . . . . . . . . 3.7 mm -76.85 133.7 30.35 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.332 0 N-CA-C 108.75 -0.833 . . . . 10.0 108.75 176.567 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1935 ' ' LEU . . . . . . . . . . . . . 4.3 mm? -112.6 110.84 21.24 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 127.917 2.487 . . . . 10.0 108.569 172.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1936 ' ' VAL . . . . . . . . . . . . . 73.7 t -118.73 106.91 20.41 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 C-N-CA 124.977 1.311 . . . . 10.0 110.063 173.285 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1937 ' ' LYS . . . . . . . . . . . . . 60.2 mttm -93.95 116.77 29.25 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.944 1.298 . . . . 10.0 108.256 168.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1938 ' ' TYR . . . . . . . . . . . . . 2.3 t80 -83.71 101.82 11.82 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 118.979 -1.088 . . . . 10.0 109.181 170.111 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1939 ' ' ASN . . . . . 0.483 ' H ' ' HA ' ' A' 1898 ' ' LEU . 17.6 t-20 61.4 -43.58 0.13 Allowed 'General case' 0 CA--C 1.548 0.875 1 C-N-CA 131.965 4.106 . . . . 10.0 115.265 -170.901 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A 1940 ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -150.16 -31.05 0.2 Allowed 'General case' 0 CA--C 1.55 0.974 0 O-C-N 120.624 -1.297 . . . . 10.0 114.224 -179.413 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1941 ' ' GLN . . . . . . . . . . . . . 60.5 mm-40 -118.03 145.53 44.71 Favored 'General case' 0 C--N 1.339 0.134 0 C-N-CA 124.45 1.1 . . . . 10.0 110.176 -170.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1942 ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -74.39 145.03 44.08 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-O 122.106 0.955 . . . . 10.0 113.296 -170.639 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1943 ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.02 160.86 52.83 Favored Pre-proline 0 C--N 1.316 -0.887 0 C-N-CA 124.398 1.079 . . . . 10.0 113.093 -174.003 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1944 ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -58.84 106.49 0.29 Allowed 'Trans proline' 0 CA--C 1.541 0.868 0 C-N-CA 124.891 3.727 . . . . 10.0 110.479 178.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1945 ' ' GLY . . . . . . . . . . . . . . . 96.42 -4.44 64.36 Favored Glycine 0 N--CA 1.473 1.132 0 C-N-CA 124.931 1.253 . . . . 10.0 115.068 179.443 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1946 ' ' SER . . . . . . . . . . . . . 3.1 m -64.4 149.29 95.13 Favored Pre-proline 0 CA--C 1.558 1.261 0 CA-C-N 119.867 1.833 . . . . 10.0 112.214 168.491 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1947 ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -75.27 162.9 91.77 Favored 'Cis proline' 0 CA--C 1.542 0.897 0 CA-C-N 119.667 0.917 . . . . 10.0 113.115 -5.552 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1948 ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -117.54 105.92 12.59 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.665 1.586 . . . . 10.0 112.287 -171.013 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1949 ' ' THR . . . . . . . . . . . . . 21.0 m -71.75 86.26 0.94 Allowed 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.597 1.559 . . . . 10.0 111.899 178.344 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1950 ' ' ALA . . . . . . . . . . . . . . . -84.19 99.8 10.76 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 126.92 2.088 . . . . 10.0 111.496 175.105 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1951 ' ' ARG . . . . . . . . . . . . . 48.0 ttm-85 -86.28 82.86 7.86 Favored 'General case' 0 N--CA 1.482 1.164 0 O-C-N 120.992 -1.068 . . . . 10.0 112.53 -176.494 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1952 ' ' VAL . . . . . . . . . . . . . 6.3 t -55.17 129.15 16.2 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 C-N-CA 128.629 2.771 . . . . 10.0 112.725 171.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1953 ' ' THR . . . . . . . . . . . . . 6.2 t -111.73 160.77 16.98 Favored 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 124.455 1.102 . . . . 10.0 111.62 175.17 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1954 ' ' GLY . . . . . . . . . . . . . . . -98.36 82.43 0.63 Allowed Glycine 0 N--CA 1.473 1.13 0 C-N-CA 126.286 1.898 . . . . 10.0 112.311 -179.04 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1955 ' ' ASP . . . . . . . . . . . . . 30.0 t70 -63.63 -25.66 68.32 Favored 'General case' 0 CA--C 1.553 1.059 0 N-CA-C 115.05 1.5 . . . . 10.0 115.05 -179.542 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1956 ' ' ASP . . . . . . . . . . . . . 30.7 t70 . . . . . 0 C--O 1.252 1.224 0 C-N-CA 127.525 2.33 . . . . 10.0 112.462 179.086 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.691 0 N-CA-C 111.192 -0.763 . . . . 10.0 111.192 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' -3' ' ' ALA . . . . . . . . . . . . . . . -66.57 173.45 3.38 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 124.444 1.098 . . . . 10.0 113.082 173.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 25.2 ttt -133.63 146.23 50.73 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 126.29 1.836 . . . . 10.0 109.559 176.081 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -1' ' ' VAL . . . . . . . . . . . . . 34.1 m -64.18 -23.5 33.51 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.232 0 C-N-CA 124.918 1.287 . . . . 10.0 114.144 -174.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1863 ' ' VAL . . . . . . . . . . . . . 57.0 t -74.92 -29.27 22.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 C-N-CA 125.72 1.608 . . . . 10.0 110.965 173.384 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1864 ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -95.84 70.23 2.92 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.107 1.363 . . . . 10.0 111.388 -171.607 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1865 ' ' CYS . . . . . . . . . . . . . 74.8 m -65.64 168.16 8.01 Favored 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 124.808 1.243 . . . . 10.0 113.368 177.736 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1866 ' ' GLY . . . . . . . . . . . . . . . -89.78 171.54 37.82 Favored Glycine 0 CA--C 1.539 1.562 0 O-C-N 120.965 -1.084 . . . . 10.0 115.739 -178.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1867 ' ' HIS . . . . . . . . . . . . . 8.9 p-80 -66.52 170.33 6.35 Favored 'General case' 0 CA--C 1.558 1.287 0 C-N-CA 126.502 1.921 . . . . 10.0 113.442 173.41 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1868 ' ' VAL . . . . . . . . . . . . . 9.1 p -54.99 115.16 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 C-N-CA 125.608 1.563 . . . . 10.0 110.837 177.556 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1869 ' ' THR . . . . . . . . . . . . . 3.6 m -156.13 151.25 26.47 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 128.974 2.91 . . . . 10.0 106.854 179.191 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1870 ' ' ALA . . . . . . . . . . . . . . . -81.05 135.19 35.79 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 119.478 1.035 . . . . 10.0 111.696 168.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1871 ' ' TYR . . . . . . . . . . . . . 47.9 p90 -147.26 155.18 41.83 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 125.438 1.495 . . . . 10.0 112.246 175.291 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1872 ' ' GLY . . . . . . . . . . . . . . . 135.85 170.26 12.01 Favored Glycine 0 C--N 1.344 1.003 0 C-N-CA 125.535 1.541 . . . . 10.0 113.162 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1873 ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -69.4 -30.04 24.6 Favored 'Trans proline' 0 CA--C 1.545 1.031 0 C-N-CA 123.199 2.599 . . . . 10.0 113.761 -177.504 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1874 ' ' GLY . . . . . . . . . . . . . . . -66.94 -4.66 28.6 Favored Glycine 0 CA--C 1.539 1.575 0 N-CA-C 115.59 0.996 . . . . 10.0 115.59 177.493 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1875 ' ' LEU . . . . . . . . . . . . . 26.3 mt -93.01 -25.1 18.11 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 118.999 1.399 . . . . 10.0 113.633 171.524 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1876 ' ' THR . . . . . . . . . . . . . 69.5 p -96.82 -38.03 10.02 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 123.929 0.892 . . . . 10.0 111.847 -177.052 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1877 ' ' HIS . . . . . . . . . . . . . 37.1 p-80 -143.96 -179.13 6.29 Favored 'General case' 0 C--O 1.235 0.342 0 C-N-CA 126.017 1.727 . . . . 10.0 112.176 -179.548 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1878 ' ' GLY . . . . . . . . . . . . . . . -153.55 172.2 32.36 Favored Glycine 0 N--CA 1.47 0.946 0 C-N-CA 125.326 1.441 . . . . 10.0 113.488 177.084 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1879 ' ' VAL . . . . . . . . . . . . . 12.4 p -139.94 143.23 30.51 Favored 'Isoleucine or valine' 0 C--O 1.244 0.778 0 C-N-CA 125.763 1.625 . . . . 10.0 109.958 170.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1880 ' ' VAL . . . . . . . . . . . . . 61.8 t -94.34 142.37 13.52 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 C-N-CA 125.272 1.429 . . . . 10.0 112.811 -169.239 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1881 ' ' ASN . . . . . . . . . . . . . 81.3 m-20 58.52 20.68 7.78 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 127.32 2.248 . . . . 10.0 113.618 -174.3 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1882 ' ' LYS . . . . . 0.41 ' HA ' ' HD3' ' A' 1883 ' ' PRO . 0.5 OUTLIER -142.36 142.03 22.67 Favored Pre-proline 0 CA--C 1.543 0.696 0 C-N-CA 126.148 1.779 . . . . 10.0 110.07 171.711 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A 1883 ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' 1882 ' ' LYS . 66.4 Cg_exo -56.14 146.26 71.67 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 124.233 3.288 . . . . 10.0 115.275 -171.384 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1884 ' ' ALA . . . . . . . . . . . . . . . -128.57 139.07 52.48 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 124.723 1.209 . . . . 10.0 109.811 174.598 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1885 ' ' THR . . . . . . . . . . . . . 23.4 p -145.74 164.3 32.27 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.882 -1.136 . . . . 10.0 112.851 -173.398 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1886 ' ' PHE . . . . . . . . . . . . . 54.5 p90 -154.37 173.78 15.74 Favored 'General case' 0 C--O 1.246 0.874 0 C-N-CA 126.085 1.754 . . . . 10.0 110.916 171.675 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1887 ' ' THR . . . . . . . . . . . . . 29.0 m -118.12 141.8 48.1 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 127.266 2.226 . . . . 10.0 110.203 -172.713 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1888 ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -147.11 71.32 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 128.298 2.639 . . . . 10.0 107.644 -173.288 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1889 ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -67.65 77.23 0.19 Allowed 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 127.575 2.35 . . . . 10.0 113.803 -171.275 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1890 ' ' THR . . . . . . . . . . . . . 3.8 p -74.97 11.42 1.1 Allowed 'General case' 0 N--CA 1.475 0.793 1 C-N-CA 131.855 4.062 . . . . 10.0 116.332 -178.16 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1891 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.73 -28.31 0.23 Allowed 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 117.509 2.411 . . . . 10.0 117.509 -174.488 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 21.9 t70 -108.79 -6.41 15.87 Favored 'General case' 0 CA--C 1.556 1.205 0 C-N-CA 126.991 2.116 . . . . 10.0 115.226 -179.331 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1893 ' ' ALA . . . . . . . . . . . . . . . -66.31 -45.47 80.25 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.676 1.19 . . . . 10.0 112.083 -174.098 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . 64.85 -77.36 0.07 OUTLIER Glycine 0 CA--C 1.541 1.677 0 C-N-CA 125.438 1.494 . . . . 10.0 114.409 179.333 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1895 ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -132.4 6.85 4.16 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 127.096 2.158 . . . . 10.0 113.766 -174.537 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1896 ' ' GLY . . . . . . . . . . . . . . . -75.09 -32.16 56.68 Favored Glycine 0 N--CA 1.477 1.432 0 C-N-CA 125.7 1.619 . . . . 10.0 114.688 -175.686 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1897 ' ' GLY . . . . . . . . . . . . . . . 91.87 119.71 2.49 Favored Glycine 0 CA--C 1.537 1.408 0 C-N-CA 125.716 1.626 . . . . 10.0 115.181 170.19 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1898 ' ' LEU . . . . . . . . . . . . . 5.1 tt -115.22 118.43 33.29 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.567 1.547 . . . . 10.0 107.998 169.479 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1899 ' ' SER . . . . . . . . . . . . . 49.8 m -131.1 45.57 2.79 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 114.649 1.352 . . . . 10.0 114.649 -167.557 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1900 ' ' LEU . . . . . . . . . . . . . 3.3 pp -60.25 162.95 5.42 Favored 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 115.724 1.749 . . . . 10.0 115.724 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1901 ' ' ALA . . . . . . . . . . . . . . . -143.55 172.28 13.0 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 126.246 1.818 . . . . 10.0 112.665 170.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1902 ' ' ILE . . . . . . . . . . . . . 2.0 mp -125.91 137.31 58.12 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 C-N-CA 126.185 1.794 . . . . 10.0 109.71 172.718 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1903 ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -121.86 171.72 8.7 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 127.928 2.491 . . . . 10.0 112.09 169.032 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1904 ' ' GLY . . . . . . . . . . . . . . . 165.7 -173.52 41.36 Favored Glycine 0 N--CA 1.492 2.422 0 C-N-CA 124.278 0.942 . . . . 10.0 112.687 -177.362 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1905 ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -68.63 -21.26 39.64 Favored 'Trans proline' 0 CA--C 1.542 0.889 0 C-N-CA 122.899 2.4 . . . . 10.0 111.557 173.5 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1906 ' ' SER . . . . . . . . . . . . . 19.0 t -144.46 -15.66 0.56 Allowed 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 126.423 1.889 . . . . 10.0 113.163 -168.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1907 ' ' LYS . . . . . . . . . . . . . 20.7 ptmt 42.91 -166.74 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 130.44 3.496 . . . . 10.0 115.613 178.495 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1908 ' ' ALA . . . . . . . . . . . . . . . -151.28 165.69 33.24 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.662 1.185 . . . . 10.0 113.084 -176.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1909 ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -84.53 137.4 33.35 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 125.514 1.526 . . . . 10.0 111.898 174.539 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1910 ' ' ILE . . . . . . . . . . . . . 42.0 mm -82.95 135.67 24.35 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 C-N-CA 125.651 1.581 . . . . 10.0 109.926 -178.363 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1911 ' ' SER . . . . . . . . . . . . . 9.7 t -147.4 91.18 1.94 Allowed 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.505 1.122 . . . . 10.0 112.415 170.635 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1912 ' ' CYS . . . . . . . . . . . . . 17.0 p -65.3 144.36 57.18 Favored 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 125.248 1.419 . . . . 10.0 112.636 173.281 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1913 ' ' THR . . . . . . . . . . . . . 11.1 m -133.04 102.18 5.51 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.646 1.178 . . . . 10.0 110.774 -178.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1914 ' ' ASP . . . . . . . . . . . . . 18.6 t70 -65.84 103.83 0.98 Allowed 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.675 1.19 . . . . 10.0 111.264 172.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1915 ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -102.62 156.27 17.73 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.392 1.477 . . . . 10.0 111.636 178.626 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1916 ' ' GLN . . . . . . . . . . . . . 4.7 pp0? -65.63 -17.9 64.93 Favored 'General case' 0 CA--C 1.552 1.025 0 N-CA-C 116.478 2.029 . . . . 10.0 116.478 -171.559 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1917 ' ' ASP . . . . . . . . . . . . . 17.9 t70 -81.41 -4.18 55.02 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.033 0.933 . . . . 10.0 112.927 173.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1918 ' ' GLY . . . . . . . . . . . . . . . 86.08 53.55 2.96 Favored Glycine 0 CA--C 1.535 1.343 0 C-N-CA 125.022 1.296 . . . . 10.0 112.947 179.541 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1919 ' ' THR . . . . . . . . . . . . . 3.5 t -131.54 146.8 52.4 Favored 'General case' 0 N--CA 1.476 0.873 0 O-C-N 121.851 -0.794 . . . . 10.0 112.058 171.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1920 ' ' CYS . . . . . . . . . . . . . 4.1 t -86.06 0.7 52.78 Favored 'General case' 0 CA--C 1.556 1.191 0 C-N-CA 126.731 2.012 . . . . 10.0 112.622 179.707 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1921 ' ' SER . . . . . . . . . . . . . 43.2 m -3.33 93.55 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 131.048 3.739 . . . . 10.0 117.331 -176.424 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1922 ' ' VAL . . . . . . . . . . . . . 44.4 t -77.33 133.26 31.08 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.634 0 CA-C-O 121.741 0.781 . . . . 10.0 111.715 178.797 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1923 ' ' SER . . . . . . . . . . . . . 50.2 m -120.27 128.93 53.77 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 127.401 2.28 . . . . 10.0 110.769 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1924 ' ' TYR . . . . . . . . . . . . . 18.9 p90 -139.04 177.51 7.84 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.438 1.495 . . . . 10.0 111.667 179.739 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1925 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -152.12 87.43 4.29 Favored Pre-proline 0 CA--C 1.557 1.246 0 O-C-N 121.393 -0.817 . . . . 10.0 109.607 -170.157 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1926 ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -68.59 128.4 17.07 Favored 'Trans proline' 0 C--N 1.352 0.713 0 C-N-CA 122.91 2.407 . . . . 10.0 111.02 -174.503 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1927 ' ' VAL . . . . . . . . . . . . . 34.8 m -87.9 -15.75 9.27 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.18 0 C-N-CA 126.315 1.846 . . . . 10.0 112.628 -177.213 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1928 ' ' LEU . . . . . . . . . . . . . 14.0 mt -140.91 163.12 44.68 Favored Pre-proline 0 CA--C 1.545 0.754 0 C-N-CA 125.184 1.394 . . . . 10.0 111.126 172.182 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1929 ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -74.51 167.6 26.75 Favored 'Trans proline' 0 C--N 1.353 0.794 0 C-N-CA 123.157 2.572 . . . . 10.0 112.665 173.479 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1930 ' ' GLY . . . . . . . . . . . . . . . 157.56 -178.14 34.03 Favored Glycine 0 C--N 1.338 0.646 0 CA-C-O 122.696 1.164 . . . . 10.0 115.217 177.372 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1931 ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -96.25 78.78 3.11 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.664 1.585 . . . . 10.0 109.632 173.016 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1932 ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -73.56 156.14 38.42 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.835 0.854 . . . . 10.0 109.707 -177.687 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1933 ' ' SER . . . . . . . . . . . . . 58.5 m -127.52 115.37 18.74 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.48 1.112 . . . . 10.0 110.593 -179.066 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1934 ' ' ILE . . . . . . . . . . . . . 3.5 mm -85.49 99.31 7.3 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.821 0 O-C-N 121.124 -0.985 . . . . 10.0 109.104 173.595 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1935 ' ' LEU . . . . . . . . . . . . . 3.0 mm? -74.5 75.83 1.95 Allowed 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 125.768 1.627 . . . . 10.0 110.287 175.707 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1936 ' ' VAL . . . . . . . . . . . . . 41.0 t -79.21 108.42 12.76 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 O-C-N 120.209 -1.557 . . . . 10.0 111.192 -178.549 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1937 ' ' LYS . . . . . . . . . . . . . 65.1 mttm -101.26 137.07 40.09 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 125.206 1.402 . . . . 10.0 112.359 170.339 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1938 ' ' TYR . . . . . . . . . . . . . 71.9 t80 -131.36 116.81 18.04 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 125.658 1.583 . . . . 10.0 108.945 166.731 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1939 ' ' ASN . . . . . . . . . . . . . 13.4 t-20 51.95 72.54 0.38 Allowed 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 127.6 2.36 . . . . 10.0 112.748 -168.291 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1940 ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 63.68 -19.86 0.06 Allowed 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 128.556 2.742 . . . . 10.0 118.3 175.518 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1941 ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -120.32 154.72 34.62 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 126.211 1.804 . . . . 10.0 110.174 -175.645 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1942 ' ' HIS . . . . . . . . . . . . . 93.5 m-70 -69.62 147.29 50.87 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 113.517 0.932 . . . . 10.0 113.517 -175.716 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1943 ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.2 163.47 31.1 Favored Pre-proline 0 N--CA 1.475 0.81 0 C-N-CA 126.788 2.035 . . . . 10.0 111.175 179.507 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1944 ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -56.71 107.8 0.3 Allowed 'Trans proline' 0 N--CA 1.451 -1.012 0 C-N-CA 125.105 3.87 . . . . 10.0 113.025 -176.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1945 ' ' GLY . . . . . . . . . . . . . . . 89.64 0.43 78.95 Favored Glycine 0 CA--C 1.543 1.79 0 N-CA-C 117.007 1.563 . . . . 10.0 117.007 179.705 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1946 ' ' SER . . . . . . . . . . . . . 1.9 m -72.46 162.76 72.3 Favored Pre-proline 0 CA--C 1.548 0.866 0 CA-C-N 119.253 1.527 . . . . 10.0 114.016 177.78 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1947 ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -72.48 163.8 87.35 Favored 'Cis proline' 0 C--N 1.357 0.996 0 N-CA-C 114.375 0.875 . . . . 10.0 114.375 -3.259 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1948 ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -97.21 114.36 26.07 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.522 1.129 . . . . 10.0 109.529 176.541 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1949 ' ' THR . . . . . . . . . . . . . 49.8 m -79.39 101.74 8.3 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 124.093 0.957 . . . . 10.0 111.269 175.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1950 ' ' ALA . . . . . . . . . . . . . . . -93.66 107.76 19.59 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 128.073 2.549 . . . . 10.0 111.833 -175.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1951 ' ' ARG . . . . . . . . . . . . . 18.7 ttt85 -78.49 85.25 4.58 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 113.746 1.017 . . . . 10.0 113.746 -179.611 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1952 ' ' VAL . . . . . . . . . . . . . 2.5 t -66.42 104.05 0.57 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.879 0 C-N-CA 128.042 2.537 . . . . 10.0 111.836 173.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1953 ' ' THR . . . . . . . . . . . . . 26.2 m -81.17 132.99 35.38 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 124.896 1.278 . . . . 10.0 111.553 177.103 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1954 ' ' GLY . . . . . . . . . . . . . . . -107.16 157.44 15.55 Favored Glycine 0 CA--C 1.535 1.34 0 C-N-CA 124.96 1.266 . . . . 10.0 116.148 -170.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1955 ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -83.49 -20.48 33.88 Favored 'General case' 0 CA--C 1.563 1.455 0 N-CA-C 114.831 1.419 . . . . 10.0 114.831 172.122 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1956 ' ' ASP . . . . . . . . . . . . . 37.3 t70 . . . . . 0 C--O 1.256 1.43 0 C-N-CA 126.378 1.871 . . . . 10.0 113.826 178.78 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.666 0 N-CA-C 112.048 -0.421 . . . . 10.0 112.048 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' -3' ' ' ALA . . . . . . . . . . . . . . . -72.63 -6.26 43.05 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 115.363 1.616 . . . . 10.0 115.363 -176.586 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 78.6 mtm -68.17 -14.25 62.84 Favored 'General case' 0 N--CA 1.48 1.06 0 N-CA-C 114.817 1.414 . . . . 10.0 114.817 -175.346 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' -1' ' ' VAL . . . . . . . . . . . . . 35.4 m -131.3 160.44 42.31 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 C-N-CA 125.071 1.348 . . . . 10.0 112.487 -178.4 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1863 ' ' VAL . . . . . . . . . . . . . 67.8 t -68.69 -53.56 26.4 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.259 0 C-N-CA 124.078 0.951 . . . . 10.0 109.094 169.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1864 ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -152.39 164.77 36.82 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 126.55 1.94 . . . . 10.0 110.208 170.144 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1865 ' ' CYS . . . . . . . . . . . . . 80.1 m -68.91 -16.36 63.73 Favored 'General case' 0 CA--C 1.551 1.004 0 N-CA-C 114.531 1.308 . . . . 10.0 114.531 174.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1866 ' ' GLY . . . . . . . . . . . . . . . -127.01 102.97 0.64 Allowed Glycine 0 CA--C 1.537 1.413 0 C-N-CA 126.647 2.07 . . . . 10.0 112.047 178.391 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1867 ' ' HIS . . . . . . . . . . . . . 4.6 t-80 -76.96 -17.6 58.78 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 125.684 1.594 . . . . 10.0 114.493 -178.05 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1868 ' ' VAL . . . . . 0.512 HG23 ' HA ' ' A' 1890 ' ' THR . 3.5 p -134.06 132.9 56.14 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 128.665 2.786 . . . . 10.0 108.169 176.714 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1869 ' ' THR . . . . . . . . . . . . . 77.9 p -148.44 172.51 14.33 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 125.213 1.405 . . . . 10.0 113.225 -166.073 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1870 ' ' ALA . . . . . 0.417 ' HB2' HG12 ' A' 1888 ' ' VAL . . . -130.97 141.78 50.29 Favored 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 127.408 2.283 . . . . 10.0 110.671 173.103 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1871 ' ' TYR . . . . . . . . . . . . . 49.4 p90 -152.73 158.79 42.83 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.592 1.157 . . . . 10.0 113.161 176.594 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1872 ' ' GLY . . . . . . . . . . . . . . . 136.57 169.9 11.83 Favored Glycine 0 CA--C 1.536 1.388 0 C-N-CA 126.234 1.873 . . . . 10.0 114.158 171.654 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1873 ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -72.13 -26.38 18.11 Favored 'Trans proline' 0 C--N 1.352 0.754 0 C-N-CA 124.058 3.172 . . . . 10.0 113.564 -174.702 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1874 ' ' GLY . . . . . . . . . . . . . . . -66.79 -6.17 35.36 Favored Glycine 0 CA--C 1.534 1.259 0 CA-C-O 118.709 -1.051 . . . . 10.0 114.313 173.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1875 ' ' LEU . . . . . . . . . . . . . 41.0 mt -90.59 -9.62 46.41 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-N 119.059 1.429 . . . . 10.0 113.744 172.398 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1876 ' ' THR . . . . . . . . . . . . . 45.1 p -109.74 -31.54 7.41 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 114.26 1.207 . . . . 10.0 114.26 179.202 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1877 ' ' HIS . . . . . . . . . . . . . 41.7 p-80 -146.99 173.63 12.26 Favored 'General case' 0 N--CA 1.475 0.789 0 O-C-N 120.335 -1.478 . . . . 10.0 112.612 179.351 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1878 ' ' GLY . . . . . . . . . . . . . . . -151.79 170.73 31.25 Favored Glycine 0 CA--C 1.545 1.915 0 C-N-CA 124.541 1.067 . . . . 10.0 114.536 177.131 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1879 ' ' VAL . . . . . . . . . . . . . 25.8 t -134.04 107.65 10.21 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 C-N-CA 124.716 1.206 . . . . 10.0 110.717 179.736 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1880 ' ' VAL . . . . . 0.408 HG23 HG12 ' A' 1952 ' ' VAL . 91.2 t -50.99 123.35 2.64 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.052 0 C-N-CA 124.533 1.133 . . . . 10.0 110.755 -178.273 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1881 ' ' ASN . . . . . . . . . . . . . 82.0 m-20 72.75 9.6 5.56 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 128.947 2.899 . . . . 10.0 115.77 -178.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1882 ' ' LYS . . . . . 0.405 ' HA ' ' HD3' ' A' 1883 ' ' PRO . 10.1 tppt? -116.05 135.0 22.69 Favored Pre-proline 0 CA--C 1.552 1.048 0 C-N-CA 124.565 1.146 . . . . 10.0 110.346 170.346 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1883 ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' 1882 ' ' LYS . 50.6 Cg_exo -54.95 126.63 23.21 Favored 'Trans proline' 0 N--CA 1.463 -0.292 0 C-N-CA 123.922 3.082 . . . . 10.0 113.267 -177.542 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1884 ' ' ALA . . . . . . . . . . . . . . . -106.12 146.72 29.83 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.674 1.19 . . . . 10.0 110.951 174.698 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1885 ' ' THR . . . . . . . . . . . . . 34.0 p -145.76 159.12 43.63 Favored 'General case' 0 N--CA 1.48 1.065 0 N-CA-C 113.413 0.894 . . . . 10.0 113.413 -173.129 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1886 ' ' PHE . . . . . . . . . . . . . 52.7 p90 -155.68 175.4 13.97 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 125.795 1.638 . . . . 10.0 112.067 168.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1887 ' ' THR . . . . . . . . . . . . . 89.1 m -117.38 140.88 49.0 Favored 'General case' 0 N--CA 1.472 0.631 0 O-C-N 120.634 -1.291 . . . . 10.0 110.198 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1888 ' ' VAL . . . . . 0.456 HG23 ' HB3' ' A' 1920 ' ' CYS . 2.6 m -118.64 156.26 20.59 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 C-N-CA 125.125 1.37 . . . . 10.0 108.585 166.34 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1889 ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -143.34 108.97 5.11 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 125.408 1.483 . . . . 10.0 110.244 -173.598 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1890 ' ' THR . . . . . 0.512 ' HA ' HG23 ' A' 1868 ' ' VAL . 77.0 p -87.17 -13.81 42.95 Favored 'General case' 0 N--CA 1.483 1.191 0 N-CA-C 116.182 1.919 . . . . 10.0 116.182 -178.669 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1891 ' ' LYS . . . . . . . . . . . . . 90.0 mttt 46.87 -90.49 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 128.063 2.545 . . . . 10.0 113.306 -170.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 29.4 t70 -88.17 -68.12 0.78 Allowed 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.949 0.9 . . . . 10.0 111.892 173.147 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1893 ' ' ALA . . . . . . . . . . . . . . . 53.91 -32.12 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 131.637 3.975 . . . . 10.0 119.059 -175.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . 60.65 -124.95 37.15 Favored Glycine 0 CA--C 1.535 1.319 0 CA-C-N 120.797 1.635 . . . . 10.0 112.432 -174.029 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1895 ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -79.02 6.44 9.36 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 125.509 1.524 . . . . 10.0 114.017 171.389 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1896 ' ' GLY . . . . . . . . . . . . . . . -59.4 96.64 0.08 OUTLIER Glycine 0 CA--C 1.536 1.372 0 C-N-CA 127.909 2.671 . . . . 10.0 112.725 177.118 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1897 ' ' GLY . . . . . . . . . . . . . . . -80.91 84.5 1.42 Allowed Glycine 0 N--CA 1.47 0.94 0 C-N-CA 125.697 1.618 . . . . 10.0 112.743 -175.732 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1898 ' ' LEU . . . . . . . . . . . . . 2.6 tm? -62.68 114.19 3.45 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 126.043 1.737 . . . . 10.0 108.97 168.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1899 ' ' SER . . . . . . . . . . . . . 23.3 t -135.02 148.95 50.08 Favored 'General case' 0 C--O 1.221 -0.445 0 C-N-CA 126.295 1.838 . . . . 10.0 110.45 -179.141 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1900 ' ' LEU . . . . . . . . . . . . . 4.0 pp -150.96 166.41 30.73 Favored 'General case' 0 C--O 1.243 0.76 0 N-CA-C 114.708 1.373 . . . . 10.0 114.708 -178.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1901 ' ' ALA . . . . . . . . . . . . . . . -145.13 170.11 16.85 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.546 1.138 . . . . 10.0 111.264 169.276 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1902 ' ' ILE . . . . . . . . . . . . . 1.2 mp -115.53 119.98 63.4 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 C-N-CA 125.242 1.417 . . . . 10.0 108.734 172.503 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1903 ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -105.55 175.21 5.57 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 126.404 1.882 . . . . 10.0 110.575 171.111 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1904 ' ' GLY . . . . . . . . . . . . . . . 148.9 -156.27 26.75 Favored Glycine 0 N--CA 1.476 1.362 0 C-N-CA 124.932 1.253 . . . . 10.0 112.326 -173.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1905 ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -72.95 -15.99 26.0 Favored 'Trans proline' 0 C--N 1.352 0.759 0 CA-C-N 120.081 1.941 . . . . 10.0 112.49 167.443 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1906 ' ' SER . . . . . . . . . . . . . 12.0 t -151.16 167.18 28.56 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 128.669 2.788 . . . . 10.0 110.476 -168.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1907 ' ' LYS . . . . . . . . . . . . . 30.1 mtpp -131.67 173.84 10.73 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 126.686 1.994 . . . . 10.0 111.883 -176.052 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1908 ' ' ALA . . . . . . . . . . . . . . . -139.51 165.04 28.3 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.093 1.357 . . . . 10.0 112.881 -177.411 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1909 ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -70.29 132.02 45.06 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 124.926 1.29 . . . . 10.0 110.057 168.428 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1910 ' ' ILE . . . . . . . . . . . . . 45.0 mm -111.92 120.18 61.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 O-C-N 121.532 -0.73 . . . . 10.0 109.797 -174.408 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1911 ' ' SER . . . . . . . . . . . . . 69.7 m -127.51 149.96 49.9 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 125.938 1.695 . . . . 10.0 110.467 174.804 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1912 ' ' CYS . . . . . . . . . . . . . 31.8 p -141.42 158.32 44.02 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 126.308 1.843 . . . . 10.0 111.075 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1913 ' ' THR . . . . . . . . . . . . . 34.4 m -143.31 103.67 4.15 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.393 1.077 . . . . 10.0 110.248 -174.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1914 ' ' ASP . . . . . . . . . . . . . 23.0 t70 -73.46 99.83 3.09 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 125.832 1.653 . . . . 10.0 112.604 174.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1915 ' ' ASN . . . . . . . . . . . . . 44.0 m-20 -81.32 -178.16 6.8 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 126.213 1.805 . . . . 10.0 113.933 -178.25 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1916 ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -56.35 -38.19 71.05 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 126.505 1.922 . . . . 10.0 113.641 -179.627 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1917 ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -94.37 3.67 54.88 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.631 1.173 . . . . 10.0 113.498 -172.545 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1918 ' ' GLY . . . . . . . . . . . . . . . 86.47 2.7 84.84 Favored Glycine 0 CA--C 1.538 1.502 0 C-N-CA 124.596 1.093 . . . . 10.0 114.706 -175.685 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1919 ' ' THR . . . . . . . . . . . . . 15.5 p -66.57 141.89 57.69 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 120.942 -1.328 . . . . 10.0 109.988 167.698 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1920 ' ' CYS . . . . . 0.456 ' HB3' HG23 ' A' 1888 ' ' VAL . 0.5 OUTLIER -114.26 9.93 17.11 Favored 'General case' 0 CA--C 1.552 1.031 0 N-CA-C 114.575 1.324 . . . . 10.0 114.575 -170.479 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A 1921 ' ' SER . . . . . . . . . . . . . 67.0 m 17.94 95.56 0.0 OUTLIER 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 130.867 3.667 . . . . 10.0 116.851 172.006 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1922 ' ' VAL . . . . . . . . . . . . . 78.6 t -93.39 138.62 19.86 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 C-N-CA 124.496 1.118 . . . . 10.0 110.594 -175.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1923 ' ' SER . . . . . . . . . . . . . 70.1 m -131.49 135.52 47.16 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 127.157 2.183 . . . . 10.0 109.867 177.23 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1924 ' ' TYR . . . . . . . . . . . . . 17.1 p90 -145.29 176.69 9.36 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 126.495 1.918 . . . . 10.0 112.118 178.514 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1925 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -140.83 99.34 6.79 Favored Pre-proline 0 N--CA 1.477 0.915 0 C-N-CA 123.392 0.677 . . . . 10.0 110.54 -176.44 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1926 ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -66.15 145.14 77.86 Favored 'Trans proline' 0 C--N 1.354 0.844 0 C-N-CA 122.706 2.271 . . . . 10.0 111.722 172.675 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1927 ' ' VAL . . . . . . . . . . . . . 34.7 m -130.43 -2.27 2.45 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.094 0 C-N-CA 124.214 1.006 . . . . 10.0 113.683 -175.064 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1928 ' ' LEU . . . . . . . . . . . . . 3.2 tt -155.36 133.98 7.28 Favored Pre-proline 0 CA--C 1.552 1.044 0 C-N-CA 124.656 1.182 . . . . 10.0 110.491 178.364 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1929 ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -69.93 142.28 46.78 Favored 'Trans proline' 0 C--N 1.35 0.629 0 C-N-CA 121.936 1.757 . . . . 10.0 112.726 -173.299 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1930 ' ' GLY . . . . . . . . . . . . . . . 167.98 178.02 39.63 Favored Glycine 0 CA--C 1.535 1.337 0 N-CA-C 116.441 1.337 . . . . 10.0 116.441 -173.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1931 ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -81.24 85.01 6.44 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.613 1.965 . . . . 10.0 110.431 173.87 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1932 ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -72.06 98.39 2.08 Favored 'General case' 0 C--O 1.241 0.631 0 C-N-CA 124.516 1.126 . . . . 10.0 110.899 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1933 ' ' SER . . . . . . . . . . . . . 74.9 m -75.91 105.15 6.79 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.071 1.348 . . . . 10.0 111.47 176.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1934 ' ' ILE . . . . . . . . . . . . . 2.3 mm -76.3 105.97 5.72 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.692 0 C-N-CA 122.956 0.503 . . . . 10.0 109.78 173.059 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1935 ' ' LEU . . . . . . . . . . . . . 4.4 mm? -96.72 107.25 19.67 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.743 1.217 . . . . 10.0 109.907 179.108 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1936 ' ' VAL . . . . . . . . . . . . . 17.7 t -107.8 136.84 41.84 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.305 0 C-N-CA 123.294 0.637 . . . . 10.0 112.043 178.318 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1937 ' ' LYS . . . . . . . . . . . . . 97.3 mttt -126.59 149.61 49.35 Favored 'General case' 0 C--N 1.346 0.44 0 C-N-CA 126.826 2.05 . . . . 10.0 112.728 175.519 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1938 ' ' TYR . . . . . . . . . . . . . 69.1 t80 -139.69 108.2 5.87 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 126.815 2.046 . . . . 10.0 109.755 174.705 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1939 ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 52.25 72.25 0.41 Allowed 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 126.133 1.773 . . . . 10.0 113.759 -175.091 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1940 ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 63.01 3.3 1.21 Allowed 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 116.572 2.064 . . . . 10.0 116.572 171.124 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1941 ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -130.52 160.13 35.05 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 126.734 2.013 . . . . 10.0 111.814 170.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1942 ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -71.19 155.49 40.67 Favored 'General case' 0 CA--C 1.553 1.066 0 CA-C-O 122.137 0.97 . . . . 10.0 113.499 177.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1943 ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -71.63 164.72 55.63 Favored Pre-proline 0 CA--C 1.546 0.812 0 C-N-CA 125.094 1.357 . . . . 10.0 112.69 -176.075 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1944 ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -59.86 -7.92 6.87 Favored 'Trans proline' 0 CA--C 1.538 0.703 1 C-N-CA 126.0 4.467 . . . . 10.0 118.143 -170.4 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1945 ' ' GLY . . . . . . . . . . . . . . . -141.47 5.38 2.35 Favored Glycine 0 CA--C 1.537 1.436 0 C-N-CA 126.756 2.122 . . . . 10.0 115.085 -177.087 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1946 ' ' SER . . . . . . . . . . . . . 4.6 m -68.64 154.41 94.62 Favored Pre-proline 0 CA--C 1.564 1.514 0 CA-C-N 118.927 1.363 . . . . 10.0 113.42 -179.085 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1947 ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -74.17 162.08 93.09 Favored 'Cis proline' 0 CA--C 1.546 1.101 0 CA-C-N 118.676 0.563 . . . . 10.0 111.729 -15.509 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1948 ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -96.66 -16.99 20.67 Favored 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 114.534 1.309 . . . . 10.0 114.534 -179.133 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1949 ' ' THR . . . . . . . . . . . . . 13.4 m 39.09 83.17 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.592 0 C-N-CA 128.85 2.86 . . . . 10.0 115.843 171.236 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1950 ' ' ALA . . . . . . . . . . . . . . . -76.78 170.43 16.48 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 125.56 1.544 . . . . 10.0 111.843 170.114 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1951 ' ' ARG . . . . . . . . . . . . . 52.5 ttt85 -138.08 94.4 2.88 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 113.836 1.05 . . . . 10.0 113.836 171.498 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1952 ' ' VAL . . . . . 0.408 HG12 HG23 ' A' 1880 ' ' VAL . 2.7 t -60.27 134.01 25.66 Favored 'Isoleucine or valine' 0 C--O 1.24 0.562 0 C-N-CA 128.223 2.609 . . . . 10.0 112.586 171.322 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1953 ' ' THR . . . . . . . . . . . . . 15.4 t -119.66 150.82 39.72 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 125.613 1.565 . . . . 10.0 111.523 175.618 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1954 ' ' GLY . . . . . . . . . . . . . . . -86.49 116.22 4.38 Favored Glycine 0 CA--C 1.538 1.491 0 C-N-CA 125.645 1.593 . . . . 10.0 115.595 -169.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1955 ' ' ASP . . . . . . . . . . . . . 35.5 t70 -74.08 -13.94 60.91 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 125.162 1.385 . . . . 10.0 114.224 173.721 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1956 ' ' ASP . . . . . . . . . . . . . 37.7 t70 . . . . . 0 C--O 1.253 1.26 0 C-N-CA 126.66 1.984 . . . . 10.0 113.611 177.027 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.697 0 N-CA-C 110.607 -0.997 . . . . 10.0 110.607 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' -3' ' ' ALA . . . . . . . . . . . . . . . -70.81 174.24 6.31 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 125.365 1.466 . . . . 10.0 114.014 179.557 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 61.0 mtt -130.38 168.63 16.64 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 126.651 1.98 . . . . 10.0 111.349 175.046 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' -1' ' ' VAL . . . . . . . . . . . . . 62.1 t -72.0 -42.94 68.23 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 C-N-CA 124.124 0.97 . . . . 10.0 110.819 176.626 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1863 ' ' VAL . . . . . . . . . . . . . 35.3 m -69.26 156.19 7.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 C-N-CA 123.728 0.811 . . . . 10.0 112.572 173.123 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1864 ' ' ASN . . . . . . . . . . . . . 10.4 p-10 -74.51 -21.54 59.5 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 114.231 1.196 . . . . 10.0 114.231 172.525 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1865 ' ' CYS . . . . . . . . . . . . . 63.9 m -73.3 168.65 18.73 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.348 1.459 . . . . 10.0 112.915 178.118 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1866 ' ' GLY . . . . . . . . . . . . . . . -119.82 12.54 10.83 Favored Glycine 0 CA--C 1.544 1.849 0 C-N-CA 126.566 2.031 . . . . 10.0 113.099 171.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1867 ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -87.16 -166.9 1.71 Allowed 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.563 1.545 . . . . 10.0 113.352 -169.832 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1868 ' ' VAL . . . . . . . . . . . . . 10.8 p -63.41 111.51 0.99 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 C-N-CA 126.17 1.788 . . . . 10.0 111.381 169.629 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1869 ' ' THR . . . . . . . . . . . . . 3.5 m -148.42 165.74 30.22 Favored 'General case' 0 C--N 1.319 -0.747 0 C-N-CA 128.019 2.528 . . . . 10.0 108.099 -175.738 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1870 ' ' ALA . . . . . . . . . . . . . . . -114.93 142.34 46.73 Favored 'General case' 0 CA--C 1.541 0.596 0 CA-C-N 118.905 0.775 . . . . 10.0 111.347 173.202 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1871 ' ' TYR . . . . . . . . . . . . . 33.1 p90 -156.84 168.7 26.66 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.554 1.542 . . . . 10.0 111.037 -178.749 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1872 ' ' GLY . . . . . . . . . . . . . . . 126.49 179.26 15.68 Favored Glycine 0 N--CA 1.481 1.677 0 O-C-N 120.703 -1.248 . . . . 10.0 114.007 172.368 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1873 ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -54.46 -46.0 36.72 Favored 'Trans proline' 0 CA--C 1.539 0.761 0 C-N-CA 124.334 3.356 . . . . 10.0 113.096 -177.158 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1874 ' ' GLY . . . . . . . . . . . . . . . -60.83 -19.64 56.02 Favored Glycine 0 CA--C 1.539 1.586 0 C-N-CA 125.602 1.573 . . . . 10.0 115.246 -174.669 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1875 ' ' LEU . . . . . . . . . . . . . 13.4 mt -90.4 -21.62 21.86 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 119.968 1.884 . . . . 10.0 113.286 171.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1876 ' ' THR . . . . . . . . . . . . . 86.3 m -80.8 -48.3 12.66 Favored 'General case' 0 N--CA 1.482 1.155 0 O-C-N 121.546 -0.721 . . . . 10.0 110.663 174.794 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1877 ' ' HIS . . . . . . . . . . . . . 5.1 p80 -148.14 164.14 34.81 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 125.436 1.494 . . . . 10.0 111.048 178.314 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1878 ' ' GLY . . . . . . . . . . . . . . . -129.06 174.62 19.12 Favored Glycine 0 CA--C 1.534 1.234 0 C-N-CA 126.414 1.959 . . . . 10.0 112.902 178.148 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1879 ' ' VAL . . . . . . . . . . . . . 8.0 p -136.31 137.89 47.6 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 124.945 1.298 . . . . 10.0 111.029 169.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1880 ' ' VAL . . . . . 0.508 HG23 HG12 ' A' 1952 ' ' VAL . 54.1 t -84.47 141.03 15.22 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.315 0 C-N-CA 126.378 1.871 . . . . 10.0 112.382 -171.163 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1881 ' ' ASN . . . . . . . . . . . . . 70.6 m-80 53.38 18.6 1.36 Allowed 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 126.588 1.955 . . . . 10.0 116.075 -177.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1882 ' ' LYS . . . . . 0.408 ' HA ' ' HD3' ' A' 1883 ' ' PRO . 20.1 tptm -136.31 143.21 42.66 Favored Pre-proline 0 N--CA 1.485 1.276 0 C-N-CA 125.553 1.541 . . . . 10.0 109.75 170.49 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1883 ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' 1882 ' ' LYS . 75.9 Cg_exo -56.63 134.56 65.18 Favored 'Trans proline' 0 C--O 1.243 0.747 0 C-N-CA 123.932 3.088 . . . . 10.0 112.08 -177.033 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1884 ' ' ALA . . . . . . . . . . . . . . . -120.69 161.25 21.73 Favored 'General case' 0 C--O 1.243 0.738 0 C-N-CA 125.271 1.428 . . . . 10.0 109.854 174.676 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1885 ' ' THR . . . . . . . . . . . . . 29.5 p -148.23 153.34 38.6 Favored 'General case' 0 N--CA 1.485 1.322 0 N-CA-C 114.338 1.236 . . . . 10.0 114.338 -169.083 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1886 ' ' PHE . . . . . . . . . . . . . 45.5 p90 -148.21 168.35 22.71 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.189 0.996 . . . . 10.0 111.249 168.787 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1887 ' ' THR . . . . . . . . . . . . . 95.5 m -104.23 141.26 36.59 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 124.604 1.162 . . . . 10.0 111.44 -173.375 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1888 ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -126.57 148.12 31.36 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 C-N-CA 125.942 1.697 . . . . 10.0 107.335 169.054 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1889 ' ' ASN . . . . . . . . . . . . . 42.4 t30 -122.79 63.11 0.98 Allowed 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 113.741 -1.572 . . . . 10.0 113.256 -165.255 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1890 ' ' THR . . . . . . . . . . . . . 22.1 p -68.67 1.62 3.08 Favored 'General case' 0 N--CA 1.478 0.933 0 N-CA-C 115.054 1.502 . . . . 10.0 115.054 175.333 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1891 ' ' LYS . . . . . . . . . . . . . 74.8 mttt -50.05 -51.05 45.47 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 127.542 2.337 . . . . 10.0 112.489 176.769 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 32.8 t70 -78.14 -28.07 48.34 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.185 1.394 . . . . 10.0 114.099 179.582 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1893 ' ' ALA . . . . . . . . . . . . . . . -69.09 -31.84 70.85 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.214 1.406 . . . . 10.0 112.415 172.503 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . 90.81 -9.87 76.47 Favored Glycine 0 CA--C 1.542 1.776 0 C-N-CA 125.753 1.644 . . . . 10.0 114.724 173.554 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1895 ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -151.93 155.2 37.58 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 118.793 1.296 . . . . 10.0 110.873 176.503 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1896 ' ' GLY . . . . . . . . . . . . . . . -72.48 47.38 1.14 Allowed Glycine 0 CA--C 1.552 2.387 0 C-N-CA 126.232 1.872 . . . . 10.0 115.017 173.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1897 ' ' GLY . . . . . . . . . . . . . . . -91.22 4.65 80.91 Favored Glycine 0 CA--C 1.542 1.757 0 C-N-CA 126.693 2.092 . . . . 10.0 115.932 -175.06 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1898 ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.92 169.07 13.94 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 118.85 1.325 . . . . 10.0 113.124 179.071 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1899 ' ' SER . . . . . . . . . . . . . 74.5 m -141.58 148.37 39.18 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.642 0.777 . . . . 10.0 109.83 175.355 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1900 ' ' LEU . . . . . . . . . . . . . 4.0 pp -153.2 172.33 17.12 Favored 'General case' 0 C--O 1.237 0.405 0 O-C-N 120.793 -1.192 . . . . 10.0 114.212 170.167 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1901 ' ' ALA . . . . . . . . . . . . . . . -143.31 164.6 29.78 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 125.402 1.481 . . . . 10.0 111.274 168.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1902 ' ' ILE . . . . . . . . . . . . . 2.2 mp -121.11 116.8 50.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 124.907 1.283 . . . . 10.0 108.939 170.343 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1903 ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -100.09 175.45 5.74 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 126.963 2.105 . . . . 10.0 110.426 170.244 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1904 ' ' GLY . . . . . . . . . . . . . . . 155.85 -165.63 32.68 Favored Glycine 0 CA--C 1.535 1.329 0 C-N-CA 124.155 0.884 . . . . 10.0 113.639 -170.066 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1905 ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -73.63 -19.99 20.83 Favored 'Trans proline' 0 CA--C 1.556 1.588 0 C-N-CA 124.131 3.221 . . . . 10.0 110.614 170.396 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1906 ' ' SER . . . . . . . . . . . . . 9.0 t -151.57 -178.68 6.83 Favored 'General case' 0 C--O 1.239 0.536 0 C-N-CA 128.124 2.57 . . . . 10.0 110.544 -166.724 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1907 ' ' LYS . . . . . . . . . . . . . 68.6 mttm -103.77 167.86 9.51 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 126.568 1.947 . . . . 10.0 113.099 -174.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1908 ' ' ALA . . . . . 0.48 ' HB1' ' H ' ' A' 1925 ' ' LEU . . . -143.0 159.16 42.77 Favored 'General case' 0 CA--C 1.557 1.235 0 C-N-CA 125.017 1.327 . . . . 10.0 111.687 175.311 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1909 ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -87.8 83.7 7.11 Favored 'General case' 0 N--CA 1.48 1.033 0 O-C-N 120.852 -1.155 . . . . 10.0 111.718 176.487 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1910 ' ' ILE . . . . . . . . . . . . . 15.3 mt -69.11 133.1 32.42 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.334 0 O-C-N 121.145 -0.972 . . . . 10.0 110.779 -178.297 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1911 ' ' SER . . . . . . . . . . . . . 7.4 t -146.6 170.63 16.52 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.633 1.573 . . . . 10.0 112.138 168.739 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1912 ' ' CYS . . . . . . . . . . . . . 27.4 p -138.17 160.24 39.93 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 125.85 1.66 . . . . 10.0 113.135 177.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1913 ' ' THR . . . . . . . . . . . . . 30.9 m -146.92 113.6 6.04 Favored 'General case' 0 N--CA 1.47 0.534 0 O-C-N 121.85 -0.531 . . . . 10.0 110.408 -171.609 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1914 ' ' ASP . . . . . . . . . . . . . 32.7 t70 -69.85 132.58 46.25 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.212 1.405 . . . . 10.0 109.247 167.668 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1915 ' ' ASN . . . . . . . . . . . . . 71.5 m-80 -130.97 167.06 19.65 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 125.069 1.347 . . . . 10.0 112.513 -176.241 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1916 ' ' GLN . . . . . . . . . . . . . 43.4 tt0 -59.74 -30.34 68.76 Favored 'General case' 0 CA--C 1.557 1.243 0 C-N-CA 125.285 1.434 . . . . 10.0 113.399 174.209 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1917 ' ' ASP . . . . . . . . . . . . . 35.0 t70 -75.34 -14.82 60.51 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.846 1.258 . . . . 10.0 111.893 178.317 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1918 ' ' GLY . . . . . . . . . . . . . . . 95.32 2.03 62.22 Favored Glycine 0 CA--C 1.547 2.036 0 C-N-CA 125.834 1.683 . . . . 10.0 115.022 174.355 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1919 ' ' THR . . . . . . . . . . . . . 81.1 p -70.12 166.03 20.75 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 125.916 1.686 . . . . 10.0 112.6 174.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1920 ' ' CYS . . . . . . . . . . . . . 1.1 t -106.26 6.82 31.02 Favored 'General case' 0 CA--C 1.558 1.263 0 C-N-CA 124.999 1.32 . . . . 10.0 112.689 170.038 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1921 ' ' SER . . . . . . . . . . . . . 7.1 t 14.57 92.86 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.233 1 C-N-CA 132.726 4.41 . . . . 10.0 115.993 175.613 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1922 ' ' VAL . . . . . . . . . . . . . 41.0 t -88.84 136.2 23.96 Favored 'Isoleucine or valine' 0 C--O 1.243 0.759 0 CA-C-O 122.467 1.127 . . . . 10.0 111.097 -176.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1923 ' ' SER . . . . . . . . . . . . . 62.8 p -116.17 154.69 29.59 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 126.635 1.974 . . . . 10.0 111.418 172.189 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1924 ' ' TYR . . . . . . . . . . . . . 14.1 p90 -148.92 169.28 20.92 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 126.915 2.086 . . . . 10.0 110.53 176.753 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1925 ' ' LEU . . . . . 0.48 ' H ' ' HB1' ' A' 1908 ' ' ALA . 0.3 OUTLIER -151.2 82.7 5.75 Favored Pre-proline 0 CA--C 1.56 1.335 0 O-C-N 120.671 -1.268 . . . . 10.0 110.216 -171.695 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A 1926 ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -73.12 122.99 8.5 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 123.737 2.958 . . . . 10.0 111.203 -176.276 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1927 ' ' VAL . . . . . . . . . . . . . 27.1 m -78.38 -14.65 13.88 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.146 0 O-C-N 121.026 -1.047 . . . . 10.0 113.736 -177.546 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1928 ' ' LEU . . . . . . . . . . . . . 20.0 mt -145.58 160.65 43.95 Favored Pre-proline 0 CA--C 1.539 0.54 0 C-N-CA 125.485 1.514 . . . . 10.0 112.074 177.437 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1929 ' ' PRO . . . . . . . . . . . . . 27.5 Cg_exo -58.98 154.42 44.98 Favored 'Trans proline' 0 C--N 1.354 0.824 0 C-N-CA 123.224 2.616 . . . . 10.0 113.36 172.117 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1930 ' ' GLY . . . . . . . . . . . . . . . 165.43 178.09 38.27 Favored Glycine 0 CA--C 1.534 1.276 0 N-CA-C 117.074 1.59 . . . . 10.0 117.074 176.773 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1931 ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -99.61 93.12 5.68 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 124.858 1.263 . . . . 10.0 108.54 171.708 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1932 ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -93.3 106.09 18.09 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.48 1.112 . . . . 10.0 111.677 -170.742 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1933 ' ' SER . . . . . . . . . . . . . 75.7 m -73.66 106.72 5.54 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.299 1.04 . . . . 10.0 111.02 179.037 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1934 ' ' ILE . . . . . . . . . . . . . 3.2 mm -79.05 119.4 28.23 Favored 'Isoleucine or valine' 0 C--O 1.244 0.81 0 N-CA-C 107.986 -1.116 . . . . 10.0 107.986 169.709 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1935 ' ' LEU . . . . . . . . . . . . . 4.5 mm? -107.87 90.82 3.42 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 126.36 1.864 . . . . 10.0 108.529 -178.163 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1936 ' ' VAL . . . . . . . . . . . . . 15.2 t -93.64 139.45 18.25 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.331 0 C-N-CA 124.571 1.148 . . . . 10.0 110.18 -179.321 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1937 ' ' LYS . . . . . . . . . . . . . 99.0 mttt -131.0 153.34 49.34 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 127.583 2.353 . . . . 10.0 113.087 179.52 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1938 ' ' TYR . . . . . . . . . . . . . 7.1 t80 -143.32 120.89 11.75 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 124.321 1.048 . . . . 10.0 109.36 165.173 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1939 ' ' ASN . . . . . . . . . . . . . 6.8 t30 48.26 78.81 0.08 Allowed 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 127.713 2.405 . . . . 10.0 112.976 -172.547 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1940 ' ' GLU . . . . . . . . . . . . 0.306 10.1 pt-20 52.64 8.99 0.1 Allowed 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 129.438 3.095 . . . . 10.0 118.773 173.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1941 ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -132.82 159.37 40.0 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.115 1.366 . . . . 10.0 112.373 169.587 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1942 ' ' HIS . . . . . . . . . . . . . 68.3 m80 -69.66 155.69 40.12 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-O 121.914 0.864 . . . . 10.0 112.812 176.326 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1943 ' ' VAL . . . . . 0.411 HG13 ' H ' ' A' 1945 ' ' GLY . 0.5 OUTLIER -75.45 165.54 52.75 Favored Pre-proline 0 CA--C 1.545 0.758 0 CA-C-N 114.739 -1.119 . . . . 10.0 112.801 -179.832 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A 1944 ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -63.9 -26.13 67.08 Favored 'Trans proline' 0 CA--C 1.533 0.449 0 C-N-CA 125.193 3.929 . . . . 10.0 116.167 -174.605 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1945 ' ' GLY . . . . . 0.411 ' H ' HG13 ' A' 1943 ' ' VAL . . . -95.95 -15.99 40.27 Favored Glycine 0 CA--C 1.542 1.733 0 C-N-CA 125.671 1.605 . . . . 10.0 114.166 179.753 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1946 ' ' SER . . . . . . . . . . . . . 38.6 m -72.08 152.49 92.7 Favored Pre-proline 0 C--O 1.245 0.851 0 C-N-CA 126.053 1.741 . . . . 10.0 112.921 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1947 ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -73.19 157.28 99.22 Favored 'Cis proline' 0 C--N 1.356 0.959 0 CA-C-N 119.152 0.733 . . . . 10.0 112.668 -14.408 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1948 ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -101.72 -15.01 17.12 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 115.629 1.715 . . . . 10.0 115.629 -170.548 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1949 ' ' THR . . . . . . . . . . . . . 15.5 m 27.73 80.37 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.605 0 C-N-CA 128.895 2.878 . . . . 10.0 114.935 -177.58 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1950 ' ' ALA . . . . . . . . . . . . . . . -72.54 162.23 29.75 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.706 1.202 . . . . 10.0 112.79 179.236 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1951 ' ' ARG . . . . . . . . . . . . . 18.2 ttt-85 -127.64 85.63 2.38 Favored 'General case' 0 N--CA 1.481 1.089 0 CA-C-O 123.328 1.537 . . . . 10.0 113.532 -174.517 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1952 ' ' VAL . . . . . 0.508 HG12 HG23 ' A' 1880 ' ' VAL . 2.9 t -70.19 109.6 2.85 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 C-N-CA 127.795 2.438 . . . . 10.0 112.209 179.375 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1953 ' ' THR . . . . . . . . . . . . . 93.9 m -78.94 133.39 36.91 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.518 1.527 . . . . 10.0 111.747 174.609 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1954 ' ' GLY . . . . . . . . . . . . . . . -78.16 76.52 1.78 Allowed Glycine 0 CA--C 1.528 0.88 0 C-N-CA 125.335 1.445 . . . . 10.0 112.282 174.723 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1955 ' ' ASP . . . . . . . . . . . . . 27.7 t70 -77.48 -25.54 50.55 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 113.357 0.873 . . . . 10.0 113.357 178.143 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1956 ' ' ASP . . . . . . . . . . . . . 33.9 t70 . . . . . 0 C--O 1.261 1.705 0 C-N-CA 126.987 2.115 . . . . 10.0 114.602 177.133 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.414 0 N-CA-C 111.441 -0.664 . . . . 10.0 111.441 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' -3' ' ' ALA . . . . . . . . . . . . . . . -142.31 170.2 16.15 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 125.983 1.713 . . . . 10.0 111.764 176.628 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 76.4 mtm -64.54 -8.39 13.75 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 114.496 1.295 . . . . 10.0 114.496 -178.527 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' -1' ' ' VAL . . . . . . . . . . . . . 50.2 t -61.79 -25.91 38.35 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 126.961 2.104 . . . . 10.0 112.874 179.239 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1863 ' ' VAL . . . . . . . . . . . . . 13.6 p -127.44 141.64 45.78 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 125.835 1.654 . . . . 10.0 110.897 -179.621 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1864 ' ' ASN . . . . . . . . . . . . . 64.3 m-80 -140.92 170.33 15.93 Favored 'General case' 0 CA--C 1.555 1.156 0 C-N-CA 125.484 1.514 . . . . 10.0 111.068 -171.736 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1865 ' ' CYS . . . . . . . . . . . . . 74.8 m -84.6 -4.19 58.86 Favored 'General case' 0 N--CA 1.486 1.351 0 N-CA-C 115.007 1.484 . . . . 10.0 115.007 -176.648 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1866 ' ' GLY . . . . . . . . . . . . . . . 88.45 176.9 47.2 Favored Glycine 0 N--CA 1.477 1.394 0 C-N-CA 124.946 1.26 . . . . 10.0 115.305 174.248 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1867 ' ' HIS . . . . . . . . . . . . . 29.6 t-80 -150.98 175.4 12.11 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 126.547 1.939 . . . . 10.0 112.236 -176.103 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1868 ' ' VAL . . . . . . . . . . . . . 6.4 p -63.79 137.79 24.14 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.316 0 O-C-N 120.246 -1.534 . . . . 10.0 110.863 167.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1869 ' ' THR . . . . . . . . . . . . . 42.4 p -144.29 172.52 12.81 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 125.326 1.451 . . . . 10.0 111.163 -178.193 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1870 ' ' ALA . . . . . . . . . . . . . . . -130.29 120.56 24.58 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.383 1.073 . . . . 10.0 109.562 170.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1871 ' ' TYR . . . . . . . . . . . . . 48.0 p90 -148.29 156.46 42.56 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 125.081 1.352 . . . . 10.0 112.423 -177.524 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1872 ' ' GLY . . . . . . . . . . . . . . . 136.38 175.46 13.82 Favored Glycine 0 CA--C 1.54 1.625 0 C-N-CA 125.547 1.546 . . . . 10.0 114.498 174.117 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1873 ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -65.4 -27.48 54.88 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 123.65 2.9 . . . . 10.0 113.22 -177.068 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1874 ' ' GLY . . . . . . . . . . . . . . . -69.22 -4.47 43.57 Favored Glycine 0 CA--C 1.549 2.169 0 N-CA-C 115.633 1.013 . . . . 10.0 115.633 177.124 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1875 ' ' LEU . . . . . . . . . . . . . 18.5 mt -103.43 -7.1 21.23 Favored 'General case' 0 CA--C 1.556 1.19 0 CA-C-N 119.742 1.771 . . . . 10.0 113.036 171.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1876 ' ' THR . . . . . . . . . . . . . 68.7 p -111.86 -41.12 4.08 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.267 1.027 . . . . 10.0 112.208 -176.487 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1877 ' ' HIS . . . . . . . . . . . . . 43.3 p-80 -143.27 -176.94 5.13 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 126.931 2.092 . . . . 10.0 112.042 178.498 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1878 ' ' GLY . . . . . . . . . . . . . . . -154.16 169.68 32.64 Favored Glycine 0 CA--C 1.537 1.468 0 C-N-CA 124.063 0.839 . . . . 10.0 113.468 170.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1879 ' ' VAL . . . . . . . . . . . . . 6.2 t -120.59 104.74 15.8 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.36 0 C-N-CA 125.692 1.597 . . . . 10.0 108.841 -178.072 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1880 ' ' VAL . . . . . . . . . . . . . 72.8 t -57.18 122.1 5.88 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 C-N-CA 123.632 0.773 . . . . 10.0 112.093 -178.798 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1881 ' ' ASN . . . . . . . . . . . . 0.253 64.7 m-80 67.78 11.23 8.27 Favored 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 127.826 2.45 . . . . 10.0 116.478 -177.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1882 ' ' LYS . . . . . . . . . . . . . 47.7 mtmt -128.74 151.58 77.4 Favored Pre-proline 0 CA--C 1.541 0.596 0 C-N-CA 124.576 1.151 . . . . 10.0 112.413 167.523 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1883 ' ' PRO . . . . . . . . . . . . . 39.8 Cg_exo -64.15 153.43 76.36 Favored 'Trans proline' 0 CA--C 1.544 0.977 0 C-N-CA 123.566 2.844 . . . . 10.0 111.698 -166.672 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1884 ' ' ALA . . . . . . . . . . . . . . . -141.75 156.75 45.58 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.458 1.103 . . . . 10.0 111.213 175.049 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1885 ' ' THR . . . . . . . . . . . . . 46.1 p -146.81 159.56 43.36 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.923 1.289 . . . . 10.0 112.521 -171.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1886 ' ' PHE . . . . . . . . . . . . . 48.5 p90 -150.23 172.3 15.56 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 125.611 1.564 . . . . 10.0 110.369 168.127 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1887 ' ' THR . . . . . . . . . . . . . 58.6 m -118.43 133.54 55.79 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 124.879 1.272 . . . . 10.0 110.865 -175.113 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1888 ' ' VAL . . . . . . . . . . . . . 1.5 m -126.3 82.3 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 CA-C-O 125.32 2.485 . . . . 10.0 108.098 171.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1889 ' ' ASN . . . . . . . . . . . . . 57.3 t30 -62.4 75.09 0.02 OUTLIER 'General case' 0 C--N 1.312 -1.037 0 C-N-CA 129.145 2.978 . . . . 10.0 113.024 177.307 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1890 ' ' THR . . . . . . . . . . . . . 16.8 p -76.03 35.23 0.13 Allowed 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 127.405 2.282 . . . . 10.0 113.544 174.423 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1891 ' ' LYS . . . . . . . . . . . . . 19.3 ptmt -30.13 -56.4 0.18 Allowed 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 130.438 3.495 . . . . 10.0 115.474 -170.373 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -125.82 4.02 7.39 Favored 'General case' 0 CA--C 1.555 1.155 0 C-N-CA 126.963 2.105 . . . . 10.0 113.228 172.03 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1893 ' ' ALA . . . . . . . . . . . . . . . -76.16 -4.19 40.31 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 129.051 2.941 . . . . 10.0 113.74 173.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -73.44 6.64 15.33 Favored Glycine 0 N--CA 1.475 1.281 0 C-N-CA 126.348 1.928 . . . . 10.0 115.404 -171.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1895 ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -69.32 -5.63 24.47 Favored 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 116.177 1.918 . . . . 10.0 116.177 -177.131 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1896 ' ' GLY . . . . . . . . . . . . . . . -154.83 -20.95 0.04 OUTLIER Glycine 0 N--CA 1.475 1.294 0 CA-C-O 118.327 -1.263 . . . . 10.0 114.547 172.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1897 ' ' GLY . . . . . . . . . . . . . . . 85.19 150.22 12.6 Favored Glycine 0 CA--C 1.532 1.134 0 C-N-CA 125.725 1.631 . . . . 10.0 114.065 178.691 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1898 ' ' LEU . . . . . . . . . . . . . 1.6 pp -89.87 -175.02 4.48 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 114.19 1.182 . . . . 10.0 114.19 176.015 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1899 ' ' SER . . . . . . . . . . . . . 23.7 t -147.23 149.67 33.37 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 125.593 1.557 . . . . 10.0 110.097 170.464 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1900 ' ' LEU . . . . . . . . . . . . . 4.4 pp -153.17 167.79 28.13 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.909 1.684 . . . . 10.0 111.611 171.194 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1901 ' ' ALA . . . . . . . . . . . . . . . -144.0 169.19 18.3 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.929 0.892 . . . . 10.0 112.102 169.154 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1902 ' ' ILE . . . . . . . . . . . . . 3.5 mp -121.63 135.01 63.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 C-N-CA 124.44 1.096 . . . . 10.0 108.877 173.495 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1903 ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -129.05 176.11 8.16 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 128.418 2.687 . . . . 10.0 111.374 176.094 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1904 ' ' GLY . . . . . . . . . . . . . . . 160.15 -154.5 25.54 Favored Glycine 0 CA--C 1.538 1.495 0 C-N-CA 124.001 0.81 . . . . 10.0 113.076 -178.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1905 ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -72.14 -13.34 28.5 Favored 'Trans proline' 0 CA--C 1.547 1.128 0 C-N-CA 122.17 1.913 . . . . 10.0 111.949 168.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1906 ' ' SER . . . . . . . . . . . . . 23.2 t -151.35 -174.25 4.76 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 128.733 2.813 . . . . 10.0 110.03 -168.344 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1907 ' ' LYS . . . . . . . . . . . . . 34.2 tptt -129.92 166.08 20.75 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 126.031 1.733 . . . . 10.0 111.983 -174.608 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1908 ' ' ALA . . . . . . . . . . . . . . . -135.75 159.64 41.03 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 127.156 2.182 . . . . 10.0 112.972 -177.384 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1909 ' ' GLU . . . . . . . . . . . . . 72.8 tt0 -85.0 78.55 9.89 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 124.371 1.068 . . . . 10.0 111.465 178.232 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1910 ' ' ILE . . . . . . . . . . . . . 20.0 mt -69.16 130.12 33.95 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 C-N-CA 125.156 1.382 . . . . 10.0 110.708 -178.682 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1911 ' ' SER . . . . . . . . . . . . . 11.0 t -146.63 152.36 38.76 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 123.418 0.687 . . . . 10.0 111.457 172.55 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1912 ' ' CYS . . . . . . . . . . . . . 60.0 m -125.51 154.49 42.03 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 124.034 0.934 . . . . 10.0 112.483 -171.316 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1913 ' ' THR . . . . . . . . . . . . . 62.0 m -131.3 143.5 50.58 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.106 0.962 . . . . 10.0 111.345 -176.371 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1914 ' ' ASP . . . . . . . . . . . . . 14.8 t0 -144.34 95.3 2.69 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 126.087 1.755 . . . . 10.0 111.089 178.183 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1915 ' ' ASN . . . . . . . . . . . . . 26.2 m120 -133.65 -155.14 0.65 Allowed 'General case' 0 CA--C 1.554 1.109 0 C-N-CA 126.85 2.06 . . . . 10.0 110.563 178.748 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1916 ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -45.37 -35.65 3.74 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 127.651 2.38 . . . . 10.0 115.5 -170.405 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1917 ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -75.88 -14.43 60.27 Favored 'General case' 0 CA--C 1.547 0.827 0 O-C-N 120.16 -1.588 . . . . 10.0 113.786 -178.587 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1918 ' ' GLY . . . . . . . . . . . . . . . 71.55 4.3 56.97 Favored Glycine 0 CA--C 1.537 1.419 0 C-N-CA 124.4 1.0 . . . . 10.0 115.596 174.546 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1919 ' ' THR . . . . . . . . . . . . . 65.0 p -71.45 175.05 5.81 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 126.231 1.812 . . . . 10.0 112.821 179.17 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1920 ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -106.26 22.51 15.62 Favored 'General case' 0 CA--C 1.549 0.922 0 O-C-N 121.463 -0.773 . . . . 10.0 111.634 171.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1921 ' ' SER . . . . . . . . . . . . . 21.6 m -40.94 133.65 2.11 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 128.24 2.616 . . . . 10.0 114.454 -168.693 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1922 ' ' VAL . . . . . . . . . . . . . 28.7 t -123.14 132.79 70.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 124.424 1.09 . . . . 10.0 110.353 -171.318 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1923 ' ' SER . . . . . . . . . . . . . 23.1 t -110.35 151.77 27.03 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 126.173 1.789 . . . . 10.0 110.529 169.534 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1924 ' ' TYR . . . . . . . . . . . . . 15.7 p90 -150.92 170.85 18.32 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 124.568 1.147 . . . . 10.0 111.367 174.559 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1925 ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -149.34 97.22 3.58 Favored Pre-proline 0 CA--C 1.538 0.51 0 C-N-CA 124.8 1.24 . . . . 10.0 108.84 -174.715 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1926 ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -72.82 150.43 49.71 Favored 'Trans proline' 0 CA--C 1.533 0.437 0 C-N-CA 123.497 2.798 . . . . 10.0 112.196 177.253 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1927 ' ' VAL . . . . . . . . . . . . . 33.3 m -116.08 -7.23 12.08 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.212 0 N-CA-C 114.889 1.44 . . . . 10.0 114.889 -178.055 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1928 ' ' LEU . . . . . . . . . . . . . 1.8 tt -148.16 143.59 17.76 Favored Pre-proline 0 N--CA 1.474 0.758 0 C-N-CA 125.278 1.431 . . . . 10.0 110.138 -178.35 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1929 ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -57.79 152.3 50.62 Favored 'Trans proline' 0 CA--C 1.541 0.845 0 C-N-CA 124.482 3.454 . . . . 10.0 113.825 177.587 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1930 ' ' GLY . . . . . . . . . . . . . . . 168.7 -178.78 41.95 Favored Glycine 0 N--CA 1.47 0.902 0 N-CA-C 116.218 1.247 . . . . 10.0 116.218 172.273 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1931 ' ' ASP . . . . . . . . . . . . . 17.9 p-10 -102.96 73.41 1.25 Allowed 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 127.097 2.159 . . . . 10.0 109.594 172.428 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1932 ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -66.32 158.07 30.07 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.084 1.354 . . . . 10.0 111.612 -175.399 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1933 ' ' SER . . . . . . . . . . . . . 31.9 t -120.01 117.15 27.27 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 126.553 1.941 . . . . 10.0 110.974 179.47 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1934 ' ' ILE . . . . . . . . . . . . . 3.5 mm -87.92 108.74 18.82 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 C-N-CA 123.638 0.775 . . . . 10.0 109.354 170.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1935 ' ' LEU . . . . . . . . . . . . . 2.8 mm? -86.99 87.89 7.57 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.357 1.463 . . . . 10.0 108.345 175.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1936 ' ' VAL . . . . . . . . . . . . . 19.1 t -90.08 139.72 17.07 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 CA-C-N 119.479 1.036 . . . . 10.0 110.72 177.211 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1937 ' ' LYS . . . . . . . . . . . . . 62.3 mttm -125.47 168.39 13.68 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 125.511 1.524 . . . . 10.0 111.821 170.545 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1938 ' ' TYR . . . . . . . . . . . . . 82.4 t80 -134.83 128.97 33.77 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.119 0.967 . . . . 10.0 109.745 163.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1939 ' ' ASN . . . . . . . . . . . . . 19.1 t-20 60.49 -59.97 0.07 Allowed 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 129.153 2.981 . . . . 10.0 114.217 -171.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1940 ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -152.32 -10.61 0.18 Allowed 'General case' 0 CA--C 1.555 1.137 0 N-CA-C 116.33 1.974 . . . . 10.0 116.33 -179.399 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1941 ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -137.02 159.37 42.08 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 125.371 1.469 . . . . 10.0 112.016 -173.162 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1942 ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -63.4 147.01 52.38 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 113.496 0.924 . . . . 10.0 113.496 -169.434 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1943 ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -67.18 161.58 62.44 Favored Pre-proline 0 CA--C 1.549 0.939 0 C-N-CA 126.201 1.8 . . . . 10.0 113.358 -177.441 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1944 ' ' PRO . . . . . . . . . . . . . 41.0 Cg_exo -59.24 -11.41 13.09 Favored 'Trans proline' 0 CA--C 1.537 0.634 0 C-N-CA 125.227 3.952 . . . . 10.0 118.016 -170.091 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1945 ' ' GLY . . . . . . . . . . . . . . . -132.2 1.66 4.97 Favored Glycine 0 CA--C 1.529 0.96 0 C-N-CA 128.34 2.876 . . . . 10.0 115.999 177.608 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1946 ' ' SER . . . . . . . . . . . . . 3.5 m -66.13 152.88 93.2 Favored Pre-proline 0 C--O 1.243 0.728 0 CA-C-N 119.779 1.79 . . . . 10.0 112.818 177.175 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1947 ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -78.69 168.34 75.29 Favored 'Cis proline' 0 CA--C 1.555 1.568 0 CA-C-N 119.355 0.805 . . . . 10.0 112.337 -5.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1948 ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -116.65 112.22 20.96 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 125.004 1.322 . . . . 10.0 111.138 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1949 ' ' THR . . . . . . . . . . . . . 57.5 m -73.97 110.14 8.02 Favored 'General case' 0 N--CA 1.49 1.575 0 C-N-CA 125.839 1.656 . . . . 10.0 111.635 173.466 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1950 ' ' ALA . . . . . . . . . . . . . . . -112.08 118.46 35.46 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.793 1.237 . . . . 10.0 112.408 179.561 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1951 ' ' ARG . . . . . . . . . . . . . 11.0 ttm180 -80.84 78.89 7.58 Favored 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 114.425 1.268 . . . . 10.0 114.425 -176.66 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1952 ' ' VAL . . . . . . . . . . . . . 46.6 t -56.7 94.97 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 C-N-CA 128.192 2.597 . . . . 10.0 110.9 168.416 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1953 ' ' THR . . . . . . . . . . . . . 61.5 m -89.18 133.02 34.58 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.253 1.021 . . . . 10.0 112.467 -168.569 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1954 ' ' GLY . . . . . . . . . . . . . . . -82.89 92.41 1.63 Allowed Glycine 0 N--CA 1.468 0.817 0 C-N-CA 126.387 1.946 . . . . 10.0 111.968 176.237 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1955 ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -68.59 -21.88 64.49 Favored 'General case' 0 N--CA 1.483 1.201 0 N-CA-C 113.845 1.054 . . . . 10.0 113.845 -176.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1956 ' ' ASP . . . . . . . . . . . . . 28.6 t70 . . . . . 0 C--O 1.254 1.306 0 C-N-CA 128.833 2.853 . . . . 10.0 111.975 173.009 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.445 0 N-CA-C 111.358 -0.697 . . . . 10.0 111.358 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' -3' ' ' ALA . . . . . . . . . . . . . . . -145.73 175.84 10.09 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 125.253 1.421 . . . . 10.0 111.421 177.491 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 63.2 mtt -134.17 164.74 26.67 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 125.643 1.577 . . . . 10.0 111.742 -179.339 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' -1' ' ' VAL . . . . . . . . . . . . . 21.2 t -113.85 -13.03 11.58 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 C-N-CA 125.321 1.448 . . . . 10.0 112.489 -177.479 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1863 ' ' VAL . . . . . . . . . . . . . 9.0 t 59.6 71.82 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 127.446 2.298 . . . . 10.0 110.108 -172.744 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1864 ' ' ASN . . . . . . . . . . . . . 22.8 t-20 36.02 -87.25 0.01 OUTLIER 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 129.848 3.259 . . . . 10.0 116.561 176.004 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1865 ' ' CYS . . . . . . . . . . . . . 27.8 p -64.32 -19.26 65.32 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.369 1.468 . . . . 10.0 114.64 178.205 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1866 ' ' GLY . . . . . . . . . . . . . . . 77.89 118.23 0.2 Allowed Glycine 0 CA--C 1.531 1.066 0 C-N-CA 125.303 1.43 . . . . 10.0 113.338 -179.363 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1867 ' ' HIS . . . . . . . . . . . . . 45.1 m170 -58.8 147.36 33.76 Favored 'General case' 0 C--O 1.241 0.622 0 CA-C-O 122.364 1.078 . . . . 10.0 111.829 172.145 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1868 ' ' VAL . . . . . . . . . . . . . 11.3 m -68.39 162.91 3.34 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.197 0 C-N-CA 124.299 1.04 . . . . 10.0 110.789 -179.426 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1869 ' ' THR . . . . . . . . . . . . . 16.7 p -139.28 166.27 24.99 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.19 1.396 . . . . 10.0 112.597 -176.714 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1870 ' ' ALA . . . . . . . . . . . . . . . -130.1 145.17 51.67 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 126.666 1.986 . . . . 10.0 111.211 177.131 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1871 ' ' TYR . . . . . . . . . . . . . 48.6 p90 -153.95 172.68 17.05 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 125.233 1.413 . . . . 10.0 111.737 -171.686 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1872 ' ' GLY . . . . . . . . . . . . . . . 111.18 170.05 19.06 Favored Glycine 0 N--CA 1.48 1.587 0 C-N-CA 125.591 1.567 . . . . 10.0 115.411 176.786 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1873 ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -71.47 -23.73 23.25 Favored 'Trans proline' 0 C--N 1.355 0.912 0 C-N-CA 123.778 2.985 . . . . 10.0 113.985 -172.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1874 ' ' GLY . . . . . . . . . . . . . . . -70.13 -6.29 56.49 Favored Glycine 0 CA--C 1.534 1.251 0 O-C-N 120.307 -1.496 . . . . 10.0 113.728 175.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1875 ' ' LEU . . . . . . . . . . . . . 42.7 mt -81.58 -17.11 49.44 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 119.332 1.566 . . . . 10.0 112.134 169.819 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1876 ' ' THR . . . . . . . . . . . . . 82.1 p -126.18 -19.09 4.81 Favored 'General case' 0 N--CA 1.485 1.308 0 N-CA-C 114.896 1.443 . . . . 10.0 114.896 -176.371 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1877 ' ' HIS . . . . . . . . . . . . . 43.8 t60 -130.88 175.36 9.12 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 125.663 1.585 . . . . 10.0 110.881 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1878 ' ' GLY . . . . . . . . . . . . . . . -167.32 169.13 40.88 Favored Glycine 0 CA--C 1.542 1.763 0 O-C-N 120.293 -1.504 . . . . 10.0 113.992 -179.185 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1879 ' ' VAL . . . . . . . . . . . . . 11.0 p -137.35 154.93 31.01 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.157 0 C-N-CA 127.247 2.219 . . . . 10.0 109.313 171.788 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1880 ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -121.49 149.87 24.64 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.215 0 N-CA-C 114.259 1.207 . . . . 10.0 114.259 -169.231 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1881 ' ' ASN . . . . . . . . . . . . . 20.6 m120 61.27 0.25 0.41 Allowed 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 127.747 2.419 . . . . 10.0 114.258 -168.594 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1882 ' ' LYS . . . . . . . . . . . . . 48.5 mtmt -128.72 157.72 74.42 Favored Pre-proline 0 CA--C 1.543 0.684 0 C-N-CA 126.366 1.866 . . . . 10.0 109.935 167.351 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1883 ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -67.14 140.15 52.99 Favored 'Trans proline' 0 N--CA 1.447 -1.223 0 C-N-CA 124.624 3.549 . . . . 10.0 113.43 -168.155 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1884 ' ' ALA . . . . . . . . . . . . . . . -106.6 150.72 25.9 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-O 122.583 1.183 . . . . 10.0 110.27 168.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1885 ' ' THR . . . . . . . . . . . . . 49.1 p -147.92 161.09 42.02 Favored 'General case' 0 N--CA 1.474 0.766 0 O-C-N 120.813 -1.179 . . . . 10.0 112.119 -175.339 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1886 ' ' PHE . . . . . . . . . . . . . 51.1 p90 -150.78 177.53 10.0 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 127.284 2.234 . . . . 10.0 110.451 169.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1887 ' ' THR . . . . . . . . . . . . . 24.2 m -126.17 154.9 42.56 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 123.493 0.717 . . . . 10.0 111.067 -176.767 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1888 ' ' VAL . . . . . 0.735 ' CG2' ' H ' ' A' 1920 ' ' CYS . 15.8 m -133.43 -179.04 3.01 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 C-N-CA 126.164 1.786 . . . . 10.0 109.365 177.256 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1889 ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -137.02 63.94 1.55 Allowed 'General case' 0 C--O 1.244 0.8 0 CA-C-O 123.493 1.616 . . . . 10.0 110.641 168.337 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1890 ' ' THR . . . . . . . . . . . . . 17.6 p -80.24 66.84 5.88 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 128.315 2.646 . . . . 10.0 111.11 -176.521 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1891 ' ' LYS . . . . . . . . . . . . . 25.6 pttm -64.19 -26.88 68.72 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 116.985 2.216 . . . . 10.0 116.985 -169.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 29.8 t70 -137.62 9.12 2.87 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 126.184 1.794 . . . . 10.0 113.253 -178.142 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1893 ' ' ALA . . . . . . . . . . . . . . . -60.06 -22.64 62.96 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 117.773 2.509 . . . . 10.0 117.773 -169.453 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -58.61 -21.06 48.93 Favored Glycine 0 CA--C 1.543 1.828 0 C-N-CA 125.437 1.494 . . . . 10.0 113.968 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1895 ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -129.05 7.15 5.48 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 126.666 1.986 . . . . 10.0 112.661 174.644 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1896 ' ' GLY . . . . . . . . . . . . . . . -103.11 -25.26 7.56 Favored Glycine 0 N--CA 1.482 1.706 0 C-N-CA 127.151 2.31 . . . . 10.0 116.628 -176.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1897 ' ' GLY . . . . . . . . . . . . . . . 99.6 50.92 1.35 Allowed Glycine 0 CA--C 1.529 0.962 0 C-N-CA 125.946 1.736 . . . . 10.0 113.684 170.358 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1898 ' ' LEU . . . . . . . . . . . . . 3.1 tm? -76.07 135.35 39.9 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 124.689 1.196 . . . . 10.0 111.062 169.205 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1899 ' ' SER . . . . . . . . . . . . . 23.0 t -151.19 146.41 26.08 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 125.448 1.499 . . . . 10.0 110.023 168.784 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1900 ' ' LEU . . . . . . . . . . . . . 3.9 pp -151.69 164.5 36.8 Favored 'General case' 0 C--O 1.239 0.529 0 C-N-CA 124.467 1.107 . . . . 10.0 113.924 174.241 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1901 ' ' ALA . . . . . . . . . . . . . . . -151.47 171.12 18.04 Favored 'General case' 0 CA--C 1.554 1.107 0 C-N-CA 124.786 1.234 . . . . 10.0 111.11 169.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1902 ' ' ILE . . . . . . . . . . . . . 1.8 mp -114.57 136.47 51.09 Favored 'Isoleucine or valine' 0 C--O 1.238 0.466 0 C-N-CA 125.619 1.568 . . . . 10.0 108.85 170.369 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1903 ' ' GLU . . . . . . . . . . . . . 87.9 mt-10 -113.08 165.99 11.84 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 127.005 2.122 . . . . 10.0 111.42 169.612 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1904 ' ' GLY . . . . . . . . . . . . . . . 166.24 -165.38 38.18 Favored Glycine 0 CA--C 1.535 1.287 0 O-C-N 121.766 -0.584 . . . . 10.0 112.759 -178.38 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1905 ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -73.43 -22.65 18.3 Favored 'Trans proline' 0 CA--C 1.538 0.694 0 C-N-CA 121.909 1.74 . . . . 10.0 113.581 178.327 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1906 ' ' SER . . . . . . . . . . . . . 10.1 t -142.13 10.41 1.93 Allowed 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 126.181 1.792 . . . . 10.0 113.657 -168.595 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1907 ' ' LYS . . . . . . . . . . . . . 37.9 ttmt 37.35 91.19 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 129.949 3.3 . . . . 10.0 115.856 171.131 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1908 ' ' ALA . . . . . . . . . . . . . . . -54.54 147.27 14.46 Favored 'General case' 0 CA--C 1.553 1.084 0 N-CA-C 114.382 1.253 . . . . 10.0 114.382 -175.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1909 ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -83.12 113.99 21.01 Favored 'General case' 0 CA--C 1.536 0.434 0 O-C-N 120.716 -1.24 . . . . 10.0 112.903 -178.741 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1910 ' ' ILE . . . . . . . . . . . . . 30.1 mm -76.28 135.36 27.02 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.49 0 C-N-CA 125.306 1.442 . . . . 10.0 110.707 -176.286 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1911 ' ' SER . . . . . . . . . . . . . 15.5 t -142.96 167.37 22.22 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 127.221 2.209 . . . . 10.0 110.736 169.533 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1912 ' ' CYS . . . . . . . . . . . . . 28.5 p -151.35 167.21 28.62 Favored 'General case' 0 CA--C 1.541 0.609 0 O-C-N 120.271 -1.518 . . . . 10.0 113.969 -178.337 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1913 ' ' THR . . . . . . . . . . . . . 23.0 m -135.44 157.61 46.45 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 127.422 2.289 . . . . 10.0 110.126 176.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1914 ' ' ASP . . . . . . . . . . . . . 5.2 t0 -57.6 153.65 12.78 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 124.959 1.304 . . . . 10.0 112.146 175.165 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1915 ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -64.43 178.17 0.77 Allowed 'General case' 0 CA--C 1.556 1.187 0 C-N-CA 126.258 1.823 . . . . 10.0 114.163 179.391 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1916 ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -130.45 -54.24 1.09 Allowed 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.568 1.547 . . . . 10.0 112.426 172.629 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1917 ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -134.17 11.55 3.88 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 126.362 1.865 . . . . 10.0 113.733 -178.401 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1918 ' ' GLY . . . . . . . . . . . . . . . 105.47 57.69 0.66 Allowed Glycine 0 CA--C 1.544 1.87 0 C-N-CA 124.752 1.168 . . . . 10.0 112.882 -173.036 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1919 ' ' THR . . . . . . . . . . . . . 6.3 t -146.85 150.03 34.46 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.706 1.202 . . . . 10.0 112.995 175.308 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1920 ' ' CYS . . . . . 0.735 ' H ' ' CG2' ' A' 1888 ' ' VAL . 5.5 t -92.08 94.73 9.38 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 130.515 3.526 . . . . 10.0 110.129 -175.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1921 ' ' SER . . . . . . . . . . . . . 71.0 m -75.2 72.82 2.3 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.082 1.353 . . . . 10.0 112.465 179.299 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1922 ' ' VAL . . . . . . . . . . . . . 79.8 t -80.23 125.36 39.02 Favored 'Isoleucine or valine' 0 C--O 1.247 0.958 0 C-N-CA 126.316 1.846 . . . . 10.0 111.152 177.26 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1923 ' ' SER . . . . . . . . . . . . . 68.5 m -117.24 121.52 41.43 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 125.121 1.369 . . . . 10.0 108.602 169.5 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1924 ' ' TYR . . . . . . . . . . . . . 28.0 p90 -121.04 145.93 47.25 Favored 'General case' 0 CA--C 1.536 0.432 0 O-C-N 121.048 -1.032 . . . . 10.0 111.423 177.179 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1925 ' ' LEU . . . . . . . . . . . . . 1.8 mt -120.62 94.28 48.77 Favored Pre-proline 0 CA--C 1.549 0.927 0 C-N-CA 124.64 1.176 . . . . 10.0 111.701 -173.664 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1926 ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -71.98 133.8 22.26 Favored 'Trans proline' 0 CA--C 1.545 1.072 0 C-N-CA 122.307 2.005 . . . . 10.0 109.563 169.068 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1927 ' ' VAL . . . . . . . . . . . . . 31.4 m -103.52 -17.64 7.06 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 C-N-CA 124.499 1.12 . . . . 10.0 113.532 -173.729 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1928 ' ' LEU . . . . . . . . . . . . . 1.3 mp -138.23 150.74 67.85 Favored Pre-proline 0 CA--C 1.555 1.15 0 C-N-CA 125.113 1.365 . . . . 10.0 111.421 169.549 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1929 ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -57.08 158.11 18.75 Favored 'Trans proline' 0 N--CA 1.478 0.611 0 C-N-CA 123.047 2.498 . . . . 10.0 113.959 -178.009 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1930 ' ' GLY . . . . . . . . . . . . . . . 166.9 179.08 39.78 Favored Glycine 0 CA--C 1.533 1.187 0 N-CA-C 116.355 1.302 . . . . 10.0 116.355 -176.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1931 ' ' ASP . . . . . . . . . . . . . 10.9 t70 -109.78 68.52 0.67 Allowed 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 127.325 2.25 . . . . 10.0 109.05 179.752 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1932 ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -68.56 159.51 31.74 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 125.135 1.374 . . . . 10.0 111.952 -170.693 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1933 ' ' SER . . . . . . . . . . . . . 49.9 m -116.6 135.5 53.75 Favored 'General case' 0 N--CA 1.478 0.949 0 O-C-N 121.223 -0.923 . . . . 10.0 111.302 173.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1934 ' ' ILE . . . . . . . . . . . . . 7.2 mm -95.91 119.38 43.89 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.939 0 C-N-CA 124.061 0.945 . . . . 10.0 108.483 171.796 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1935 ' ' LEU . . . . . . . . . . . . . 3.2 mm? -110.78 96.3 6.08 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 125.122 1.369 . . . . 10.0 108.847 -178.127 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1936 ' ' VAL . . . . . . . . . . . . . 11.3 t -104.09 140.51 21.99 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 C-N-CA 123.802 0.841 . . . . 10.0 110.082 177.424 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1937 ' ' LYS . . . . . . . . . . . . . 68.3 mttm -131.09 148.32 52.72 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 127.475 2.31 . . . . 10.0 111.172 174.807 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1938 ' ' TYR . . . . . . . . . . . . . 41.4 t80 -137.74 120.52 16.36 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 125.557 1.543 . . . . 10.0 110.051 168.129 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1939 ' ' ASN . . . . . . . . . . . . . 3.8 t-20 51.6 68.24 0.83 Allowed 'General case' 0 CA--C 1.556 1.21 0 C-N-CA 125.797 1.639 . . . . 10.0 113.886 -179.644 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1940 ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 73.08 -2.06 2.85 Favored 'General case' 0 CA--C 1.558 1.269 0 C-N-CA 128.803 2.841 . . . . 10.0 116.515 170.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1941 ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -141.23 167.61 21.76 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-N 119.408 1.003 . . . . 10.0 113.491 174.096 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1942 ' ' HIS . . . . . . . . . . . . . 87.7 m-70 -64.26 151.9 42.44 Favored 'General case' 0 N--CA 1.481 1.086 0 N-CA-C 114.461 1.282 . . . . 10.0 114.461 -179.016 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1943 ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -67.48 163.85 43.67 Favored Pre-proline 0 CA--C 1.539 0.52 0 C-N-CA 125.706 1.602 . . . . 10.0 113.977 -178.065 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1944 ' ' PRO . . . . . . . . . . . . . 33.9 Cg_exo -58.19 105.12 0.2 Allowed 'Trans proline' 0 CA--C 1.538 0.685 0 C-N-CA 125.108 3.872 . . . . 10.0 111.739 177.747 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1945 ' ' GLY . . . . . . . . . . . . . . . 91.82 -2.74 76.9 Favored Glycine 0 CA--C 1.538 1.53 0 C-N-CA 125.5 1.524 . . . . 10.0 116.39 -179.075 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1946 ' ' SER . . . . . . . . . . . . . 2.7 m -66.56 161.12 62.36 Favored Pre-proline 0 N--CA 1.481 1.101 0 CA-C-N 120.136 1.968 . . . . 10.0 112.076 170.52 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1947 ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -73.95 172.75 59.91 Favored 'Cis proline' 0 CA--C 1.551 1.329 0 CA-C-N 118.939 0.657 . . . . 10.0 112.779 -9.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1948 ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -120.59 169.74 10.08 Favored 'General case' 0 CA--C 1.556 1.194 0 C-N-CA 126.139 1.776 . . . . 10.0 111.114 173.468 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1949 ' ' THR . . . . . . . . . . . . . 17.6 m -137.8 99.39 3.9 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.668 1.187 . . . . 10.0 112.044 -173.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1950 ' ' ALA . . . . . . . . . . . . . . . -91.28 107.28 19.09 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 126.16 1.784 . . . . 10.0 113.298 -174.37 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1951 ' ' ARG . . . . . . . . . . . . . 35.7 ttm180 -90.31 94.99 9.97 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 122.873 1.32 . . . . 10.0 114.345 -179.088 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1952 ' ' VAL . . . . . . . . . . . . . 42.1 t -58.83 114.21 0.8 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 C-N-CA 129.449 3.099 . . . . 10.0 112.193 169.479 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1953 ' ' THR . . . . . . . . . . . . . 6.2 t -67.09 -37.4 83.88 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 114.476 1.287 . . . . 10.0 114.476 -169.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1954 ' ' GLY . . . . . . . . . . . . . . . 67.33 78.72 0.25 Allowed Glycine 0 CA--C 1.534 1.23 0 C-N-CA 124.664 1.126 . . . . 10.0 113.68 -177.214 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1955 ' ' ASP . . . . . . . . . . . . . 31.3 t70 -67.04 -26.05 66.56 Favored 'General case' 0 CA--C 1.555 1.163 0 N-CA-C 114.574 1.324 . . . . 10.0 114.574 178.664 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1956 ' ' ASP . . . . . . . . . . . . . 20.4 t70 . . . . . 0 N--CA 1.488 1.445 0 C-N-CA 130.551 3.541 . . . . 10.0 116.679 179.438 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.25 0 N-CA-C 112.052 -0.419 . . . . 10.0 112.052 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' -3' ' ' ALA . . . . . . . . . . . . . . . -137.71 177.18 8.07 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 125.997 1.719 . . . . 10.0 111.715 174.801 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 16.3 tpt -137.73 121.75 17.84 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 125.728 1.611 . . . . 10.0 111.143 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' -1' ' ' VAL . . . . . . . . . . . . . 60.0 t -74.88 122.04 27.6 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 C-N-CA 125.52 1.528 . . . . 10.0 110.127 177.451 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1863 ' ' VAL . . . . . . . . . . . . . 27.6 m -128.06 9.11 3.09 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 C-N-CA 124.121 0.968 . . . . 10.0 113.56 -177.776 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1864 ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -78.29 0.17 26.39 Favored 'General case' 0 CA--C 1.555 1.141 0 N-CA-C 116.063 1.875 . . . . 10.0 116.063 -173.026 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1865 ' ' CYS . . . . . . . . . . . . . 83.9 m 58.29 -4.14 0.06 Allowed 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 128.587 2.755 . . . . 10.0 118.028 176.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1866 ' ' GLY . . . . . . . . . . . . . . . 89.1 16.05 58.23 Favored Glycine 0 CA--C 1.535 1.335 0 C-N-CA 124.997 1.284 . . . . 10.0 114.4 -176.734 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1867 ' ' HIS . . . . . . . . . . . . . 7.5 t-80 33.19 -105.39 0.03 OUTLIER 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 129.517 3.127 . . . . 10.0 116.431 173.755 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1868 ' ' VAL . . . . . . . . . . . . . 10.8 p -133.34 138.35 51.39 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 C-N-CA 125.439 1.496 . . . . 10.0 112.941 -179.241 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1869 ' ' THR . . . . . . . . . . . . . 43.5 p -142.05 165.16 28.22 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 125.877 1.671 . . . . 10.0 112.122 179.15 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1870 ' ' ALA . . . . . . . . . . . . . . . -134.38 130.05 36.31 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.669 1.588 . . . . 10.0 110.515 172.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1871 ' ' TYR . . . . . . . . . . . . . 40.8 p90 -156.86 173.14 17.43 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 124.682 1.193 . . . . 10.0 111.728 -172.147 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1872 ' ' GLY . . . . . . . . . . . . . . . 117.54 167.63 14.34 Favored Glycine 0 CA--C 1.551 2.317 0 C-N-CA 125.179 1.371 . . . . 10.0 114.167 175.156 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1873 ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -68.22 -27.97 34.37 Favored 'Trans proline' 0 N--CA 1.455 -0.748 0 C-N-CA 122.03 1.82 . . . . 10.0 112.548 -175.434 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1874 ' ' GLY . . . . . . . . . . . . . . . -65.6 -3.68 15.56 Favored Glycine 0 CA--C 1.539 1.571 0 CA-C-O 118.131 -1.372 . . . . 10.0 116.372 178.149 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1875 ' ' LEU . . . . . . . . . . . . . 61.0 mt -93.99 -10.76 32.56 Favored 'General case' 0 CA--C 1.552 1.037 0 CA-C-N 120.481 2.141 . . . . 10.0 113.399 169.033 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1876 ' ' THR . . . . . . . . . . . . . 80.8 p -135.51 -15.55 1.87 Allowed 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 125.092 1.357 . . . . 10.0 114.006 -171.331 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1877 ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -145.13 -179.29 6.53 Favored 'General case' 0 CA--C 1.555 1.146 0 C-N-CA 128.286 2.635 . . . . 10.0 112.073 177.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1878 ' ' GLY . . . . . . . . . . . . . . . -173.85 175.09 46.45 Favored Glycine 0 N--CA 1.483 1.784 0 O-C-N 120.471 -1.393 . . . . 10.0 113.315 178.757 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1879 ' ' VAL . . . . . . . . . . . . . 19.6 t -133.79 108.56 11.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 125.398 1.479 . . . . 10.0 109.957 176.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1880 ' ' VAL . . . . . 0.504 HG23 HG12 ' A' 1952 ' ' VAL . 94.1 t -61.25 134.6 26.59 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.285 0 O-C-N 120.674 -1.266 . . . . 10.0 110.848 177.865 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1881 ' ' ASN . . . . . . . . . . . . . 87.1 m-20 67.14 8.62 6.32 Favored 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 127.391 2.277 . . . . 10.0 116.722 -176.443 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1882 ' ' LYS . . . . . . . . . . . . . 1.7 tttp -124.14 147.06 53.38 Favored Pre-proline 0 N--CA 1.482 1.141 0 CA-C-N 119.116 0.871 . . . . 10.0 111.608 168.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1883 ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -51.43 112.44 0.81 Allowed 'Trans proline' 0 C--N 1.357 1.016 0 C-N-CA 124.107 3.205 . . . . 10.0 112.859 172.825 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1884 ' ' ALA . . . . . . . . . . . . . . . -94.92 153.67 17.57 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.47 1.108 . . . . 10.0 109.869 174.458 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1885 ' ' THR . . . . . . . . . . . . . 57.5 p -148.66 151.52 35.09 Favored 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 114.061 1.134 . . . . 10.0 114.061 -173.362 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1886 ' ' PHE . . . . . . . . . . . . . 22.9 p90 -143.44 162.66 35.22 Favored 'General case' 0 C--O 1.244 0.783 0 C-N-CA 125.161 1.384 . . . . 10.0 109.917 166.725 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1887 ' ' THR . . . . . . . . . . . . . 48.0 m -112.88 133.03 55.05 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.091 0.956 . . . . 10.0 110.131 -169.638 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1888 ' ' VAL . . . . . . . . . . . . . 5.2 m -127.71 143.87 39.35 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 C-N-CA 125.8 1.64 . . . . 10.0 108.153 167.645 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1889 ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -136.61 95.56 3.17 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 126.179 1.792 . . . . 10.0 110.797 -166.666 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1890 ' ' THR . . . . . . . . . . . . . 40.9 p -94.37 20.0 8.83 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 128.617 2.767 . . . . 10.0 113.854 -173.218 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1891 ' ' LYS . . . . . . . . . . . . . 22.5 pttm -31.74 -49.26 0.17 Allowed 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 130.234 3.413 . . . . 10.0 116.348 -177.266 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 37.7 t70 -118.13 5.05 11.98 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 125.783 1.633 . . . . 10.0 112.376 -177.48 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1893 ' ' ALA . . . . . . . . . . . . . . . -87.13 14.04 8.35 Favored 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 128.852 2.861 . . . . 10.0 114.757 -169.321 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -50.02 147.28 7.37 Favored Glycine 0 CA--C 1.543 1.794 0 C-N-CA 126.807 2.146 . . . . 10.0 113.286 -177.513 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1895 ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 63.75 5.72 2.38 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 126.784 2.034 . . . . 10.0 115.707 -174.165 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1896 ' ' GLY . . . . . . . . . . . . . . . -94.68 144.89 17.43 Favored Glycine 0 N--CA 1.474 1.218 0 C-N-CA 124.308 0.956 . . . . 10.0 113.406 173.761 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1897 ' ' GLY . . . . . . . . . . . . . . . -90.62 71.59 2.02 Favored Glycine 0 CA--C 1.528 0.847 0 C-N-CA 125.246 1.403 . . . . 10.0 113.689 -173.302 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1898 ' ' LEU . . . . . . . . . . . . . 3.2 tm? -65.46 118.35 9.29 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 125.127 1.371 . . . . 10.0 109.445 170.158 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1899 ' ' SER . . . . . . . . . . . . . 21.4 t -149.1 148.63 29.91 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 125.329 1.452 . . . . 10.0 111.287 176.73 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1900 ' ' LEU . . . . . . . . . . . . . 1.7 pp -154.65 171.68 19.1 Favored 'General case' 0 C--O 1.237 0.415 0 N-CA-C 115.745 1.757 . . . . 10.0 115.745 -178.414 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1901 ' ' ALA . . . . . . . . . . . . . . . -154.04 173.97 15.3 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.794 1.238 . . . . 10.0 111.843 168.55 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1902 ' ' ILE . . . . . . . . . . . . . 1.3 mp -123.0 145.99 29.01 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.871 0 C-N-CA 126.672 1.989 . . . . 10.0 110.689 175.524 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1903 ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -124.19 168.97 12.2 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 126.164 1.786 . . . . 10.0 110.048 170.502 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1904 ' ' GLY . . . . . . . . . . . . . . . 167.03 -163.0 36.79 Favored Glycine 0 CA--C 1.539 1.534 0 C-N-CA 123.863 0.744 . . . . 10.0 112.72 -178.558 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1905 ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -70.09 -17.59 36.0 Favored 'Trans proline' 0 C--N 1.355 0.9 0 C-N-CA 123.887 3.058 . . . . 10.0 112.787 172.143 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1906 ' ' SER . . . . . . . . . . . . . 9.1 t -151.36 170.93 18.36 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 128.992 2.917 . . . . 10.0 109.48 -168.609 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1907 ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -91.22 173.24 8.03 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.719 1.208 . . . . 10.0 111.97 175.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1908 ' ' ALA . . . . . . . . . . . . . . . -140.31 155.2 46.91 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.902 1.281 . . . . 10.0 110.932 171.185 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1909 ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -86.06 83.48 7.75 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.424 1.49 . . . . 10.0 111.855 -176.489 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1910 ' ' ILE . . . . . . . . . . . . . 11.6 mm -68.4 133.21 32.11 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 C-N-CA 124.636 1.174 . . . . 10.0 111.822 -173.795 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1911 ' ' SER . . . . . . . . . . . . . 16.0 t -146.88 97.42 2.9 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 126.409 1.884 . . . . 10.0 112.017 171.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1912 ' ' CYS . . . . . . . . . . . . . 26.4 p -69.82 149.27 48.08 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-O 121.676 0.75 . . . . 10.0 112.171 170.579 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1913 ' ' THR . . . . . . . . . . . . . 44.2 m -78.87 154.42 29.79 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.718 1.207 . . . . 10.0 112.459 168.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1914 ' ' ASP . . . . . . . . . . . . . 21.4 t0 -135.75 93.2 2.91 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.64 1.576 . . . . 10.0 110.895 170.437 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1915 ' ' ASN . . . . . . . . . . . . . 61.2 t-20 -123.7 133.68 53.84 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 125.455 1.502 . . . . 10.0 110.832 -170.615 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1916 ' ' GLN . . . . . . . . . . . . . 27.3 mp0 -60.69 -8.48 2.97 Favored 'General case' 0 CA--C 1.553 1.075 0 C-N-CA 126.093 1.757 . . . . 10.0 113.974 174.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1917 ' ' ASP . . . . . . . . . . . . . 32.9 t70 -80.31 -11.56 59.7 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 126.069 1.747 . . . . 10.0 112.723 176.617 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1918 ' ' GLY . . . . . . . . . . . . . . . 90.67 53.84 2.19 Favored Glycine 0 C--N 1.339 0.727 0 C-N-CA 125.544 1.545 . . . . 10.0 113.603 177.617 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1919 ' ' THR . . . . . . . . . . . . . 71.6 p -136.74 155.61 49.61 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 124.523 1.129 . . . . 10.0 111.044 174.302 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1920 ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -123.39 4.52 9.07 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 124.624 1.169 . . . . 10.0 113.086 175.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1921 ' ' SER . . . . . . . . . . . . . 60.3 m -8.33 99.56 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 130.067 3.347 . . . . 10.0 116.207 -179.666 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1922 ' ' VAL . . . . . . . . . . . . . 59.5 t -80.05 106.12 10.67 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.675 0 C-N-CA 125.626 1.57 . . . . 10.0 111.651 -176.468 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1923 ' ' SER . . . . . . . . . . . . . 68.1 m -89.4 144.03 26.37 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 124.344 1.057 . . . . 10.0 108.607 165.782 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1924 ' ' TYR . . . . . . . . . . . . . 24.4 p90 -148.43 165.62 30.59 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.763 1.625 . . . . 10.0 109.889 173.846 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1925 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -136.19 93.18 15.18 Favored Pre-proline 0 N--CA 1.479 0.982 0 O-C-N 120.909 -1.119 . . . . 10.0 109.667 -176.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1926 ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -72.18 139.35 32.26 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 122.496 2.131 . . . . 10.0 109.757 178.211 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1927 ' ' VAL . . . . . . . . . . . . . 28.7 m -112.64 -7.62 11.94 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 C-N-CA 124.675 1.19 . . . . 10.0 113.59 -174.748 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1928 ' ' LEU . . . . . . . . . . . . . 3.8 tt -146.12 135.13 11.19 Favored Pre-proline 0 CA--C 1.549 0.938 0 C-N-CA 125.093 1.357 . . . . 10.0 110.124 -177.487 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1929 ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo -51.56 132.18 39.75 Favored 'Trans proline' 0 N--CA 1.491 1.341 0 C-N-CA 123.912 3.075 . . . . 10.0 114.459 175.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1930 ' ' GLY . . . . . . . . . . . . . . . -172.57 173.63 45.45 Favored Glycine 0 CA--C 1.528 0.873 0 N-CA-C 116.435 1.334 . . . . 10.0 116.435 -174.651 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1931 ' ' ASP . . . . . . . . . . . . . 33.7 m-20 -104.91 61.75 0.7 Allowed 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 127.071 2.148 . . . . 10.0 110.474 178.735 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1932 ' ' TYR . . . . . . . . . . . . . 56.0 m-85 -63.2 115.46 4.53 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.287 1.035 . . . . 10.0 113.628 -168.622 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1933 ' ' SER . . . . . . . . . . . . . 66.4 m -74.02 145.84 44.22 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-O 121.376 0.608 . . . . 10.0 110.826 172.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1934 ' ' ILE . . . . . . . . . . . . . 3.9 mm -114.94 124.46 71.62 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 C-N-CA 126.562 1.945 . . . . 10.0 109.666 175.442 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1935 ' ' LEU . . . . . . . . . . . . . 2.8 mm? -117.36 95.35 4.93 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 125.185 1.394 . . . . 10.0 109.837 -173.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1936 ' ' VAL . . . . . . . . . . . . . 15.9 t -105.84 138.73 29.73 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 O-C-N 120.895 -1.128 . . . . 10.0 109.79 -177.097 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1937 ' ' LYS . . . . . . . . . . . . . 98.3 mttt -129.39 151.65 49.79 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.873 1.669 . . . . 10.0 111.185 174.006 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1938 ' ' TYR . . . . . . . . . . . . . 80.3 t80 -137.22 103.41 5.1 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 108.246 -1.02 . . . . 10.0 108.246 171.25 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1939 ' ' ASN . . . . . . . . . . . . . 1.2 t30 59.52 73.87 0.46 Allowed 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 127.608 2.363 . . . . 10.0 113.013 -169.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1940 ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 58.03 -9.25 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.747 0 C-N-CA 129.939 3.295 . . . . 10.0 117.815 175.825 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1941 ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -111.33 145.32 39.04 Favored 'General case' 0 C--O 1.238 0.461 0 C-N-CA 126.022 1.729 . . . . 10.0 110.202 177.18 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1942 ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -62.03 148.75 43.03 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-O 121.772 0.796 . . . . 10.0 113.147 175.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1943 ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.82 166.39 15.7 Favored Pre-proline 0 CA--C 1.549 0.912 0 C-N-CA 126.41 1.884 . . . . 10.0 113.106 -174.54 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1944 ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -58.52 1.54 0.26 Allowed 'Trans proline' 0 CA--C 1.55 1.323 1 C-N-CA 126.84 5.027 . . . . 10.0 118.046 -172.864 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1945 ' ' GLY . . . . . . . . . . . . . . . -148.82 2.97 0.67 Allowed Glycine 0 CA--C 1.539 1.584 0 C-N-CA 126.779 2.133 . . . . 10.0 115.47 176.603 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1946 ' ' SER . . . . . . . . . . . . . 1.5 m -76.35 162.32 71.53 Favored Pre-proline 0 N--CA 1.482 1.148 0 CA-C-N 120.282 2.041 . . . . 10.0 112.52 -175.485 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1947 ' ' PRO . . . . . . . . . . . . . 64.8 Cg_endo -73.03 172.57 59.58 Favored 'Cis proline' 0 CA--C 1.537 0.64 0 CA-C-O 121.515 0.548 . . . . 10.0 112.775 -10.706 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1948 ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -120.89 168.59 11.31 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.369 1.468 . . . . 10.0 111.328 173.317 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1949 ' ' THR . . . . . . . . . . . . . 24.6 m -142.44 99.08 3.42 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 124.73 1.212 . . . . 10.0 110.293 -179.266 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1950 ' ' ALA . . . . . . . . . . . . . . . -70.72 163.72 26.57 Favored 'General case' 0 N--CA 1.446 -0.631 0 C-N-CA 125.485 1.514 . . . . 10.0 113.077 175.063 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1951 ' ' ARG . . . . . . . . . . . . . 19.6 ttm180 -134.0 78.49 1.76 Allowed 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 126.124 1.77 . . . . 10.0 110.347 178.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1952 ' ' VAL . . . . . 0.504 HG12 HG23 ' A' 1880 ' ' VAL . 3.0 t -66.23 97.74 0.27 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.543 0 C-N-CA 127.245 2.218 . . . . 10.0 111.559 177.178 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1953 ' ' THR . . . . . . . . . . . . . 35.2 p -70.51 129.49 39.38 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.011 0.924 . . . . 10.0 111.819 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1954 ' ' GLY . . . . . . . . . . . . . . . -85.67 179.51 50.23 Favored Glycine 0 CA--C 1.534 1.272 0 C-N-CA 126.549 2.023 . . . . 10.0 113.622 177.572 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1955 ' ' ASP . . . . . . . . . . . . . 33.0 t70 -124.15 -29.14 3.62 Favored 'General case' 0 CA--C 1.558 1.257 0 C-N-CA 125.278 1.431 . . . . 10.0 113.609 175.438 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1956 ' ' ASP . . . . . . . . . . . . . 28.9 t70 . . . . . 0 C--O 1.258 1.552 0 C-N-CA 124.527 1.131 . . . . 10.0 112.898 177.374 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A 1868 ' ' VAL . . . . . . . . . . . . . 14.7 p . . . . . 0 C--O 1.236 0.359 0 N-CA-C 109.839 -0.43 . . . . 10.0 109.839 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A 1869 ' ' THR . . . . . . . . . . . . . 20.6 m -137.72 155.3 49.23 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 125.73 1.612 . . . . 10.0 110.539 -170.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1870 ' ' ALA . . . . . . . . . . . . . . . -131.63 127.55 37.26 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 126.238 1.815 . . . . 10.0 110.108 169.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1871 ' ' TYR . . . . . . . . . . . . . 42.5 p90 -148.89 162.57 39.59 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.974 1.31 . . . . 10.0 113.186 -175.294 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1872 ' ' GLY . . . . . . . . . . . . . . . 123.48 169.42 13.21 Favored Glycine 0 CA--C 1.54 1.646 0 C-N-CA 124.545 1.069 . . . . 10.0 114.055 178.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1873 ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.52 -24.01 31.24 Favored 'Trans proline' 0 C--N 1.358 1.047 0 C-N-CA 122.818 2.345 . . . . 10.0 113.592 -177.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1874 ' ' GLY . . . . . . . . . . . . . . . -70.32 -3.32 46.08 Favored Glycine 0 CA--C 1.533 1.189 0 CA-C-O 118.291 -1.283 . . . . 10.0 115.762 178.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1875 ' ' LEU . . . . . . . . . . . . . 89.2 mt -89.19 -15.9 32.61 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 119.142 1.471 . . . . 10.0 113.273 168.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1876 ' ' THR . . . . . . . . . . . . . 8.9 t -128.74 -23.57 3.1 Favored 'General case' 0 N--CA 1.484 1.26 0 N-CA-C 115.054 1.501 . . . . 10.0 115.054 -167.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1877 ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -140.83 168.46 19.74 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 125.754 1.622 . . . . 10.0 111.038 177.179 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1878 ' ' GLY . . . . . . . . . . . . . . . -152.03 170.45 31.39 Favored Glycine 0 N--CA 1.478 1.437 0 C-N-CA 124.776 1.179 . . . . 10.0 114.182 178.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1879 ' ' VAL . . . . . . . . . . . . . 40.8 t -135.1 114.25 16.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 125.044 1.337 . . . . 10.0 109.016 174.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1880 ' ' VAL . . . . . 0.42 HG23 HG12 ' A' 1952 ' ' VAL . 91.1 t -60.35 134.52 25.62 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.519 0 C-N-CA 123.927 0.891 . . . . 10.0 111.265 179.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1881 ' ' ASN . . . . . . . . . . . . . 87.2 m-20 64.95 4.84 2.63 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 128.314 2.646 . . . . 10.0 116.691 -178.449 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1882 ' ' LYS . . . . . 0.416 ' HA ' ' HD3' ' A' 1883 ' ' PRO . 0.3 OUTLIER -122.18 139.52 30.72 Favored Pre-proline 0 CA--C 1.545 0.769 0 CA-C-N 121.422 1.919 . . . . 10.0 111.077 170.337 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A 1883 ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' 1882 ' ' LYS . 73.6 Cg_exo -52.85 122.12 10.47 Favored 'Trans proline' 0 CA--C 1.536 0.606 0 C-N-CA 123.635 2.89 . . . . 10.0 113.419 -171.178 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1884 ' ' ALA . . . . . . . . . . . . . . . -93.0 138.71 31.24 Favored 'General case' 0 C--O 1.241 0.619 0 C-N-CA 124.465 1.106 . . . . 10.0 109.371 173.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1885 ' ' THR . . . . . . . . . . . . . 33.9 p -143.38 151.43 40.41 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 113.295 0.85 . . . . 10.0 113.295 -174.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1886 ' ' PHE . . . . . . . . . . . . . 44.8 p90 -149.92 169.16 21.79 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.072 1.349 . . . . 10.0 111.062 167.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1887 ' ' THR . . . . . . . . . . . . . 79.6 m -110.46 139.79 45.34 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.433 1.093 . . . . 10.0 111.424 -173.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1888 ' ' VAL . . . . . 0.429 HG23 ' HB3' ' A' 1920 ' ' CYS . 3.9 m -124.87 152.1 30.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 125.664 1.585 . . . . 10.0 109.189 168.658 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1889 ' ' ASN . . . . . . . . . . . . . 45.2 t30 -147.27 101.09 3.35 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 125.655 1.582 . . . . 10.0 111.943 -169.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 24.3 p -79.29 34.72 0.26 Allowed 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 126.171 1.788 . . . . 10.0 113.569 179.065 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1891 ' ' LYS . . . . . . . . . . . . . 12.1 ptmm? -37.97 -39.35 0.38 Allowed 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 128.945 2.898 . . . . 10.0 117.439 -171.247 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -124.63 -12.48 7.17 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 124.686 1.194 . . . . 10.0 113.954 171.145 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1893 ' ' ALA . . . . . . . . . . . . . . . -63.67 -37.22 86.53 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 125.762 1.625 . . . . 10.0 115.333 171.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.515 0 CA-C-N 119.147 0.885 . . . . 10.0 114.409 -178.975 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A 1898 ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.543 0.676 0 CA-C-O 121.075 0.464 . . . . 10.0 111.339 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1899 ' ' SER . . . . . . . . . . . . . 9.4 t -146.48 160.78 41.66 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 120.821 -1.174 . . . . 10.0 112.827 -177.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1900 ' ' LEU . . . . . 0.57 HD11 HG21 ' A' 1922 ' ' VAL . 73.3 mt -129.72 163.75 25.48 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.638 1.175 . . . . 10.0 114.152 179.225 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1901 ' ' ALA . . . . . . . . . . . . . . . -145.72 145.28 30.8 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 126.202 1.801 . . . . 10.0 107.755 165.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1902 ' ' ILE . . . . . . . . . . . . . 1.1 mp -124.43 132.4 71.4 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 124.842 1.257 . . . . 10.0 109.363 179.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1903 ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 -118.09 172.49 7.38 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 127.252 2.221 . . . . 10.0 111.269 177.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1904 ' ' GLY . . . . . . . . . . . . . . . 155.58 -162.81 31.35 Favored Glycine 0 CA--C 1.546 1.99 0 C-N-CA 125.412 1.482 . . . . 10.0 112.409 -175.343 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1905 ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -71.11 -17.95 31.16 Favored 'Trans proline' 0 CA--C 1.545 1.029 0 C-N-CA 123.565 2.844 . . . . 10.0 112.907 169.028 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1906 ' ' SER . . . . . . . . . . . . . 13.8 t -149.68 171.65 16.34 Favored 'General case' 0 C--O 1.243 0.732 0 C-N-CA 128.834 2.854 . . . . 10.0 109.478 -167.096 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1907 ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -116.33 173.84 6.38 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.268 1.427 . . . . 10.0 112.22 -170.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1908 ' ' ALA . . . . . . . . . . . . . . . -144.23 171.55 14.15 Favored 'General case' 0 CA--C 1.56 1.351 0 C-N-CA 126.591 1.957 . . . . 10.0 112.434 178.013 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1909 ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -96.12 -6.43 38.49 Favored 'General case' 0 N--CA 1.484 1.266 0 N-CA-C 116.016 1.858 . . . . 10.0 116.016 -170.035 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1910 ' ' ILE . . . . . . . . . . . . . 4.0 mt 25.29 72.21 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 131.371 3.869 . . . . 10.0 113.073 -176.336 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1911 ' ' SER . . . . . . . . . . . . . 6.0 t -81.18 170.18 16.45 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.308 1.443 . . . . 10.0 111.865 171.025 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1912 ' ' CYS . . . . . . . . . . . . . 30.3 p -149.27 172.96 14.03 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 113.391 0.886 . . . . 10.0 113.391 171.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1913 ' ' THR . . . . . . . . . . . . . 24.3 m -139.02 133.97 32.38 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 125.706 1.602 . . . . 10.0 110.905 178.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1914 ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -70.51 -42.51 71.21 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.526 1.13 . . . . 10.0 113.856 -175.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1915 ' ' ASN . . . . . . . . . . . . . 67.9 m-80 49.89 -165.65 0.03 OUTLIER 'General case' 0 CA--C 1.554 1.119 0 C-N-CA 127.72 2.408 . . . . 10.0 112.951 -169.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1916 ' ' GLN . . . . . . . . . . . . . 19.4 tt0 -120.64 9.24 10.76 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 126.952 2.101 . . . . 10.0 111.305 170.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1917 ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -100.57 -2.9 31.72 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 125.855 1.662 . . . . 10.0 113.932 -173.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1918 ' ' GLY . . . . . . . . . . . . . . . 91.3 -3.42 79.66 Favored Glycine 0 CA--C 1.538 1.509 0 C-N-CA 124.925 1.25 . . . . 10.0 115.989 173.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1919 ' ' THR . . . . . . . . . . . . . 70.0 p -75.89 169.71 17.62 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.813 1.245 . . . . 10.0 111.997 177.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1920 ' ' CYS . . . . . 0.429 ' HB3' HG23 ' A' 1888 ' ' VAL . 0.5 OUTLIER -115.54 41.26 2.54 Favored 'General case' 0 CA--C 1.551 0.982 0 O-C-N 121.492 -0.755 . . . . 10.0 109.856 168.224 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A 1921 ' ' SER . . . . . . . . . . . . . 10.6 t -33.91 115.06 0.22 Allowed 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 128.177 2.591 . . . . 10.0 114.561 -167.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1922 ' ' VAL . . . . . 0.57 HG21 HD11 ' A' 1900 ' ' LEU . 86.1 t -96.31 137.12 25.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 123.568 0.747 . . . . 10.0 110.931 -173.322 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1923 ' ' SER . . . . . . . . . . . . . 72.7 m -135.33 119.19 17.3 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 125.396 1.478 . . . . 10.0 111.359 178.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1924 ' ' TYR . . . . . . . . . . . . . 16.4 p90 -132.34 174.87 9.79 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.998 1.319 . . . . 10.0 110.441 179.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1925 ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -140.98 97.45 7.06 Favored Pre-proline 0 CA--C 1.551 0.981 0 O-C-N 120.409 -1.432 . . . . 10.0 111.218 -174.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1926 ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -70.45 122.09 8.6 Favored 'Trans proline' 0 C--N 1.356 0.924 0 C-N-CA 122.221 1.947 . . . . 10.0 111.355 169.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1927 ' ' VAL . . . . . . . . . . . . . 28.8 m -106.02 0.18 10.07 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.247 0 C-N-CA 125.553 1.541 . . . . 10.0 114.308 -175.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1928 ' ' LEU . . . . . . . . . . . . . 4.8 tt -149.6 135.01 9.76 Favored Pre-proline 0 CA--C 1.563 1.475 0 C-N-CA 125.845 1.658 . . . . 10.0 109.607 175.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1929 ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -57.8 138.43 86.03 Favored 'Trans proline' 0 CA--C 1.546 1.097 0 C-N-CA 123.255 2.637 . . . . 10.0 113.975 -177.256 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1930 ' ' GLY . . . . . . . . . . . . . . . 175.08 -178.16 46.88 Favored Glycine 0 N--CA 1.477 1.386 0 N-CA-C 117.643 1.817 . . . . 10.0 117.643 -175.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1931 ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -99.1 82.18 2.69 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 126.115 1.766 . . . . 10.0 109.651 178.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1932 ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -80.07 101.73 8.9 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.834 1.254 . . . . 10.0 111.027 -170.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1933 ' ' SER . . . . . . . . . . . . . 73.5 m -79.66 110.47 15.02 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 124.065 0.946 . . . . 10.0 112.213 -176.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1934 ' ' ILE . . . . . . . . . . . . . 1.2 mp -76.83 129.24 37.53 Favored 'Isoleucine or valine' 0 C--O 1.243 0.713 0 C-N-CA 124.882 1.273 . . . . 10.0 109.294 170.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1935 ' ' LEU . . . . . . . . . . . . . 3.0 mm? -106.64 100.86 10.35 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 126.887 2.075 . . . . 10.0 108.039 167.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1936 ' ' VAL . . . . . . . . . . . . . 15.6 t -87.2 129.18 39.07 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.405 0 CA-C-N 119.847 1.203 . . . . 10.0 110.159 172.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1937 ' ' LYS . . . . . . . . . . . . . 73.9 mttt -119.47 144.62 46.88 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.711 1.204 . . . . 10.0 111.681 169.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1938 ' ' TYR . . . . . . . . . . . . . 71.1 t80 -127.88 118.0 22.84 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 125.296 1.439 . . . . 10.0 108.313 169.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1939 ' ' ASN . . . . . . . . . . . . . 43.3 t30 44.77 71.89 0.23 Allowed 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 126.305 1.842 . . . . 10.0 114.039 -172.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1940 ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 68.15 -9.12 0.51 Allowed 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 128.516 2.726 . . . . 10.0 116.293 172.087 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1941 ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -127.39 159.72 33.61 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.331 1.452 . . . . 10.0 112.504 179.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1942 ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -72.65 155.21 40.24 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 113.853 1.057 . . . . 10.0 113.853 -173.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1943 ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -73.47 163.94 64.74 Favored Pre-proline 0 CA--C 1.542 0.651 0 C-N-CA 125.499 1.519 . . . . 10.0 113.205 179.221 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1944 ' ' PRO . . . . . . . . . . . . . 47.8 Cg_exo -64.62 -20.21 65.31 Favored 'Trans proline' 0 CA--C 1.55 1.281 0 C-N-CA 124.411 3.407 . . . . 10.0 115.918 -170.289 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1945 ' ' GLY . . . . . . . . . . . . . . . -114.15 -1.88 23.54 Favored Glycine 0 CA--C 1.541 1.667 0 C-N-CA 126.851 2.167 . . . . 10.0 114.641 -178.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1946 ' ' SER . . . . . . . . . . . . . 5.9 m -69.45 155.33 93.73 Favored Pre-proline 0 CA--C 1.545 0.774 0 CA-C-N 118.485 1.143 . . . . 10.0 112.349 178.068 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1947 ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -72.24 172.58 57.02 Favored 'Cis proline' 0 CA--C 1.548 1.178 0 CA-C-N 119.998 1.035 . . . . 10.0 112.848 -11.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1948 ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -120.63 165.64 14.76 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.726 1.61 . . . . 10.0 109.236 167.085 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1949 ' ' THR . . . . . . . . . . . . . 8.8 m -142.23 98.51 3.33 Favored 'General case' 0 N--CA 1.479 1.023 0 O-C-N 121.2 -0.938 . . . . 10.0 110.93 -175.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1950 ' ' ALA . . . . . . . . . . . . . . . -74.99 103.84 5.34 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.363 1.065 . . . . 10.0 111.672 174.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1951 ' ' ARG . . . . . . . . . . . . . 65.7 ttt-85 -79.85 91.28 5.34 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-O 123.074 1.416 . . . . 10.0 111.055 175.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1952 ' ' VAL . . . . . 0.42 HG12 HG23 ' A' 1880 ' ' VAL . 2.4 t -68.1 115.54 6.5 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 128.18 2.592 . . . . 10.0 112.575 174.182 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1953 ' ' THR . . . . . . . . . . . . . 5.7 t -93.46 151.28 19.83 Favored 'General case' 0 C--O 1.243 0.753 0 C-N-CA 124.351 1.06 . . . . 10.0 111.53 171.233 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1954 ' ' GLY . . . . . . . . . . . . . . . -105.62 167.95 15.01 Favored Glycine 0 CA--C 1.535 1.297 0 CA-C-O 122.399 1.0 . . . . 10.0 114.48 -176.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1955 ' ' ASP . . . . . . . . . . . . . 37.4 t70 -129.36 -12.79 4.46 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 126.278 1.831 . . . . 10.0 113.977 -173.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1956 ' ' ASP . . . . . . . . . . . . . 33.8 t70 . . . . . 0 C--O 1.252 1.184 0 C-N-CA 126.614 1.966 . . . . 10.0 113.067 -178.187 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A 1868 ' ' VAL . . . . . . . . . . . . . 9.2 p . . . . . 0 N--CA 1.476 0.834 0 N-CA-C 109.383 -0.599 . . . . 10.0 109.383 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A 1869 ' ' THR . . . . . . . . . . . . . 73.1 p -139.9 -173.76 3.73 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 125.721 1.608 . . . . 10.0 109.557 -172.009 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1870 ' ' ALA . . . . . . . . . . . . . . . -133.22 127.35 33.55 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 125.367 1.467 . . . . 10.0 110.916 169.309 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1871 ' ' TYR . . . . . . . . . . . . . 47.4 p90 -147.63 160.48 42.62 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.483 1.113 . . . . 10.0 111.64 179.407 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1872 ' ' GLY . . . . . . . . . . . . . . . 131.18 169.65 12.47 Favored Glycine 0 CA--C 1.545 1.928 0 C-N-CA 125.718 1.628 . . . . 10.0 113.1 176.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1873 ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -74.42 -19.58 19.23 Favored 'Trans proline' 0 CA--C 1.546 1.101 0 C-N-CA 123.396 2.731 . . . . 10.0 113.804 -170.44 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1874 ' ' GLY . . . . . . . . . . . . . . . -73.68 -12.49 80.62 Favored Glycine 0 CA--C 1.531 1.032 0 CA-C-O 118.341 -1.255 . . . . 10.0 114.441 173.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1875 ' ' LEU . . . . . . . . . . . . . 44.7 mt -86.26 -9.4 56.55 Favored 'General case' 0 C--N 1.352 0.688 0 CA-C-N 119.298 1.549 . . . . 10.0 113.063 171.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1876 ' ' THR . . . . . . . . . . . . . 70.2 p -118.63 -29.68 5.34 Favored 'General case' 0 N--CA 1.494 1.762 0 C-N-CA 126.1 1.76 . . . . 10.0 113.439 -172.378 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1877 ' ' HIS . . . . . . . . . . . . . 3.2 p-80 -145.42 -178.49 6.1 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 119.24 0.927 . . . . 10.0 112.23 173.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1878 ' ' GLY . . . . . . . . . . . . . . . -151.52 163.49 29.95 Favored Glycine 0 N--CA 1.468 0.811 0 C-N-CA 125.135 1.35 . . . . 10.0 113.398 178.298 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1879 ' ' VAL . . . . . . . . . . . . . 11.5 t -132.44 109.79 15.29 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.421 0 C-N-CA 124.851 1.26 . . . . 10.0 110.652 178.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1880 ' ' VAL . . . . . . . . . . . . . 57.9 t -59.74 124.06 13.33 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 C-N-CA 124.671 1.188 . . . . 10.0 110.691 -177.598 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1881 ' ' ASN . . . . . . . . . . . . . 76.0 m-20 67.32 17.09 10.19 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 128.207 2.603 . . . . 10.0 116.271 -172.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1882 ' ' LYS . . . . . 0.428 ' HA ' ' HD3' ' A' 1883 ' ' PRO . 14.1 tppt? -137.68 144.8 46.08 Favored Pre-proline 0 N--CA 1.483 1.221 0 O-C-N 120.627 -1.296 . . . . 10.0 112.074 172.407 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1883 ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' 1882 ' ' LYS . 92.9 Cg_exo -55.66 141.01 84.6 Favored 'Trans proline' 0 C--O 1.239 0.558 0 C-N-CA 123.964 3.109 . . . . 10.0 114.323 -175.118 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1884 ' ' ALA . . . . . . . . . . . . . . . -123.18 149.26 44.85 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 126.956 2.102 . . . . 10.0 109.087 168.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1885 ' ' THR . . . . . . . . . . . . . 5.8 t -161.95 156.12 21.96 Favored 'General case' 0 N--CA 1.482 1.142 0 N-CA-C 115.243 1.571 . . . . 10.0 115.243 -168.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1886 ' ' PHE . . . . . . . . . . . . . 47.0 p90 -152.9 177.24 10.97 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 124.52 1.128 . . . . 10.0 113.314 -177.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1887 ' ' THR . . . . . . . . . . . . . 88.8 m -127.55 141.05 51.75 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.41 1.484 . . . . 10.0 110.233 -171.355 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1888 ' ' VAL . . . . . . . . . . . . . 1.2 m -137.56 63.09 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 C-N-CA 127.775 2.43 . . . . 10.0 108.542 -175.222 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1889 ' ' ASN . . . . . . . . . . . . . 63.9 t-20 -62.04 101.62 0.23 Allowed 'General case' 0 C--N 1.317 -0.832 0 C-N-CA 128.454 2.702 . . . . 10.0 111.796 -175.489 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 17.0 p -66.52 -27.22 67.59 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 126.118 1.767 . . . . 10.0 114.844 179.156 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1891 ' ' LYS . . . . . . . . . . . . . 54.6 mttp 58.17 -68.22 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 127.864 2.466 . . . . 10.0 113.438 -170.396 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 29.7 t70 -140.94 8.11 2.08 Favored 'General case' 0 CA--C 1.561 1.373 0 C-N-CA 126.97 2.108 . . . . 10.0 112.782 171.206 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1893 ' ' ALA . . . . . . . . . . . . . . . -67.81 71.9 0.15 Allowed 'General case' 0 CA--C 1.555 1.139 0 C-N-CA 129.006 2.923 . . . . 10.0 113.707 178.1 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 1.814 0 C-N-CA 125.546 1.546 . . . . 10.0 116.053 176.232 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A 1898 ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.543 0.706 0 N-CA-C 109.316 -0.624 . . . . 10.0 109.316 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1899 ' ' SER . . . . . . . . . . . . . 59.6 m -130.49 145.61 51.88 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 127.751 2.42 . . . . 10.0 110.542 176.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1900 ' ' LEU . . . . . . . . . . . . . 4.6 pp -152.56 169.91 21.47 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 115.104 1.52 . . . . 10.0 115.104 177.18 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1901 ' ' ALA . . . . . . . . . . . . . . . -153.79 170.43 20.98 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 126.375 1.87 . . . . 10.0 112.462 168.129 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1902 ' ' ILE . . . . . . . . . . . . . 2.7 mp -121.26 139.4 48.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 125.394 1.478 . . . . 10.0 108.875 172.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1903 ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -117.46 167.34 11.36 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 127.104 2.162 . . . . 10.0 110.827 170.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1904 ' ' GLY . . . . . . . . . . . . . . . 166.5 -170.21 40.95 Favored Glycine 0 CA--C 1.541 1.713 0 O-C-N 120.938 -1.102 . . . . 10.0 112.172 -178.076 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1905 ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -69.54 -16.8 38.69 Favored 'Trans proline' 0 CA--C 1.543 0.946 0 C-N-CA 123.554 2.836 . . . . 10.0 113.653 168.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1906 ' ' SER . . . . . . . . . . . . . 23.0 t -146.63 174.49 11.38 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 127.574 2.35 . . . . 10.0 110.357 -168.064 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1907 ' ' LYS . . . . . . . . . . . . . 58.3 mtmt -126.94 107.38 10.03 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.423 1.489 . . . . 10.0 111.721 -170.376 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1908 ' ' ALA . . . . . . . . . . . . . . . -69.8 160.82 31.02 Favored 'General case' 0 CA--C 1.557 1.239 0 C-N-CA 126.922 2.089 . . . . 10.0 113.741 -178.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1909 ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -86.23 96.84 10.07 Favored 'General case' 0 C--O 1.238 0.468 0 O-C-N 121.066 -1.021 . . . . 10.0 110.535 171.208 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1910 ' ' ILE . . . . . . . . . . . . . 58.2 mt -87.26 139.47 17.28 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 126.086 1.754 . . . . 10.0 111.035 -175.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1911 ' ' SER . . . . . . . . . . . . . 8.1 t -150.62 172.64 15.21 Favored 'General case' 0 CA--C 1.557 1.231 0 C-N-CA 125.784 1.633 . . . . 10.0 111.182 172.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1912 ' ' CYS . . . . . . . . . . . . . 30.4 p -137.78 161.45 36.54 Favored 'General case' 0 N--CA 1.479 1.007 0 O-C-N 119.797 -1.814 . . . . 10.0 112.815 -176.211 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1913 ' ' THR . . . . . . . . . . . . . 26.8 m -102.76 114.53 28.86 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.23 1.412 . . . . 10.0 111.174 -170.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1914 ' ' ASP . . . . . . . . . . . . . 36.5 m-20 -65.77 115.46 5.93 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 124.619 1.167 . . . . 10.0 111.84 170.399 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1915 ' ' ASN . . . . . . . . . . . . . 49.4 t-20 -147.23 142.55 27.36 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.692 1.197 . . . . 10.0 111.131 175.415 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1916 ' ' GLN . . . . . . . . . . . . . 29.9 tp60 -68.25 -12.77 61.55 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 124.939 1.296 . . . . 10.0 113.364 176.347 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1917 ' ' ASP . . . . . . . . . . . . . 20.5 t70 -72.9 -14.79 61.55 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 125.202 1.401 . . . . 10.0 113.682 178.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1918 ' ' GLY . . . . . . . . . . . . . . . 82.59 12.18 80.62 Favored Glycine 0 CA--C 1.534 1.232 0 C-N-CA 125.47 1.509 . . . . 10.0 115.447 171.395 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1919 ' ' THR . . . . . . . . . . . . . 61.1 p -64.39 168.69 5.44 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 125.263 1.425 . . . . 10.0 112.087 171.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1920 ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -115.81 36.2 4.11 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.761 0.824 . . . . 10.0 111.52 173.497 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1921 ' ' SER . . . . . . . . . . . . . 72.3 m -55.35 123.55 14.2 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 124.797 1.239 . . . . 10.0 111.489 -172.253 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1922 ' ' VAL . . . . . . . . . . . . . 3.4 t -125.51 135.04 65.21 Favored 'Isoleucine or valine' 0 C--O 1.24 0.605 0 C-N-CA 124.711 1.204 . . . . 10.0 112.33 -168.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1923 ' ' SER . . . . . . . . . . . . . 65.1 p -110.3 155.74 21.67 Favored 'General case' 0 C--O 1.242 0.671 0 C-N-CA 125.08 1.352 . . . . 10.0 111.258 169.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1924 ' ' TYR . . . . . . . . . . . . . 18.9 p90 -145.84 166.6 25.46 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 125.809 1.644 . . . . 10.0 110.509 173.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1925 ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -145.18 93.99 5.36 Favored Pre-proline 0 CA--C 1.544 0.716 0 O-C-N 120.695 -1.253 . . . . 10.0 109.166 -171.28 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1926 ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -70.18 121.24 7.85 Favored 'Trans proline' 0 C--N 1.354 0.84 0 C-N-CA 123.064 2.51 . . . . 10.0 110.982 -179.105 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1927 ' ' VAL . . . . . . . . . . . . . 26.9 m -78.32 -18.39 13.59 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 N-CA-C 113.946 1.091 . . . . 10.0 113.946 176.058 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1928 ' ' LEU . . . . . . . . . . . . . 22.6 mt -141.52 156.39 66.74 Favored Pre-proline 0 CA--C 1.551 1.0 0 C-N-CA 126.023 1.729 . . . . 10.0 111.704 179.232 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1929 ' ' PRO . . . . . . . . . . . . . 8.9 Cg_exo -62.03 159.87 32.38 Favored 'Trans proline' 0 C--N 1.357 0.974 0 C-N-CA 123.643 2.895 . . . . 10.0 113.334 174.205 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1930 ' ' GLY . . . . . . . . . . . . . . . 161.07 179.0 35.53 Favored Glycine 0 CA--C 1.534 1.26 0 N-CA-C 115.137 0.815 . . . . 10.0 115.137 174.229 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1931 ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -99.09 77.21 2.15 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 126.981 2.113 . . . . 10.0 109.679 173.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1932 ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -73.36 158.02 35.84 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.365 0.666 . . . . 10.0 110.607 -176.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1933 ' ' SER . . . . . . . . . . . . . 44.2 t -128.05 141.98 51.35 Favored 'General case' 0 N--CA 1.477 0.89 0 O-C-N 120.462 -1.399 . . . . 10.0 111.167 177.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1934 ' ' ILE . . . . . . . . . . . . . 2.2 mm -113.07 104.37 16.92 Favored 'Isoleucine or valine' 0 C--N 1.345 0.395 0 C-N-CA 125.238 1.415 . . . . 10.0 109.126 -176.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1935 ' ' LEU . . . . . . . . . . . . . 2.9 mm? -92.23 98.11 11.31 Favored 'General case' 0 C--N 1.317 -0.822 0 C-N-CA 126.131 1.772 . . . . 10.0 108.109 -176.537 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1936 ' ' VAL . . . . . . . . . . . . . 21.2 t -108.9 132.63 56.4 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.284 0 CA-C-N 118.653 0.661 . . . . 10.0 110.72 178.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1937 ' ' LYS . . . . . . . . . . . . . 82.9 mttt -124.78 154.67 40.58 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 128.421 2.688 . . . . 10.0 112.341 179.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1938 ' ' TYR . . . . . . . . . . . . . 35.2 t80 -145.44 120.57 10.13 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.241 1.417 . . . . 10.0 109.914 168.185 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1939 ' ' ASN . . . . . . . . . . . . . 1.3 t30 52.2 73.07 0.35 Allowed 'General case' 0 CA--C 1.554 1.125 0 C-N-CA 125.703 1.601 . . . . 10.0 112.359 -173.164 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1940 ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 69.86 -16.72 0.27 Allowed 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 129.816 3.246 . . . . 10.0 117.178 173.345 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1941 ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -132.77 160.62 36.31 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 125.206 1.403 . . . . 10.0 111.933 -172.285 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1942 ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -65.41 146.33 55.02 Favored 'General case' 0 C--O 1.242 0.661 0 N-CA-C 114.426 1.269 . . . . 10.0 114.426 -173.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1943 ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -67.79 166.41 23.23 Favored Pre-proline 0 N--CA 1.474 0.752 0 C-N-CA 128.609 2.763 . . . . 10.0 112.923 -177.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1944 ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -57.91 108.67 0.4 Allowed 'Trans proline' 0 CA--C 1.549 1.225 0 C-N-CA 124.472 3.448 . . . . 10.0 111.563 177.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1945 ' ' GLY . . . . . . . . . . . . . . . 92.27 -5.54 78.05 Favored Glycine 0 CA--C 1.546 2.023 0 C-N-CA 126.304 1.907 . . . . 10.0 116.4 -179.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1946 ' ' SER . . . . . . . . . . . . . 2.0 m -67.87 161.83 63.69 Favored Pre-proline 0 CA--C 1.543 0.677 0 CA-C-N 119.325 1.563 . . . . 10.0 112.571 176.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1947 ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -73.6 170.48 70.13 Favored 'Cis proline' 0 C--N 1.357 0.979 0 C-N-CA 125.506 -0.623 . . . . 10.0 113.1 -10.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1948 ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -111.27 164.56 12.77 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.058 0.943 . . . . 10.0 111.424 175.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1949 ' ' THR . . . . . . . . . . . . . 86.6 m -141.29 126.65 18.69 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 125.304 1.442 . . . . 10.0 109.922 -179.331 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1950 ' ' ALA . . . . . . . . . . . . . . . -125.65 114.03 18.15 Favored 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 125.902 1.681 . . . . 10.0 111.5 -171.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1951 ' ' ARG . . . . . . . . . . . . . 18.9 ttp-105 -80.31 94.65 6.15 Favored 'General case' 0 N--CA 1.482 1.148 0 CA-C-O 122.953 1.359 . . . . 10.0 112.055 176.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1952 ' ' VAL . . . . . . . . . . . . . 2.8 t -59.0 109.77 0.41 Allowed 'Isoleucine or valine' 0 C--O 1.242 0.706 0 C-N-CA 125.684 1.594 . . . . 10.0 110.793 166.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1953 ' ' THR . . . . . . . . . . . . . 33.9 p -58.15 -68.92 0.2 Allowed 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 126.068 1.747 . . . . 10.0 114.555 -168.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1954 ' ' GLY . . . . . . . . . . . . . . . 90.03 148.84 20.67 Favored Glycine 0 CA--C 1.529 0.925 0 C-N-CA 127.505 2.479 . . . . 10.0 114.956 -179.214 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1955 ' ' ASP . . . . . . . . . . . . . 27.1 t70 -82.11 -20.0 38.97 Favored 'General case' 0 CA--C 1.552 1.028 0 C-N-CA 124.36 1.064 . . . . 10.0 112.331 179.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1956 ' ' ASP . . . . . . . . . . . . . 35.2 t70 . . . . . 0 C--O 1.259 1.564 0 C-N-CA 124.999 1.32 . . . . 10.0 112.628 -176.999 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A 1868 ' ' VAL . . . . . . . . . . . . . 9.1 p . . . . . 0 N--CA 1.479 1.004 0 CA-C-O 121.938 0.875 . . . . 10.0 112.95 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A 1869 ' ' THR . . . . . . . . . . . . . 5.7 m -161.49 138.76 8.78 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 128.582 2.753 . . . . 10.0 108.62 171.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1870 ' ' ALA . . . . . . . . . . . . . . . -74.41 146.76 42.65 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 113.095 0.776 . . . . 10.0 113.095 -178.162 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1871 ' ' TYR . . . . . . . . . . . . . 26.8 p90 -153.53 147.64 25.66 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.69 1.596 . . . . 10.0 112.128 172.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1872 ' ' GLY . . . . . . . . . . . . . . . 156.21 172.47 23.66 Favored Glycine 0 CA--C 1.534 1.276 0 C-N-CA 124.261 0.934 . . . . 10.0 114.149 -176.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1873 ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -70.36 -35.69 10.48 Favored 'Trans proline' 0 N--CA 1.471 0.192 0 C-N-CA 122.597 2.198 . . . . 10.0 112.988 -171.201 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1874 ' ' GLY . . . . . . . . . . . . . . . -68.24 -22.8 74.7 Favored Glycine 0 C--N 1.356 1.683 0 O-C-N 120.775 -1.203 . . . . 10.0 115.046 -174.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1875 ' ' LEU . . . . . . . . . . . . . 50.1 mt -71.35 -15.33 62.38 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 114.121 1.156 . . . . 10.0 114.121 -174.1 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1876 ' ' THR . . . . . . . . . . . . . 42.1 p -114.14 -45.23 3.07 Favored 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 124.797 1.239 . . . . 10.0 111.295 177.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1877 ' ' HIS . . . . . . . . . . . . . 47.9 m80 -134.14 113.94 12.59 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 124.422 1.089 . . . . 10.0 110.53 -178.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1878 ' ' GLY . . . . . . . . . . . . . . . -83.01 -178.27 52.29 Favored Glycine 0 CA--C 1.552 2.365 0 C-N-CA 125.254 1.407 . . . . 10.0 112.749 173.321 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1879 ' ' VAL . . . . . . . . . . . . . 21.7 t -145.39 103.25 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 N-CA-C 106.306 -1.738 . . . . 10.0 106.306 177.278 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1880 ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -65.74 142.04 17.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 C-N-CA 119.568 -0.853 . . . . 10.0 111.372 -169.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1881 ' ' ASN . . . . . . . . . . . . . 68.5 m-80 62.45 10.39 3.95 Favored 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 126.017 1.727 . . . . 10.0 115.578 -173.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1882 ' ' LYS . . . . . 0.403 ' HA ' ' HD3' ' A' 1883 ' ' PRO . 0.4 OUTLIER -128.12 141.54 41.61 Favored Pre-proline 0 N--CA 1.494 1.758 0 CA-C-N 120.533 1.515 . . . . 10.0 111.322 169.886 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A 1883 ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' 1882 ' ' LYS . 81.4 Cg_exo -51.74 121.77 9.22 Favored 'Trans proline' 0 CA--C 1.535 0.553 0 C-N-CA 123.74 2.96 . . . . 10.0 114.196 -175.286 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1884 ' ' ALA . . . . . . . . . . . . . . . -93.94 155.32 17.22 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 125.744 1.617 . . . . 10.0 111.003 169.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1885 ' ' THR . . . . . . . . . . . . . 37.4 p -149.89 150.57 32.12 Favored 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 114.239 1.199 . . . . 10.0 114.239 -169.05 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1886 ' ' PHE . . . . . . . . . . . . . 37.3 p90 -151.76 174.86 13.02 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 126.156 1.783 . . . . 10.0 111.421 168.047 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1887 ' ' THR . . . . . . . . . . . . . 94.6 m -126.69 145.01 50.75 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 126.81 2.044 . . . . 10.0 111.438 175.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1888 ' ' VAL . . . . . 0.899 HG12 ' HB3' ' A' 1920 ' ' CYS 0.398 2.5 p -136.72 94.17 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 CA-C-O 122.758 1.266 . . . . 10.0 112.411 177.592 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A 1889 ' ' ASN . . . . . . . . . . . . . 2.2 t30 -68.97 102.45 1.6 Allowed 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 128.133 2.573 . . . . 10.0 110.531 -177.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 26.4 p -77.08 8.51 3.82 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 115.881 1.808 . . . . 10.0 115.881 179.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1891 ' ' LYS . . . . . . . . . . . . . 89.8 mttt -60.95 150.38 33.52 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-N 120.471 1.487 . . . . 10.0 112.027 179.319 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 18.2 t70 60.84 -8.59 0.07 Allowed 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 129.446 3.098 . . . . 10.0 116.139 179.512 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1893 ' ' ALA . . . . . . . . . . . . . . . -65.66 -24.16 66.96 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 127.279 2.232 . . . . 10.0 115.405 179.001 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.457 0 C-N-CA 125.525 1.536 . . . . 10.0 111.592 -171.313 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A 1898 ' ' LEU . . . . . . . . . . . . . 5.6 tt . . . . . 0 CA--C 1.551 0.983 0 CA-C-O 121.349 0.595 . . . . 10.0 110.39 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A 1899 ' ' SER . . . . . . . . . . . . . 39.2 m -135.5 153.19 51.81 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 126.52 1.928 . . . . 10.0 112.103 -179.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1900 ' ' LEU . . . . . 0.724 HD11 HG21 ' A' 1922 ' ' VAL . 67.2 mt -124.78 161.23 26.89 Favored 'General case' 0 C--O 1.239 0.51 0 N-CA-C 114.236 1.198 . . . . 10.0 114.236 175.153 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1901 ' ' ALA . . . . . . . . . . . . . . . -151.37 162.14 41.45 Favored 'General case' 0 CA--C 1.557 1.219 0 C-N-CA 126.469 1.907 . . . . 10.0 108.94 164.25 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1902 ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -131.1 140.76 47.79 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.096 0 C-N-CA 124.61 1.164 . . . . 10.0 109.714 174.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1903 ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -122.68 168.13 12.58 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 126.81 2.044 . . . . 10.0 110.359 170.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1904 ' ' GLY . . . . . . . . . . . . . . . 155.13 -161.46 30.41 Favored Glycine 0 CA--C 1.541 1.714 0 C-N-CA 125.329 1.443 . . . . 10.0 112.606 -173.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1905 ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -71.38 -20.69 27.33 Favored 'Trans proline' 0 CA--C 1.545 1.03 0 CA-C-N 119.646 1.723 . . . . 10.0 112.126 170.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1906 ' ' SER . . . . . . . . . . . . . 8.5 t -155.98 -176.54 6.01 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 129.926 3.29 . . . . 10.0 108.013 -168.149 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1907 ' ' LYS . . . . . . . . . . . . . 56.1 mttm -134.11 173.46 11.57 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 125.56 1.544 . . . . 10.0 112.636 -173.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1908 ' ' ALA . . . . . . . . . . . . . . . -133.33 153.91 51.17 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 126.32 1.848 . . . . 10.0 112.547 -173.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1909 ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -75.9 89.03 2.91 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.492 0.717 . . . . 10.0 111.571 176.244 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1910 ' ' ILE . . . . . . . . . . . . . 32.8 mt -64.46 113.14 1.65 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 123.714 0.806 . . . . 10.0 111.315 177.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1911 ' ' SER . . . . . . . . . . . . . 71.0 m -130.95 92.48 3.23 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.887 1.675 . . . . 10.0 112.128 173.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1912 ' ' CYS . . . . . . . . . . . . . 34.6 m -63.83 159.29 19.87 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 124.88 1.272 . . . . 10.0 111.103 168.158 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1913 ' ' THR . . . . . 0.502 ' HB ' ' HB3' ' A' 1921 ' ' SER . 22.3 m -132.55 93.16 3.18 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 121.522 -0.736 . . . . 10.0 109.486 167.8 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1914 ' ' ASP . . . . . . . . . . . . . 28.0 t70 -54.36 126.28 22.67 Favored 'General case' 0 CA--C 1.554 1.096 0 C-N-CA 126.467 1.907 . . . . 10.0 112.289 -178.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1915 ' ' ASN . . . . . . . . . . . . . 63.3 t-20 -136.28 130.98 33.83 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 125.914 1.686 . . . . 10.0 109.535 177.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1916 ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -60.94 -9.5 4.33 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 114.364 1.246 . . . . 10.0 114.364 174.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1917 ' ' ASP . . . . . . . . . . . . . 24.9 t70 -70.17 -10.68 59.58 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 124.797 1.239 . . . . 10.0 112.261 169.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1918 ' ' GLY . . . . . . . . . . . . . . . 88.9 38.1 7.03 Favored Glycine 0 CA--C 1.536 1.386 0 C-N-CA 126.037 1.78 . . . . 10.0 114.559 176.225 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1919 ' ' THR . . . . . . . . . . . . . 75.2 p -126.68 144.99 50.75 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 125.235 1.414 . . . . 10.0 113.146 -175.041 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1920 ' ' CYS . . . . . 0.899 ' HB3' HG12 ' A' 1888 ' ' VAL . 9.7 p -79.15 -24.18 43.48 Favored 'General case' 0 N--CA 1.483 1.177 0 N-CA-C 115.724 1.75 . . . . 10.0 115.724 -175.023 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1921 ' ' SER . . . . . 0.502 ' HB3' ' HB ' ' A' 1913 ' ' THR . 22.9 t 22.63 58.0 0.03 OUTLIER 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 130.586 3.555 . . . . 10.0 112.416 -164.661 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1922 ' ' VAL . . . . . 0.724 HG21 HD11 ' A' 1900 ' ' LEU . 75.6 t -78.06 103.83 5.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 125.819 1.648 . . . . 10.0 109.932 -175.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1923 ' ' SER . . . . . . . . . . . . . 74.4 m -96.21 111.52 23.55 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.472 1.109 . . . . 10.0 109.294 168.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1924 ' ' TYR . . . . . . . . . . . . . 13.8 p90 -120.33 163.35 17.96 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.648 1.179 . . . . 10.0 110.243 178.465 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1925 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -142.74 93.14 6.89 Favored Pre-proline 0 CA--C 1.554 1.118 0 O-C-N 121.017 -1.052 . . . . 10.0 112.683 -171.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1926 ' ' PRO . . . . . . . . . . . . . 86.8 Cg_endo -72.41 152.63 55.06 Favored 'Trans proline' 0 CA--C 1.536 0.6 0 C-N-CA 123.866 3.044 . . . . 10.0 111.606 176.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1927 ' ' VAL . . . . . . . . . . . . . 35.1 m -122.35 -15.55 6.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 N-CA-C 115.797 1.776 . . . . 10.0 115.797 -168.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1928 ' ' LEU . . . . . . . . . . . . . 6.0 tt -140.03 122.88 10.19 Favored Pre-proline 0 CA--C 1.549 0.906 0 C-N-CA 124.715 1.206 . . . . 10.0 112.263 179.416 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1929 ' ' PRO . . . . . . . . . . . . . 88.0 Cg_exo -46.59 127.91 12.21 Favored 'Trans proline' 0 CA--C 1.537 0.654 0 C-N-CA 125.101 3.867 . . . . 10.0 114.218 -176.159 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1930 ' ' GLY . . . . . . . . . . . . . . . 179.05 178.66 48.4 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 115.174 0.829 . . . . 10.0 115.174 -170.04 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1931 ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -95.19 106.02 18.0 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.138 1.375 . . . . 10.0 110.222 172.157 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1932 ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -101.08 105.92 17.14 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.884 1.274 . . . . 10.0 109.441 -175.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1933 ' ' SER . . . . . . . . . . . . . 67.5 m -79.23 117.98 20.74 Favored 'General case' 0 N--CA 1.478 0.927 0 O-C-N 121.542 -0.724 . . . . 10.0 110.875 174.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1934 ' ' ILE . . . . . . . . . . . . . 7.0 mm -80.52 123.8 37.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 N-CA-C 107.445 -1.317 . . . . 10.0 107.445 170.142 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1935 ' ' LEU . . . . . . . . . . . . . 3.0 mm? -97.58 91.18 5.31 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 126.063 1.745 . . . . 10.0 108.389 170.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1936 ' ' VAL . . . . . . . . . . . . . 37.3 t -86.61 130.85 36.08 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 N-CA-C 108.767 -0.827 . . . . 10.0 108.767 174.247 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1937 ' ' LYS . . . . . . . . . . . . . 98.4 mttt -127.92 139.47 52.58 Favored 'General case' 0 C--O 1.232 0.162 0 C-N-CA 125.261 1.424 . . . . 10.0 111.742 -176.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1938 ' ' TYR . . . . . . . . . . . . . 25.0 t80 -126.73 115.36 19.29 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 125.358 1.463 . . . . 10.0 109.347 171.037 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1939 ' ' ASN . . . . . . . . . . . . . 8.6 t-20 52.64 57.51 6.32 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 126.038 1.735 . . . . 10.0 112.722 -170.208 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1940 ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 63.02 -8.18 0.13 Allowed 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 128.629 2.772 . . . . 10.0 117.374 178.246 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1941 ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -101.16 144.43 30.06 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.455 1.502 . . . . 10.0 110.267 176.298 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1942 ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -68.1 148.58 50.76 Favored 'General case' 0 CA--C 1.542 0.655 0 O-C-N 121.354 -0.841 . . . . 10.0 112.306 -177.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1943 ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -68.45 166.98 20.85 Favored Pre-proline 0 CA--C 1.546 0.822 0 C-N-CA 126.488 1.915 . . . . 10.0 113.195 -177.242 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1944 ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -64.5 -8.14 16.31 Favored 'Trans proline' 0 C--N 1.354 0.855 1 C-N-CA 126.341 4.694 . . . . 10.0 117.616 -173.123 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1945 ' ' GLY . . . . . . . . . . . . . . . -127.13 -4.22 6.03 Favored Glycine 0 CA--C 1.534 1.267 0 C-N-CA 127.688 2.565 . . . . 10.0 115.191 178.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1946 ' ' SER . . . . . . . . . . . . . 5.4 m -71.07 148.76 94.45 Favored Pre-proline 0 N--CA 1.481 1.107 0 CA-C-N 119.565 1.683 . . . . 10.0 113.188 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1947 ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -74.85 161.46 94.74 Favored 'Cis proline' 0 C--N 1.363 1.301 0 CA-C-N 119.567 0.881 . . . . 10.0 111.363 -4.296 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1948 ' ' PHE . . . . . . . . . . . . . 81.0 m-85 -109.9 96.36 6.19 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 124.508 1.123 . . . . 10.0 109.162 173.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1949 ' ' THR . . . . . . . . . . . . . 17.6 m -79.22 86.77 4.97 Favored 'General case' 0 C--O 1.241 0.643 0 C-N-CA 125.765 1.626 . . . . 10.0 110.527 -175.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1950 ' ' ALA . . . . . . . . . . . . . . . -75.3 152.06 38.25 Favored 'General case' 0 N--CA 1.446 -0.643 0 C-N-CA 123.866 0.867 . . . . 10.0 111.005 173.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1951 ' ' ARG . . . . . . . . . . . . . 53.6 ttt85 -122.79 96.52 5.05 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-O 121.963 0.887 . . . . 10.0 111.5 173.517 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1952 ' ' VAL . . . . . . . . . . . . . 6.2 t -67.11 106.66 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.314 -0.952 0 C-N-CA 131.08 3.752 . . . . 10.0 111.714 176.101 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1953 ' ' THR . . . . . . . . . . . . . 68.1 p -80.01 153.89 28.55 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 124.498 1.119 . . . . 10.0 111.845 -178.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1954 ' ' GLY . . . . . . . . . . . . . . . -82.8 46.9 3.69 Favored Glycine 0 N--CA 1.468 0.784 0 C-N-CA 126.704 2.097 . . . . 10.0 113.156 -178.44 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1955 ' ' ASP . . . . . . . . . . . . . 27.0 t70 -63.62 -32.6 74.12 Favored 'General case' 0 N--CA 1.48 1.07 0 O-C-N 121.277 -1.131 . . . . 10.0 113.94 -175.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1956 ' ' ASP . . . . . . . . . . . . . 33.6 t70 . . . . . 0 C--O 1.253 1.283 0 C-N-CA 126.131 1.773 . . . . 10.0 113.141 -179.269 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A 1868 ' ' VAL . . . . . . . . . . . . 0.285 8.9 p . . . . . 0 CA--C 1.554 1.128 0 N-CA-C 115.016 1.487 . . . . 10.0 115.016 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1869 ' ' THR . . . . . . . . . . . . . 3.3 m -143.2 133.41 24.49 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 125.494 1.518 . . . . 10.0 107.477 172.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1870 ' ' ALA . . . . . . . . . . . . . . . -72.13 155.57 40.12 Favored 'General case' 0 CA--C 1.549 0.904 0 CA-C-O 122.184 0.993 . . . . 10.0 112.012 -176.147 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1871 ' ' TYR . . . . . . . . . . . . . 20.2 p90 -148.74 152.41 36.55 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 126.816 2.046 . . . . 10.0 110.98 175.523 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1872 ' ' GLY . . . . . . . . . . . . . . . 142.44 168.71 11.89 Favored Glycine 0 N--CA 1.474 1.209 0 C-N-CA 125.214 1.388 . . . . 10.0 112.629 -176.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1873 ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo -70.55 -29.58 19.87 Favored 'Trans proline' 0 C--N 1.35 0.657 0 C-N-CA 123.1 2.533 . . . . 10.0 113.57 -178.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1874 ' ' GLY . . . . . . . . . . . . . . . -66.01 -12.9 58.68 Favored Glycine 0 C--N 1.35 1.333 0 N-CA-C 116.396 1.318 . . . . 10.0 116.396 -176.336 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1875 ' ' LEU . . . . . . . . . . . . . 18.7 mt -87.45 -14.91 39.19 Favored 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 113.286 0.847 . . . . 10.0 113.286 177.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1876 ' ' THR . . . . . . . . . . . . . 42.2 p -127.72 -31.4 2.45 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 125.173 1.389 . . . . 10.0 113.258 -174.257 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1877 ' ' HIS . . . . . . . . . . . . . 27.1 m-70 -138.06 -178.58 5.33 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 127.045 2.138 . . . . 10.0 111.691 173.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1878 ' ' GLY . . . . . . . . . . . . . . . -166.7 175.31 42.05 Favored Glycine 0 CA--C 1.537 1.444 0 C-N-CA 124.406 1.003 . . . . 10.0 112.78 179.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1879 ' ' VAL . . . . . . . . . . . . . 9.1 t -133.23 117.64 29.24 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 124.708 1.203 . . . . 10.0 110.073 172.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1880 ' ' VAL . . . . . 0.434 HG23 HG12 ' A' 1952 ' ' VAL . 72.8 t -61.39 135.95 25.48 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.25 0 C-N-CA 123.779 0.832 . . . . 10.0 110.123 179.57 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1881 ' ' ASN . . . . . . . . . . . . . 80.1 m-20 54.34 21.43 3.18 Favored 'General case' 0 CA--C 1.553 1.075 0 N-CA-C 116.568 2.062 . . . . 10.0 116.568 -176.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1882 ' ' LYS . . . . . . . . . . . . . 14.8 tppt? -135.09 144.22 49.24 Favored Pre-proline 0 CA--C 1.549 0.909 0 C-N-CA 125.103 1.361 . . . . 10.0 109.433 168.36 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1883 ' ' PRO . . . . . . . . . . . . . 67.7 Cg_exo -56.67 135.64 71.64 Favored 'Trans proline' 0 CA--C 1.54 0.776 0 C-N-CA 123.506 2.804 . . . . 10.0 114.48 -168.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1884 ' ' ALA . . . . . . . . . . . . . . . -111.45 145.61 38.67 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.048 1.339 . . . . 10.0 111.204 172.011 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1885 ' ' THR . . . . . . . . . . . . . 71.1 p -148.99 159.3 44.34 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 125.639 1.576 . . . . 10.0 113.94 -170.251 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1886 ' ' PHE . . . . . . . . . . . . . 31.9 p90 -154.93 175.85 13.26 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 126.824 2.05 . . . . 10.0 111.896 167.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1887 ' ' THR . . . . . . . . . . . . . 55.4 m -134.1 145.54 49.44 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 127.386 2.274 . . . . 10.0 109.421 -174.316 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1888 ' ' VAL . . . . . 0.458 HG12 ' CB ' ' A' 1920 ' ' CYS . 10.2 p -149.49 86.33 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 CA-C-N 120.298 1.408 . . . . 10.0 114.329 -179.143 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1889 ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -84.0 111.39 19.24 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.536 1.134 . . . . 10.0 113.597 -169.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 22.9 p -90.57 98.02 11.53 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 126.647 1.979 . . . . 10.0 111.115 -178.267 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1891 ' ' LYS . . . . . . . . . . . . . 5.4 mtpm? -91.66 -85.96 0.23 Allowed 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 126.173 1.789 . . . . 10.0 111.322 -178.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 33.4 t70 -75.57 -31.82 60.14 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.562 1.145 . . . . 10.0 113.516 -171.051 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1893 ' ' ALA . . . . . . . . . . . . . . . -70.24 -27.28 64.33 Favored 'General case' 0 CA--C 1.55 0.977 0 N-CA-C 114.849 1.426 . . . . 10.0 114.849 -170.171 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.8 0 C-N-CA 124.724 1.154 . . . . 10.0 112.845 -175.321 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A 1898 ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.474 0.752 0 N-CA-C 113.611 0.967 . . . . 10.0 113.611 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1899 ' ' SER . . . . . . . . . . . . . 4.9 t -154.74 165.53 36.3 Favored 'General case' 0 N--CA 1.476 0.855 0 O-C-N 120.812 -1.18 . . . . 10.0 111.995 176.36 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1900 ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -160.76 168.21 25.27 Favored 'General case' 0 N--CA 1.441 -0.918 0 C-N-CA 124.101 0.96 . . . . 10.0 113.531 -167.176 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1901 ' ' ALA . . . . . . . . . . . . . . . -150.59 167.56 26.91 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 126.023 1.729 . . . . 10.0 111.012 169.178 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1902 ' ' ILE . . . . . . . . . . . . . 3.6 mp -123.01 125.88 72.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 C-N-CA 126.011 1.724 . . . . 10.0 108.931 172.214 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1903 ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -123.35 175.68 6.58 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 127.297 2.239 . . . . 10.0 110.888 173.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1904 ' ' GLY . . . . . . . . . . . . . . . 166.25 -154.99 25.92 Favored Glycine 0 CA--C 1.542 1.758 0 O-C-N 120.944 -1.097 . . . . 10.0 111.041 -176.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1905 ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -71.33 -13.41 30.66 Favored 'Trans proline' 0 CA--C 1.537 0.63 0 C-N-CA 122.359 2.039 . . . . 10.0 113.028 170.142 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1906 ' ' SER . . . . . . . . . . . . . 14.4 t -153.24 170.62 20.14 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 128.699 2.8 . . . . 10.0 109.635 -169.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1907 ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -91.55 166.28 12.91 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-O 122.056 0.931 . . . . 10.0 112.026 176.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1908 ' ' ALA . . . . . . . . . . . . . . . -139.27 119.98 14.21 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 126.002 1.721 . . . . 10.0 108.62 172.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1909 ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -62.76 122.99 17.27 Favored 'General case' 0 N--CA 1.468 0.465 0 O-C-N 120.792 -1.192 . . . . 10.0 110.361 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1910 ' ' ILE . . . . . . . . . . . . . 47.2 mt -100.13 133.85 41.74 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 C-N-CA 124.471 1.108 . . . . 10.0 111.019 -173.38 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1911 ' ' SER . . . . . . . . . . . . . 38.9 m -125.29 157.92 35.44 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 126.331 1.852 . . . . 10.0 112.418 170.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1912 ' ' CYS . . . . . . . . . . . . . 29.9 p -141.8 179.41 6.87 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 127.187 2.195 . . . . 10.0 110.709 176.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1913 ' ' THR . . . . . . . . . . . . . 30.1 m -136.95 156.98 47.76 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 127.066 2.146 . . . . 10.0 110.668 179.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1914 ' ' ASP . . . . . . . . . . . . . 8.5 t70 -60.1 104.29 0.3 Allowed 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 124.359 1.063 . . . . 10.0 110.324 175.473 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1915 ' ' ASN . . . . . . . . . . . . . 18.8 p-10 -75.51 54.69 0.77 Allowed 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 127.495 2.318 . . . . 10.0 115.255 -167.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1916 ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -60.38 -18.39 50.04 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 124.968 1.307 . . . . 10.0 114.354 171.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1917 ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -93.93 2.03 56.2 Favored 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 126.326 1.851 . . . . 10.0 113.538 178.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1918 ' ' GLY . . . . . . . . . . . . . . . 71.53 34.69 63.21 Favored Glycine 0 CA--C 1.537 1.411 0 CA-C-N 119.448 1.022 . . . . 10.0 114.113 172.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1919 ' ' THR . . . . . . . . . . . . . 10.0 t -152.06 154.33 35.73 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.235 1.414 . . . . 10.0 112.318 179.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1920 ' ' CYS . . . . . 0.458 ' CB ' HG12 ' A' 1888 ' ' VAL . 0.5 OUTLIER -82.88 105.55 13.99 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 119.135 0.879 . . . . 10.0 111.497 179.732 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A 1921 ' ' SER . . . . . . . . . . . . . 68.6 m -79.06 59.5 2.71 Favored 'General case' 0 CA--C 1.551 0.992 0 CA-C-O 122.684 1.23 . . . . 10.0 111.843 177.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1922 ' ' VAL . . . . . . . . . . . . . 41.8 t -74.56 119.75 22.59 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 125.552 1.541 . . . . 10.0 111.493 -173.103 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1923 ' ' SER . . . . . . . . . . . . . 50.6 m -127.08 131.72 50.81 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 124.897 1.279 . . . . 10.0 110.571 176.004 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1924 ' ' TYR . . . . . . . . . . . . . 18.7 p90 -145.88 176.33 9.76 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.406 1.082 . . . . 10.0 111.169 -178.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1925 ' ' LEU . . . . . . . . . . . . . 1.3 mt -142.71 101.01 5.49 Favored Pre-proline 0 CA--C 1.557 1.219 0 C-N-CA 124.264 1.026 . . . . 10.0 109.789 -174.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1926 ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -70.86 132.17 21.06 Favored 'Trans proline' 0 C--N 1.353 0.78 0 C-N-CA 122.938 2.425 . . . . 10.0 111.741 174.139 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1927 ' ' VAL . . . . . . . . . . . . . 28.3 m -94.83 -17.17 7.18 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.392 0 N-CA-C 113.315 0.857 . . . . 10.0 113.315 -172.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1928 ' ' LEU . . . . . . . . . . . . . 15.8 mt -142.3 160.61 54.05 Favored Pre-proline 0 CA--C 1.547 0.836 0 C-N-CA 126.6 1.96 . . . . 10.0 111.101 172.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1929 ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -71.48 154.76 60.38 Favored 'Trans proline' 0 C--N 1.351 0.689 0 C-N-CA 124.079 3.186 . . . . 10.0 111.419 177.067 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1930 ' ' GLY . . . . . . . . . . . . . . . 167.53 179.14 40.14 Favored Glycine 0 CA--C 1.537 1.427 0 N-CA-C 116.288 1.275 . . . . 10.0 116.288 -175.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1931 ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -90.67 87.63 6.78 Favored 'General case' 0 C--O 1.245 0.833 0 C-N-CA 128.283 2.633 . . . . 10.0 108.602 171.068 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1932 ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -86.72 116.08 24.59 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 120.953 -1.092 . . . . 10.0 112.093 -174.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1933 ' ' SER . . . . . . . . . . . . . 61.6 m -78.39 128.5 33.73 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 123.73 0.812 . . . . 10.0 111.508 174.068 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1934 ' ' ILE . . . . . . . . . . . . . 7.8 mm -99.5 120.2 48.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 C-N-CA 126.49 1.916 . . . . 10.0 107.147 167.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1935 ' ' LEU . . . . . . . . . . . . . 2.6 mm? -106.74 66.54 0.69 Allowed 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 125.315 1.446 . . . . 10.0 110.172 -172.374 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1936 ' ' VAL . . . . . . . . . . . . . 59.7 t -74.53 133.53 31.35 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 O-C-N 121.142 -0.974 . . . . 10.0 111.746 177.123 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1937 ' ' LYS . . . . . . . . . . . . . 67.7 mttm -125.5 151.82 45.8 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 128.314 2.646 . . . . 10.0 113.402 177.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1938 ' ' TYR . . . . . . . . . . . . . 4.4 t80 -128.25 95.92 4.3 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 125.541 1.536 . . . . 10.0 109.709 169.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1939 ' ' ASN . . . . . . . . . . . . . 2.5 t30 52.51 78.4 0.13 Allowed 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 127.2 2.2 . . . . 10.0 112.648 -170.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1940 ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 70.78 -15.11 0.4 Allowed 'General case' 0 C--O 1.251 1.183 0 C-N-CA 129.764 3.226 . . . . 10.0 117.444 172.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1941 ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -118.76 147.26 44.06 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 125.949 1.7 . . . . 10.0 110.668 -177.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1942 ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -65.02 153.12 41.63 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-O 121.93 0.871 . . . . 10.0 113.289 -174.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1943 ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -71.29 167.38 30.24 Favored Pre-proline 0 CA--C 1.556 1.177 0 C-N-CA 126.492 1.917 . . . . 10.0 112.433 179.084 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1944 ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -61.67 97.19 0.14 Allowed 'Trans proline' 0 CA--C 1.536 0.617 0 C-N-CA 123.998 3.132 . . . . 10.0 112.504 -178.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1945 ' ' GLY . . . . . . . . . . . . . . . 98.88 -6.42 60.25 Favored Glycine 0 CA--C 1.539 1.583 0 CA-C-O 117.662 -1.632 . . . . 10.0 116.754 -176.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1946 ' ' SER . . . . . . . . . . . . . 39.3 m -70.04 156.09 92.37 Favored Pre-proline 0 CA--C 1.549 0.942 0 CA-C-N 119.836 1.818 . . . . 10.0 110.821 173.008 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1947 ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo -73.69 165.83 83.72 Favored 'Cis proline' 0 C--N 1.353 0.801 0 N-CA-C 114.545 0.941 . . . . 10.0 114.545 -2.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1948 ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -114.49 117.33 30.67 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 126.02 1.728 . . . . 10.0 111.808 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1949 ' ' THR . . . . . . . . . . . . . 46.5 m -92.24 97.32 10.82 Favored 'General case' 0 N--CA 1.481 1.121 0 O-C-N 120.812 -1.18 . . . . 10.0 112.177 -179.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1950 ' ' ALA . . . . . . . . . . . . . . . -83.36 152.96 24.82 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 124.501 1.12 . . . . 10.0 113.763 178.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1951 ' ' ARG . . . . . . . . . . . . . 40.9 mtt180 -123.65 83.44 2.14 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-O 123.32 1.534 . . . . 10.0 113.906 -177.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1952 ' ' VAL . . . . . 0.434 HG12 HG23 ' A' 1880 ' ' VAL . 2.8 t -60.53 100.72 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.728 0 C-N-CA 130.046 3.338 . . . . 10.0 112.368 175.296 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1953 ' ' THR . . . . . . . . . . . . . 26.0 m -67.25 132.79 48.45 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.757 1.623 . . . . 10.0 110.815 175.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1954 ' ' GLY . . . . . . . . . . . . . . . -67.03 169.16 35.89 Favored Glycine 0 CA--C 1.542 1.73 0 N-CA-C 115.941 1.136 . . . . 10.0 115.941 -179.254 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1955 ' ' ASP . . . . . . . . . . . . . 32.8 t70 -139.79 -31.89 0.65 Allowed 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.453 1.501 . . . . 10.0 112.145 176.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1956 ' ' ASP . . . . . . . . . . . . . 6.2 p-10 . . . . . 0 C--O 1.252 1.193 0 C-N-CA 126.98 2.112 . . . . 10.0 114.026 179.952 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A 1868 ' ' VAL . . . . . . . . . . . . . 6.0 p . . . . . 0 N--CA 1.476 0.845 0 CA-C-O 121.431 0.634 . . . . 10.0 112.159 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A 1869 ' ' THR . . . . . . . . . . . . . 6.4 m -123.91 141.47 52.0 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 124.288 1.035 . . . . 10.0 109.133 -176.139 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1870 ' ' ALA . . . . . . . . . . . . . . . -122.43 127.13 49.27 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.204 1.001 . . . . 10.0 110.9 172.207 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1871 ' ' TYR . . . . . . . . . . . . . 39.1 p90 -156.05 174.49 15.28 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 126.559 1.943 . . . . 10.0 109.774 -171.127 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1872 ' ' GLY . . . . . . . . . . . . . . . 119.73 169.45 14.17 Favored Glycine 0 CA--C 1.536 1.385 0 O-C-N 121.051 -1.031 . . . . 10.0 114.57 174.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1873 ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -66.44 -29.62 44.98 Favored 'Trans proline' 0 CA--C 1.536 0.612 0 C-N-CA 122.754 2.303 . . . . 10.0 112.461 -173.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1874 ' ' GLY . . . . . . . . . . . . . . . -66.23 -0.73 8.1 Favored Glycine 0 N--CA 1.473 1.128 0 CA-C-O 118.716 -1.047 . . . . 10.0 115.399 175.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1875 ' ' LEU . . . . . . . . . . . . . 21.0 mt -107.65 -2.74 19.9 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-N 119.251 1.525 . . . . 10.0 113.74 171.308 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1876 ' ' THR . . . . . . . . . . . . . 60.2 p -134.13 -15.92 2.22 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 125.676 1.59 . . . . 10.0 114.551 -178.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1877 ' ' HIS . . . . . . . . . . . . . 2.7 t-80 -148.2 177.13 9.66 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 127.784 2.434 . . . . 10.0 112.697 178.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1878 ' ' GLY . . . . . . . . . . . . . . . -169.08 169.38 41.85 Favored Glycine 0 CA--C 1.54 1.633 0 C-N-CA 125.575 1.56 . . . . 10.0 113.417 179.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1879 ' ' VAL . . . . . . . . . . . . . 11.9 t -130.84 121.25 49.59 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 C-N-CA 125.61 1.564 . . . . 10.0 111.126 174.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1880 ' ' VAL . . . . . . . . . . . . . 28.6 t -69.12 133.68 31.46 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.385 0 O-C-N 120.687 -1.258 . . . . 10.0 111.036 178.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1881 ' ' ASN . . . . . . . . . . . . . 78.7 m-20 65.13 7.65 4.26 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 127.785 2.434 . . . . 10.0 116.086 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1882 ' ' LYS . . . . . 0.412 ' HA ' ' HD3' ' A' 1883 ' ' PRO . 5.0 tmmm? -133.92 139.74 34.29 Favored Pre-proline 0 N--CA 1.484 1.255 0 CA-C-N 120.576 1.535 . . . . 10.0 111.715 169.285 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1883 ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' 1882 ' ' LYS . 73.8 Cg_exo -54.04 145.73 51.44 Favored 'Trans proline' 0 C--O 1.238 0.485 0 C-N-CA 123.502 2.801 . . . . 10.0 115.243 -169.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1884 ' ' ALA . . . . . . . . . . . . . . . -128.17 158.03 39.19 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 125.061 1.345 . . . . 10.0 111.251 174.103 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1885 ' ' THR . . . . . . . . . . . . . 74.5 p -143.25 157.68 44.28 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.828 1.251 . . . . 10.0 114.282 -172.006 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1886 ' ' PHE . . . . . . . . . . . . . 43.6 p90 -150.96 169.7 21.13 Favored 'General case' 0 CA--C 1.556 1.175 0 C-N-CA 124.018 0.927 . . . . 10.0 112.424 169.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1887 ' ' THR . . . . . . . . . . . . . 16.5 m -111.81 146.55 37.44 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.329 1.451 . . . . 10.0 110.967 -169.248 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1888 ' ' VAL . . . . . . . . . . . . . 2.4 m -150.14 42.04 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.164 0 C-N-CA 126.826 2.051 . . . . 10.0 110.981 -168.032 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1889 ' ' ASN . . . . . . . . . . . . . 60.8 t-20 -48.32 104.97 0.07 Allowed 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 128.326 2.65 . . . . 10.0 112.75 -176.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 1.1 p -76.24 58.78 1.3 Allowed 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 128.727 2.811 . . . . 10.0 114.175 -172.577 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1891 ' ' LYS . . . . . . . . . . . . . 36.6 mtpt -65.47 109.63 2.39 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 127.477 2.311 . . . . 10.0 110.559 179.127 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 25.8 t70 50.51 28.64 3.5 Favored 'General case' 0 CA--C 1.555 1.166 0 C-N-CA 127.033 2.133 . . . . 10.0 113.596 -177.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1893 ' ' ALA . . . . . . . . . . . . . . . -72.35 -40.24 67.5 Favored 'General case' 0 CA--C 1.55 0.97 0 N-CA-C 115.252 1.575 . . . . 10.0 115.252 -168.516 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.239 0 C-N-CA 124.72 1.152 . . . . 10.0 113.308 -170.299 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A 1898 ' ' LEU . . . . . 0.407 ' HB3' ' CD2' ' A' 1938 ' ' TYR . 0.0 OUTLIER . . . . . 0 CA--C 1.541 0.622 0 N-CA-C 113.806 1.039 . . . . 10.0 113.806 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1899 ' ' SER . . . . . . . . . . . . . 14.4 t -153.8 146.19 23.97 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 126.094 1.758 . . . . 10.0 111.081 175.001 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1900 ' ' LEU . . . . . 0.474 HD11 HG21 ' A' 1922 ' ' VAL . 51.2 mt -107.36 153.21 23.09 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 124.671 1.188 . . . . 10.0 113.252 173.302 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1901 ' ' ALA . . . . . . . . . . . . . . . -145.43 150.19 36.07 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 125.268 1.427 . . . . 10.0 108.269 163.443 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1902 ' ' ILE . . . . . . . . . . . . . 1.1 mp -128.25 141.05 47.54 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.59 0 C-N-CA 125.973 1.709 . . . . 10.0 109.416 174.347 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1903 ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -129.92 173.66 10.48 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 126.627 1.971 . . . . 10.0 110.278 176.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1904 ' ' GLY . . . . . . . . . . . . . . . 146.88 -162.49 28.55 Favored Glycine 0 CA--C 1.538 1.514 0 O-C-N 120.959 -1.088 . . . . 10.0 111.502 -170.39 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1905 ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -72.43 -15.26 27.95 Favored 'Trans proline' 0 CA--C 1.542 0.891 0 C-N-CA 123.692 2.928 . . . . 10.0 113.135 171.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1906 ' ' SER . . . . . . . . . . . . . 12.7 t -154.43 -179.32 7.84 Favored 'General case' 0 C--O 1.246 0.91 0 C-N-CA 126.794 2.037 . . . . 10.0 110.087 -167.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1907 ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -133.63 174.68 10.17 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 126.191 1.796 . . . . 10.0 111.977 -173.246 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1908 ' ' ALA . . . . . . . . . . . . . . . -148.07 158.11 43.88 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.447 1.099 . . . . 10.0 111.198 -177.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1909 ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -89.89 102.1 14.8 Favored 'General case' 0 CA--C 1.552 1.029 0 O-C-N 120.867 -1.145 . . . . 10.0 110.461 176.07 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1910 ' ' ILE . . . . . . . . . . . . . 83.1 mt -74.34 145.73 10.83 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 126.21 1.804 . . . . 10.0 110.643 -176.248 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1911 ' ' SER . . . . . . . . . . . . . 22.8 t -144.66 155.63 43.69 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 127.881 2.472 . . . . 10.0 110.019 170.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1912 ' ' CYS . . . . . . . . . . . . . 80.5 m -139.64 152.51 46.83 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 125.984 1.714 . . . . 10.0 110.692 179.268 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1913 ' ' THR . . . . . . . . . . . . . 88.6 m -135.5 114.97 12.61 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.19 0.996 . . . . 10.0 111.848 179.3 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1914 ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -67.93 88.43 0.27 Allowed 'General case' 0 C--O 1.244 0.813 0 C-N-CA 124.492 1.117 . . . . 10.0 111.288 170.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1915 ' ' ASN . . . . . . . . . . . . . 61.4 t30 -80.52 153.61 28.02 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.197 1.399 . . . . 10.0 110.777 -173.522 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1916 ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -61.8 -20.05 63.2 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 127.618 2.367 . . . . 10.0 114.564 175.097 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1917 ' ' ASP . . . . . . . . . . . . . 19.3 t70 -88.37 -2.41 58.58 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 121.245 -0.909 . . . . 10.0 112.617 179.228 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1918 ' ' GLY . . . . . . . . . . . . . . . 95.71 30.31 8.11 Favored Glycine 0 CA--C 1.535 1.283 0 N-CA-C 116.097 1.199 . . . . 10.0 116.097 173.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1919 ' ' THR . . . . . . . . . . . . . 8.6 t -132.0 158.21 42.08 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 125.816 1.646 . . . . 10.0 111.997 178.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1920 ' ' CYS . . . . . . . . . . . . . 1.9 t -96.15 9.62 40.34 Favored 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 125.677 1.591 . . . . 10.0 113.818 -176.274 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1921 ' ' SER . . . . . . . . . . . . . 74.7 m 15.97 90.75 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 130.305 3.442 . . . . 10.0 116.325 175.007 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1922 ' ' VAL . . . . . 0.474 HG21 HD11 ' A' 1900 ' ' LEU . 69.4 t -84.78 142.88 12.71 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 C-N-CA 125.06 1.344 . . . . 10.0 112.079 -173.358 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1923 ' ' SER . . . . . . . . . . . . . 27.5 t -132.9 149.0 52.29 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 125.238 1.415 . . . . 10.0 111.672 169.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1924 ' ' TYR . . . . . . . . . . . . . 18.7 p90 -152.65 170.69 19.61 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 127.032 2.133 . . . . 10.0 110.136 175.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1925 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -149.44 95.09 3.82 Favored Pre-proline 0 CA--C 1.552 1.039 0 O-C-N 121.12 -0.987 . . . . 10.0 111.133 -175.014 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1926 ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -72.6 146.34 43.63 Favored 'Trans proline' 0 C--N 1.354 0.833 0 C-N-CA 123.067 2.512 . . . . 10.0 112.354 -179.28 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1927 ' ' VAL . . . . . . . . . . . . . 35.6 m -106.51 -9.73 10.44 Favored 'Isoleucine or valine' 0 C--O 1.243 0.744 0 C-N-CA 125.339 1.456 . . . . 10.0 114.712 -179.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1928 ' ' LEU . . . . . . . . . . . . . 18.3 mt -142.25 158.21 61.64 Favored Pre-proline 0 CA--C 1.553 1.06 0 C-N-CA 125.337 1.455 . . . . 10.0 112.165 169.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1929 ' ' PRO . . . . . . . . . . . . . 9.8 Cg_exo -61.64 163.27 18.83 Favored 'Trans proline' 0 CA--C 1.545 1.031 0 C-N-CA 123.099 2.532 . . . . 10.0 112.322 172.175 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1930 ' ' GLY . . . . . . . . . . . . . . . 156.81 178.99 31.43 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 116.085 1.194 . . . . 10.0 116.085 172.197 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1931 ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -94.81 82.59 3.9 Favored 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 126.239 1.816 . . . . 10.0 108.874 174.363 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1932 ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -78.96 103.9 9.23 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.251 1.42 . . . . 10.0 111.966 -172.504 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1933 ' ' SER . . . . . . . . . . . . . 32.2 t -63.6 142.36 58.43 Favored 'General case' 0 CA--C 1.541 0.635 0 O-C-N 120.421 -1.424 . . . . 10.0 111.038 172.199 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1934 ' ' ILE . . . . . . . . . . . . . 5.3 mm -124.13 122.68 64.9 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 126.224 1.81 . . . . 10.0 110.764 178.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1935 ' ' LEU . . . . . . . . . . . . . 2.2 mm? -115.33 78.36 1.16 Allowed 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 127.344 2.258 . . . . 10.0 109.87 -172.13 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1936 ' ' VAL . . . . . . . . . . . . . 22.1 t -81.43 104.76 10.46 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.26 0 C-N-CA 125.47 1.508 . . . . 10.0 110.04 178.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1937 ' ' LYS . . . . . . . . . . . . . 60.9 mttp -100.16 141.21 33.3 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 123.923 0.889 . . . . 10.0 112.013 178.193 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1938 ' ' TYR . . . . . 0.407 ' CD2' ' HB3' ' A' 1898 ' ' LEU . 1.6 t80 -136.22 113.43 10.61 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 126.503 1.921 . . . . 10.0 108.113 169.148 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1939 ' ' ASN . . . . . . . . . . . . . 1.1 t30 54.83 73.13 0.43 Allowed 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.726 1.611 . . . . 10.0 113.808 -173.091 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1940 ' ' GLU . . . . . . . . . . . . . 19.7 tt0 65.58 -6.14 0.43 Allowed 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 127.906 2.482 . . . . 10.0 115.845 170.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1941 ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -140.04 164.6 29.6 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.333 1.453 . . . . 10.0 112.531 -179.306 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1942 ' ' HIS . . . . . . . . . . . . . 34.0 m170 -70.02 149.06 48.1 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 113.695 0.998 . . . . 10.0 113.695 -175.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1943 ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -70.73 167.04 30.91 Favored Pre-proline 0 C--O 1.242 0.672 0 C-N-CA 126.992 2.117 . . . . 10.0 112.061 178.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1944 ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -59.71 111.82 1.08 Allowed 'Trans proline' 0 CA--C 1.534 0.504 1 C-N-CA 126.129 4.553 . . . . 10.0 112.474 178.816 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1945 ' ' GLY . . . . . . . . . . . . . . . 98.52 -15.31 61.24 Favored Glycine 0 N--CA 1.476 1.334 0 C-N-CA 126.154 1.835 . . . . 10.0 115.382 -179.078 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1946 ' ' SER . . . . . . . . . . . . . 12.7 m -72.83 155.77 90.4 Favored Pre-proline 0 C--O 1.249 1.07 0 CA-C-N 118.595 1.198 . . . . 10.0 113.955 173.236 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1947 ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -73.72 167.95 77.82 Favored 'Cis proline' 0 CA--C 1.538 0.688 0 CA-C-N 119.91 1.004 . . . . 10.0 114.216 -1.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1948 ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -124.01 170.39 10.69 Favored 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 126.371 1.869 . . . . 10.0 110.882 174.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1949 ' ' THR . . . . . . . . . . . . . 28.8 m -142.1 99.87 3.61 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 125.417 1.487 . . . . 10.0 110.92 176.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1950 ' ' ALA . . . . . . . . . . . . . . . -74.91 157.47 34.98 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.139 0.976 . . . . 10.0 113.364 175.207 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1951 ' ' ARG . . . . . . . . . . . . . 39.1 ttp180 -120.68 87.18 2.7 Favored 'General case' 0 C--N 1.348 0.501 0 C-N-CA 125.472 1.509 . . . . 10.0 113.108 177.111 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1952 ' ' VAL . . . . . . . . . . . . . 2.1 t -65.1 93.47 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 126.951 2.1 . . . . 10.0 108.771 169.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1953 ' ' THR . . . . . . . . . . . . . 11.3 t -68.69 -32.24 71.91 Favored 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 115.88 1.807 . . . . 10.0 115.88 -167.519 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1954 ' ' GLY . . . . . . . . . . . . . . . 66.82 -174.27 25.29 Favored Glycine 0 CA--C 1.546 1.977 0 C-N-CA 124.995 1.283 . . . . 10.0 116.202 -178.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1955 ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -137.64 -43.38 0.54 Allowed 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 125.166 1.386 . . . . 10.0 113.586 -171.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1956 ' ' ASP . . . . . . . . . . . . . 33.3 t70 . . . . . 0 C--O 1.254 1.312 0 C-N-CA 125.517 1.527 . . . . 10.0 113.294 -177.428 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A 1868 ' ' VAL . . . . . . . . . . . . . 9.0 p . . . . . 0 N--CA 1.477 0.887 0 CA-C-O 121.515 0.674 . . . . 10.0 111.471 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A 1869 ' ' THR . . . . . . . . . . . . . 18.2 m -138.91 153.09 48.23 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.979 1.312 . . . . 10.0 110.484 -177.469 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1870 ' ' ALA . . . . . . . . . . . . . . . -123.84 126.78 47.04 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 126.375 1.87 . . . . 10.0 109.654 168.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1871 ' ' TYR . . . . . . . . . . . . . 54.2 p90 -149.36 156.39 41.98 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.251 1.02 . . . . 10.0 113.708 -175.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1872 ' ' GLY . . . . . . . . . . . . . . . 139.13 173.45 13.04 Favored Glycine 0 CA--C 1.534 1.266 0 C-N-CA 126.36 1.933 . . . . 10.0 115.073 179.371 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1873 ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -69.79 -24.81 29.12 Favored 'Trans proline' 0 C--N 1.351 0.665 0 C-N-CA 123.108 2.538 . . . . 10.0 112.609 179.415 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1874 ' ' GLY . . . . . . . . . . . . . . . -69.84 -7.73 59.49 Favored Glycine 0 CA--C 1.534 1.27 0 N-CA-C 116.022 1.169 . . . . 10.0 116.022 -178.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1875 ' ' LEU . . . . . . . . . . . . . 65.2 mt -87.2 -16.01 36.56 Favored 'General case' 0 CA--C 1.554 1.116 0 CA-C-N 119.022 1.411 . . . . 10.0 113.864 174.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1876 ' ' THR . . . . . . . . . . . . . 40.0 p -127.86 -30.65 2.48 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 125.022 1.329 . . . . 10.0 113.607 -171.531 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1877 ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -132.71 -179.81 5.69 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 125.648 1.579 . . . . 10.0 111.332 177.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1878 ' ' GLY . . . . . . . . . . . . . . . -168.8 177.01 42.86 Favored Glycine 0 CA--C 1.543 1.804 0 O-C-N 121.041 -1.037 . . . . 10.0 112.665 171.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1879 ' ' VAL . . . . . . . . . . . . . 7.4 p -136.49 134.18 49.34 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 124.673 1.189 . . . . 10.0 111.65 167.612 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1880 ' ' VAL . . . . . 0.517 HG23 HG12 ' A' 1952 ' ' VAL . 31.8 t -80.7 144.77 10.06 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 126.214 1.806 . . . . 10.0 111.797 -168.579 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1881 ' ' ASN . . . . . . . . . . . . . 2.1 m-80 66.79 10.14 7.3 Favored 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 126.409 1.883 . . . . 10.0 114.523 178.185 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1882 ' ' LYS . . . . . 0.427 ' HA ' ' HD3' ' A' 1883 ' ' PRO . 35.9 tptt -134.48 145.57 55.7 Favored Pre-proline 0 N--CA 1.472 0.656 0 C-N-CA 127.81 2.444 . . . . 10.0 109.829 173.402 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1883 ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' 1882 ' ' LYS . 51.0 Cg_exo -55.06 140.57 80.31 Favored 'Trans proline' 0 C--O 1.238 0.492 0 C-N-CA 123.45 2.767 . . . . 10.0 115.411 -175.382 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1884 ' ' ALA . . . . . . . . . . . . . . . -121.11 151.23 40.12 Favored 'General case' 0 C--O 1.242 0.699 0 C-N-CA 125.765 1.626 . . . . 10.0 110.997 173.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1885 ' ' THR . . . . . . . . . . . . . 58.9 p -150.25 160.85 43.39 Favored 'General case' 0 N--CA 1.483 1.196 0 O-C-N 121.295 -0.878 . . . . 10.0 113.032 -170.42 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1886 ' ' PHE . . . . . . . . . . . . . 39.1 p90 -149.5 151.34 33.77 Favored 'General case' 0 C--O 1.24 0.575 0 C-N-CA 125.176 1.391 . . . . 10.0 110.302 165.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1887 ' ' THR . . . . . . . . . . . . . 47.9 m -91.05 138.3 31.71 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 124.584 1.154 . . . . 10.0 110.807 179.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1888 ' ' VAL . . . . . . . . . . . . . 1.6 m -127.47 148.37 32.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 125.529 1.531 . . . . 10.0 109.352 169.108 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1889 ' ' ASN . . . . . . . . . . . . . 26.2 t30 -133.58 96.69 3.75 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 125.684 1.594 . . . . 10.0 111.913 -168.13 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 7.9 p -91.74 13.63 17.63 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 125.537 1.535 . . . . 10.0 113.759 -171.478 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1891 ' ' LYS . . . . . . . . . . . . . 53.7 mtpt -61.6 123.69 18.61 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 125.858 1.663 . . . . 10.0 112.481 -177.421 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 29.2 t70 50.54 20.69 0.74 Allowed 'General case' 0 CA--C 1.555 1.152 0 C-N-CA 126.426 1.89 . . . . 10.0 115.86 -176.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1893 ' ' ALA . . . . . . . . . . . . . . . -69.24 -24.27 63.98 Favored 'General case' 0 CA--C 1.551 0.981 0 N-CA-C 114.947 1.462 . . . . 10.0 114.947 -174.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.402 0 C-N-CA 124.906 1.241 . . . . 10.0 111.682 -174.082 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A 1898 ' ' LEU . . . . . . . . . . . . . 3.1 tm? . . . . . 0 CA--C 1.544 0.716 0 CA-C-O 120.202 0.049 . . . . 10.0 111.129 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A 1899 ' ' SER . . . . . . . . . . . . . 21.3 t -151.06 147.16 26.76 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.969 1.308 . . . . 10.0 111.321 176.019 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1900 ' ' LEU . . . . . 0.426 HD21 HG21 ' A' 1922 ' ' VAL . 3.3 pp -158.63 168.14 27.69 Favored 'General case' 0 N--CA 1.446 -0.638 0 N-CA-C 114.387 1.254 . . . . 10.0 114.387 -173.676 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1901 ' ' ALA . . . . . . . . . . . . . . . -155.43 167.58 29.9 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.036 1.334 . . . . 10.0 112.216 168.477 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1902 ' ' ILE . . . . . . . . . . . . . 2.4 mp -123.77 120.8 60.75 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 C-N-CA 125.502 1.521 . . . . 10.0 108.616 179.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1903 ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -89.74 178.63 6.2 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 126.004 1.722 . . . . 10.0 110.852 169.318 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1904 ' ' GLY . . . . . . . . . . . . . . . 158.68 -169.18 35.03 Favored Glycine 0 CA--C 1.539 1.576 0 C-N-CA 125.237 1.398 . . . . 10.0 113.053 -179.176 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1905 ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -70.49 -19.12 33.05 Favored 'Trans proline' 0 CA--C 1.546 1.096 0 C-N-CA 122.611 2.207 . . . . 10.0 112.001 173.527 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1906 ' ' SER . . . . . . . . . . . . . 20.2 t -147.87 118.13 7.34 Favored 'General case' 0 C--O 1.234 0.271 0 C-N-CA 129.987 3.315 . . . . 10.0 109.162 -169.477 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1907 ' ' LYS . . . . . . . . . . . . . 64.4 mmtt -64.05 110.86 2.29 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 127.126 2.17 . . . . 10.0 111.822 -171.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1908 ' ' ALA . . . . . . . . . . . . . . . -67.72 150.06 49.17 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.09 1.356 . . . . 10.0 112.63 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1909 ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -85.78 102.35 13.59 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.271 1.428 . . . . 10.0 110.87 174.145 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1910 ' ' ILE . . . . . . . . . . . . . 20.9 mm -77.4 131.03 35.54 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.782 0 C-N-CA 124.553 1.141 . . . . 10.0 110.396 -173.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1911 ' ' SER . . . . . . . . . . . . . 8.4 t -146.73 169.98 17.93 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 127.553 2.341 . . . . 10.0 113.249 169.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1912 ' ' CYS . . . . . . . . . . . . . 27.6 p -149.59 164.61 34.65 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.979 1.311 . . . . 10.0 112.02 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1913 ' ' THR . . . . . . . . . . . . . 31.8 m -127.02 122.28 33.99 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.501 1.12 . . . . 10.0 111.601 -175.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1914 ' ' ASP . . . . . . . . . . . . . 34.6 t70 -71.31 135.58 47.45 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 123.647 0.779 . . . . 10.0 112.822 168.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1915 ' ' ASN . . . . . . . . . . . . . 28.3 m120 -139.41 159.71 41.52 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 125.377 1.471 . . . . 10.0 112.305 173.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1916 ' ' GLN . . . . . . . . . . . . . 18.2 tt0 -54.95 -46.15 74.96 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 128.074 2.549 . . . . 10.0 114.536 -174.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1917 ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -89.98 0.6 57.0 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 114.599 1.333 . . . . 10.0 114.599 -167.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1918 ' ' GLY . . . . . . . . . . . . . . . 98.13 36.48 4.67 Favored Glycine 0 CA--C 1.534 1.225 0 N-CA-C 115.589 0.996 . . . . 10.0 115.589 171.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1919 ' ' THR . . . . . . . . . . . . . 47.1 p -100.64 157.29 16.79 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 125.984 1.714 . . . . 10.0 112.276 167.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1920 ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -122.57 20.7 10.28 Favored 'General case' 0 CA--C 1.56 1.342 0 C-N-CA 124.863 1.265 . . . . 10.0 113.7 -176.749 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1921 ' ' SER . . . . . . . . . . . . . 67.4 m -22.19 108.2 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 129.556 3.142 . . . . 10.0 116.109 -171.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1922 ' ' VAL . . . . . 0.426 HG21 HD21 ' A' 1900 ' ' LEU . 93.7 t -82.58 136.56 22.66 Favored 'Isoleucine or valine' 0 C--O 1.245 0.861 0 C-N-CA 126.882 2.073 . . . . 10.0 110.451 -173.595 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1923 ' ' SER . . . . . . . . . . . . . 67.3 m -135.14 127.53 30.4 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 125.749 1.619 . . . . 10.0 111.976 -172.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1924 ' ' TYR . . . . . . . . . . . . . 29.6 p90 -151.22 -178.05 6.41 Favored 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 124.951 1.3 . . . . 10.0 112.002 -177.357 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1925 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -145.67 96.79 4.7 Favored Pre-proline 0 CA--C 1.551 1.005 0 C-N-CA 125.614 1.566 . . . . 10.0 111.645 -174.198 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1926 ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -71.14 121.92 8.27 Favored 'Trans proline' 0 C--O 1.242 0.679 0 C-N-CA 123.64 2.894 . . . . 10.0 110.269 176.074 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1927 ' ' VAL . . . . . . . . . . . . . 25.5 m -106.06 -0.77 9.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 N-CA-C 114.345 1.239 . . . . 10.0 114.345 -171.535 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1928 ' ' LEU . . . . . . . . . . . . . 4.3 tt -153.17 131.62 6.52 Favored Pre-proline 0 N--CA 1.478 0.961 0 C-N-CA 124.723 1.209 . . . . 10.0 110.576 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1929 ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -51.25 133.34 41.83 Favored 'Trans proline' 0 CA--C 1.544 0.999 0 C-N-CA 124.402 3.401 . . . . 10.0 113.279 -178.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1930 ' ' GLY . . . . . . . . . . . . . . . -178.25 -178.11 47.44 Favored Glycine 0 N--CA 1.465 0.606 0 N-CA-C 117.6 1.8 . . . . 10.0 117.6 -171.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1931 ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -105.2 88.51 2.88 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 126.791 2.036 . . . . 10.0 108.673 176.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1932 ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -84.01 93.01 7.98 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.698 1.199 . . . . 10.0 110.835 -173.528 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1933 ' ' SER . . . . . . . . . . . . . 58.8 m -65.56 124.57 22.69 Favored 'General case' 0 C--N 1.328 -0.363 0 O-C-N 121.486 -0.759 . . . . 10.0 112.11 176.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1934 ' ' ILE . . . . . . . . . . . . . 5.1 mm -95.68 126.93 48.1 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.811 0 C-N-CA 124.422 1.089 . . . . 10.0 110.04 176.342 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1935 ' ' LEU . . . . . . . . . . . . . 3.4 mm? -113.16 94.85 5.08 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 126.279 1.831 . . . . 10.0 109.454 -179.435 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1936 ' ' VAL . . . . . . . . . . . . . 15.5 t -107.62 134.64 48.78 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.387 0 C-N-CA 124.509 1.124 . . . . 10.0 111.14 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1937 ' ' LYS . . . . . . . . . . . . . 98.8 mttt -130.49 155.86 45.76 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 125.828 1.651 . . . . 10.0 111.862 176.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1938 ' ' TYR . . . . . . . . . . . . . 26.2 t80 -138.39 105.16 5.36 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 126.765 2.026 . . . . 10.0 110.636 168.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1939 ' ' ASN . . . . . . . . . . . . . 1.1 t30 53.53 79.76 0.12 Allowed 'General case' 0 CA--C 1.562 1.427 0 C-N-CA 126.688 1.995 . . . . 10.0 112.475 -175.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1940 ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 64.1 -4.77 0.36 Allowed 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 128.851 2.86 . . . . 10.0 117.544 173.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1941 ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -128.5 149.92 50.38 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.554 1.541 . . . . 10.0 110.34 -176.324 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1942 ' ' HIS . . . . . . . . . . . . . 88.4 m-70 -70.69 153.13 43.11 Favored 'General case' 0 C--N 1.346 0.423 0 CA-C-O 121.948 0.88 . . . . 10.0 112.864 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1943 ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -72.53 164.63 58.45 Favored Pre-proline 0 CA--C 1.547 0.84 0 C-N-CA 125.349 1.46 . . . . 10.0 112.267 -179.092 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1944 ' ' PRO . . . . . . . . . . . . . 40.1 Cg_exo -53.36 114.02 1.56 Allowed 'Trans proline' 0 CA--C 1.545 1.03 0 C-N-CA 124.641 3.56 . . . . 10.0 112.846 179.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1945 ' ' GLY . . . . . . . . . . . . . . . 87.44 -7.95 78.95 Favored Glycine 0 CA--C 1.549 2.165 0 C-N-CA 125.173 1.368 . . . . 10.0 115.446 177.579 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1946 ' ' SER . . . . . . . . . . . . . 4.1 m -66.2 152.78 93.54 Favored Pre-proline 0 N--CA 1.471 0.604 0 CA-C-N 118.609 1.205 . . . . 10.0 113.172 174.648 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1947 ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -74.48 165.07 86.47 Favored 'Cis proline' 0 C--N 1.355 0.88 0 CA-C-O 122.2 0.833 . . . . 10.0 113.465 -3.307 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1948 ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -114.57 166.5 11.65 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 126.05 1.74 . . . . 10.0 109.862 174.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1949 ' ' THR . . . . . . . . . . . . . 31.6 m -140.01 102.13 4.32 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 125.002 1.321 . . . . 10.0 111.75 -179.302 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1950 ' ' ALA . . . . . . . . . . . . . . . -93.13 111.48 23.13 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.704 1.201 . . . . 10.0 112.478 -173.611 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1951 ' ' ARG . . . . . . . . . . . . . 12.8 ttt180 -88.88 81.04 6.99 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 113.243 0.831 . . . . 10.0 113.243 -178.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1952 ' ' VAL . . . . . 0.517 HG12 HG23 ' A' 1880 ' ' VAL . 2.7 t -56.12 112.65 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.928 0 C-N-CA 129.117 2.967 . . . . 10.0 112.625 171.457 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1953 ' ' THR . . . . . . . . . . . . . 33.3 m -87.72 147.26 25.3 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 125.081 1.352 . . . . 10.0 110.217 177.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1954 ' ' GLY . . . . . . . . . . . . . . . -66.8 172.17 29.34 Favored Glycine 0 C--N 1.346 1.137 0 O-C-N 121.269 -0.894 . . . . 10.0 114.403 173.221 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1955 ' ' ASP . . . . . . . . . . . . . 36.1 t70 -134.18 -71.99 0.49 Allowed 'General case' 0 CA--C 1.559 1.304 0 C-N-CA 124.354 1.062 . . . . 10.0 113.6 -175.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1956 ' ' ASP . . . . . . . . . . . . . 35.2 t70 . . . . . 0 C--O 1.251 1.155 0 C-N-CA 124.723 1.209 . . . . 10.0 113.73 175.296 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A 1868 ' ' VAL . . . . . 0.438 HG11 ' HA ' ' A' 1890 ' ' THR . 10.8 m . . . . . 0 N--CA 1.478 0.958 0 CA-C-O 121.542 0.687 . . . . 10.0 109.964 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1869 ' ' THR . . . . . . . . . . . . . 63.2 p -141.71 169.22 18.01 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 120.221 -1.55 . . . . 10.0 110.511 -172.117 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1870 ' ' ALA . . . . . . . . . . . . . . . -126.17 137.29 53.55 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.875 1.67 . . . . 10.0 109.517 179.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1871 ' ' TYR . . . . . . . . . . . . . 14.5 p90 -156.16 152.18 27.57 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.698 1.199 . . . . 10.0 112.058 -179.081 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1872 ' ' GLY . . . . . . . . . . . . . . . 144.5 175.41 17.62 Favored Glycine 0 N--CA 1.475 1.253 0 O-C-N 120.69 -1.256 . . . . 10.0 112.719 176.094 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1873 ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -64.66 -34.08 52.63 Favored 'Trans proline' 0 CA--C 1.532 0.405 0 C-N-CA 123.82 3.013 . . . . 10.0 113.149 -174.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1874 ' ' GLY . . . . . . . . . . . . . . . -67.12 -7.75 46.01 Favored Glycine 0 CA--C 1.531 1.046 0 C-N-CA 125.724 1.631 . . . . 10.0 116.121 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1875 ' ' LEU . . . . . . . . . . . . . 24.2 mt -95.19 -3.8 47.1 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 118.827 1.314 . . . . 10.0 112.768 169.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1876 ' ' THR . . . . . . . . . . . . . 69.9 m -121.99 -48.72 2.11 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 126.195 1.798 . . . . 10.0 111.432 -170.187 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1877 ' ' HIS . . . . . . . . . . . . . 14.8 p80 -142.92 -179.44 6.36 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 126.417 1.887 . . . . 10.0 111.461 178.098 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1878 ' ' GLY . . . . . . . . . . . . . . . -168.1 176.94 42.49 Favored Glycine 0 N--CA 1.472 1.033 0 C-N-CA 124.636 1.112 . . . . 10.0 114.078 176.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1879 ' ' VAL . . . . . . . . . . . . . 12.6 p -134.82 145.45 32.36 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.799 0 C-N-CA 125.453 1.501 . . . . 10.0 110.508 171.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1880 ' ' VAL . . . . . . . . . . . . . 65.6 t -85.55 146.76 6.11 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 C-N-CA 125.296 1.439 . . . . 10.0 113.522 -171.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1881 ' ' ASN . . . . . . . . . . . . . 77.0 m-20 54.58 18.05 1.88 Allowed 'General case' 0 CA--C 1.557 1.246 0 C-N-CA 127.727 2.411 . . . . 10.0 114.654 -177.348 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1882 ' ' LYS . . . . . 0.433 ' HA ' ' HD3' ' A' 1883 ' ' PRO . 37.3 tptt -137.54 145.21 48.16 Favored Pre-proline 0 N--CA 1.475 0.82 0 C-N-CA 127.517 2.327 . . . . 10.0 110.359 171.527 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1883 ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' 1882 ' ' LYS . 51.2 Cg_exo -58.31 141.76 97.08 Favored 'Trans proline' 0 N--CA 1.459 -0.529 0 C-N-CA 124.66 3.573 . . . . 10.0 114.229 -175.134 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1884 ' ' ALA . . . . . . . . . . . . . . . -128.61 156.17 43.81 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 125.836 1.654 . . . . 10.0 110.976 172.141 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1885 ' ' THR . . . . . . . . . . . . . 28.3 p -151.71 162.91 40.22 Favored 'General case' 0 N--CA 1.469 0.525 0 N-CA-C 114.56 1.319 . . . . 10.0 114.56 -169.211 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1886 ' ' PHE . . . . . . . . . . . . . 43.7 p90 -148.57 178.77 8.34 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.26 1.424 . . . . 10.0 110.514 168.382 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1887 ' ' THR . . . . . . . . . . . . . 92.5 m -125.59 137.29 53.9 Favored 'General case' 0 N--CA 1.463 0.223 0 C-N-CA 124.605 1.162 . . . . 10.0 111.402 -173.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1888 ' ' VAL . . . . . 0.458 ' CG2' ' HB3' ' A' 1920 ' ' CYS . 5.9 m -125.41 146.33 31.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 C-N-CA 125.351 1.46 . . . . 10.0 107.875 165.603 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1889 ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -126.77 88.56 2.84 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 125.198 1.399 . . . . 10.0 108.245 -177.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1890 ' ' THR . . . . . 0.438 ' HA ' HG11 ' A' 1868 ' ' VAL . 44.8 p -104.69 74.19 1.13 Allowed 'General case' 0 C--O 1.241 0.649 0 N-CA-C 113.811 1.041 . . . . 10.0 113.811 -166.693 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1891 ' ' LYS . . . . . . . . . . . . . 51.1 mtpt -107.49 -72.25 0.73 Allowed 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 125.158 1.383 . . . . 10.0 112.288 -175.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 19.8 t70 -64.72 -19.82 65.98 Favored 'General case' 0 N--CA 1.485 1.29 0 N-CA-C 116.059 1.874 . . . . 10.0 116.059 -169.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1893 ' ' ALA . . . . . . . . . . . . . . . -65.41 -8.14 17.4 Favored 'General case' 0 CA--C 1.555 1.148 0 N-CA-C 114.652 1.353 . . . . 10.0 114.652 169.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.45 0 C-N-CA 124.95 1.262 . . . . 10.0 112.823 178.726 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A 1898 ' ' LEU . . . . . 0.406 ' HB3' ' CE2' ' A' 1938 ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.472 0.632 0 N-CA-C 114.408 1.262 . . . . 10.0 114.408 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1899 ' ' SER . . . . . . . . . . . . . 20.3 t -158.16 155.74 29.63 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.633 1.573 . . . . 10.0 110.574 173.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1900 ' ' LEU . . . . . . . . . . . . . 4.1 pp -146.9 170.59 16.75 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 114.257 1.206 . . . . 10.0 114.257 173.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1901 ' ' ALA . . . . . . . . . . . . . . . -149.15 166.49 28.65 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.577 1.551 . . . . 10.0 111.994 170.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1902 ' ' ILE . . . . . . . . . . . . . 1.5 mp -120.09 131.42 72.5 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 124.087 0.955 . . . . 10.0 109.617 174.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1903 ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -110.49 173.64 6.23 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 127.448 2.299 . . . . 10.0 110.327 170.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1904 ' ' GLY . . . . . . . . . . . . . . . 157.28 -167.08 33.86 Favored Glycine 0 N--CA 1.481 1.641 0 C-N-CA 124.78 1.181 . . . . 10.0 112.889 -175.059 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1905 ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -72.16 -17.56 27.84 Favored 'Trans proline' 0 CA--C 1.537 0.657 0 C-N-CA 122.685 2.257 . . . . 10.0 112.396 172.015 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1906 ' ' SER . . . . . . . . . . . . . 19.1 t -146.96 179.07 7.86 Favored 'General case' 0 C--O 1.245 0.859 0 C-N-CA 129.699 3.2 . . . . 10.0 107.73 -167.165 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1907 ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -122.65 166.19 15.29 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.263 1.025 . . . . 10.0 113.262 -173.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1908 ' ' ALA . . . . . . . . . . . . . . . -146.94 -179.27 6.69 Favored 'General case' 0 CA--C 1.56 1.333 0 C-N-CA 127.156 2.182 . . . . 10.0 110.754 178.304 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1909 ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -123.8 122.12 37.22 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.683 1.193 . . . . 10.0 110.91 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1910 ' ' ILE . . . . . . . . . . . . . 1.6 mp -71.02 120.91 19.83 Favored 'Isoleucine or valine' 0 C--O 1.24 0.589 0 C-N-CA 125.814 1.646 . . . . 10.0 110.279 -178.109 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1911 ' ' SER . . . . . . . . . . . . . 58.1 m -129.16 88.06 2.65 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.799 1.24 . . . . 10.0 111.419 179.038 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1912 ' ' CYS . . . . . . . . . . . . . 25.0 p -63.71 155.13 30.98 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.748 1.619 . . . . 10.0 114.338 174.056 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1913 ' ' THR . . . . . . . . . . . . . 4.2 m -131.79 84.53 2.17 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 125.012 1.325 . . . . 10.0 110.564 178.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1914 ' ' ASP . . . . . . . . . . . . . 21.9 t70 -72.7 98.36 2.36 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 126.549 1.94 . . . . 10.0 111.506 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1915 ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -105.19 159.24 16.02 Favored 'General case' 0 C--O 1.242 0.686 0 C-N-CA 124.734 1.213 . . . . 10.0 110.663 178.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1916 ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -64.01 -16.72 62.28 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 125.506 1.522 . . . . 10.0 114.667 -174.092 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1917 ' ' ASP . . . . . . . . . . . . . 33.6 t70 -79.59 -13.91 59.19 Favored 'General case' 0 CA--C 1.555 1.159 0 C-N-CA 125.606 1.562 . . . . 10.0 112.603 178.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1918 ' ' GLY . . . . . . . . . . . . . . . 109.4 8.67 26.61 Favored Glycine 0 CA--C 1.535 1.311 0 C-N-CA 125.197 1.379 . . . . 10.0 114.608 174.389 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1919 ' ' THR . . . . . . . . . . . . . 68.4 p -83.66 152.53 24.72 Favored 'General case' 0 N--CA 1.478 0.931 0 O-C-N 120.754 -1.439 . . . . 10.0 112.493 176.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1920 ' ' CYS . . . . . 0.458 ' HB3' ' CG2' ' A' 1888 ' ' VAL . 0.5 OUTLIER -112.85 -4.79 13.92 Favored 'General case' 0 CA--C 1.556 1.184 0 N-CA-C 114.433 1.271 . . . . 10.0 114.433 172.418 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A 1921 ' ' SER . . . . . . . . . . . . . 74.7 m 13.63 86.2 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 131.269 3.828 . . . . 10.0 116.511 172.268 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1922 ' ' VAL . . . . . . . . . . . . . 55.3 t -80.87 121.84 35.05 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 C-N-CA 124.889 1.276 . . . . 10.0 112.245 -178.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1923 ' ' SER . . . . . . . . . . . . . 39.3 m -95.99 154.07 17.43 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 126.22 1.808 . . . . 10.0 109.279 168.188 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1924 ' ' TYR . . . . . . . . . . . . . 11.8 p90 -149.17 175.43 11.38 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 127.426 2.291 . . . . 10.0 109.999 171.677 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1925 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -152.45 85.08 4.59 Favored Pre-proline 0 CA--C 1.556 1.178 0 O-C-N 119.837 -1.789 . . . . 10.0 110.868 -170.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1926 ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -71.68 121.82 8.01 Favored 'Trans proline' 0 CA--C 1.539 0.77 0 C-N-CA 124.039 3.159 . . . . 10.0 111.723 -170.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1927 ' ' VAL . . . . . . . . . . . . . 27.5 m -78.39 -17.73 13.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 N-CA-C 114.406 1.261 . . . . 10.0 114.406 -178.257 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1928 ' ' LEU . . . . . . . . . . . . . 17.7 mt -138.95 160.33 63.27 Favored Pre-proline 0 CA--C 1.551 0.985 0 C-N-CA 127.093 2.157 . . . . 10.0 111.352 171.386 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1929 ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -72.01 164.16 36.52 Favored 'Trans proline' 0 CA--C 1.534 0.501 0 C-N-CA 123.893 3.062 . . . . 10.0 111.608 176.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1930 ' ' GLY . . . . . . . . . . . . . . . 159.35 179.11 33.94 Favored Glycine 0 C--N 1.346 1.093 0 N-CA-C 115.713 1.045 . . . . 10.0 115.713 173.113 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1931 ' ' ASP . . . . . . . . . . . . . 15.4 p-10 -88.48 74.34 8.56 Favored 'General case' 0 C--O 1.242 0.679 0 C-N-CA 126.679 1.992 . . . . 10.0 109.937 169.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1932 ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -67.27 153.98 42.38 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 121.593 -0.692 . . . . 10.0 111.156 172.223 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1933 ' ' SER . . . . . . . . . . . . . 23.2 t -130.58 130.68 44.35 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 125.689 1.596 . . . . 10.0 109.872 -177.104 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1934 ' ' ILE . . . . . . . . . . . . . 5.7 mm -102.55 108.97 25.27 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 C-N-CA 124.627 1.171 . . . . 10.0 110.197 -174.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1935 ' ' LEU . . . . . . . . . . . . . 3.8 mm? -96.3 99.57 11.26 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 126.03 1.732 . . . . 10.0 110.46 -178.482 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1936 ' ' VAL . . . . . . . . . . . . . 21.0 t -111.82 134.69 53.46 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.376 0 C-N-CA 124.212 1.005 . . . . 10.0 110.884 -175.115 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1937 ' ' LYS . . . . . . . . . . . . . 94.0 mttt -128.63 154.74 45.94 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 126.303 1.841 . . . . 10.0 113.974 176.092 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1938 ' ' TYR . . . . . 0.406 ' CE2' ' HB3' ' A' 1898 ' ' LEU . 1.0 OUTLIER -135.9 125.3 24.92 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.485 1.514 . . . . 10.0 107.624 168.113 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A 1939 ' ' ASN . . . . . . . . . . . . . 52.7 t30 41.41 59.14 2.47 Favored 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 127.266 2.227 . . . . 10.0 113.817 -171.094 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1940 ' ' GLU . . . . . . . . . . . . . 7.0 tp10 66.51 -3.66 0.83 Allowed 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 128.258 2.623 . . . . 10.0 116.327 177.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1941 ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -110.42 141.28 43.72 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 125.031 1.332 . . . . 10.0 111.75 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1942 ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -67.06 150.75 48.77 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-N 119.772 1.169 . . . . 10.0 113.843 -176.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1943 ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -72.62 166.08 45.72 Favored Pre-proline 0 N--CA 1.477 0.908 0 C-N-CA 125.57 1.548 . . . . 10.0 113.55 -175.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1944 ' ' PRO . . . . . . . . . . . . . 44.5 Cg_exo -58.63 109.46 0.52 Allowed 'Trans proline' 0 CA--C 1.549 1.24 0 C-N-CA 125.206 3.938 . . . . 10.0 113.052 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1945 ' ' GLY . . . . . . . . . . . . . . . 86.56 2.14 85.09 Favored Glycine 0 CA--C 1.544 1.874 0 N-CA-C 115.814 1.086 . . . . 10.0 115.814 -178.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1946 ' ' SER . . . . . . . . . . . . . 2.8 m -67.04 153.54 94.34 Favored Pre-proline 0 N--CA 1.478 0.958 0 CA-C-N 119.636 1.718 . . . . 10.0 112.82 174.411 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1947 ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -75.17 161.51 94.59 Favored 'Cis proline' 0 C--N 1.362 1.247 0 N-CA-C 113.721 0.624 . . . . 10.0 113.721 -10.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1948 ' ' PHE . . . . . . . . . . . . . 78.9 m-85 -100.01 169.1 9.42 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 125.626 1.57 . . . . 10.0 111.87 172.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1949 ' ' THR . . . . . . . . . . . . . 29.9 m -141.41 111.02 6.46 Favored 'General case' 0 N--CA 1.488 1.455 0 CA-C-N 119.83 1.196 . . . . 10.0 112.406 -173.156 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1950 ' ' ALA . . . . . . . . . . . . . . . -106.92 129.81 54.68 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.325 1.45 . . . . 10.0 111.781 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1951 ' ' ARG . . . . . . . . . . . . . 29.1 ptt180 -98.49 22.46 9.78 Favored 'General case' 0 N--CA 1.493 1.706 0 N-CA-C 116.504 2.039 . . . . 10.0 116.504 -168.41 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1952 ' ' VAL . . . . . . . . . . . . . 17.3 t -8.43 104.07 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 131.458 3.903 . . . . 10.0 114.767 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1953 ' ' THR . . . . . . . . . . . . . 25.6 m -82.74 132.28 35.18 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.276 1.431 . . . . 10.0 111.971 -178.031 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1954 ' ' GLY . . . . . . . . . . . . . . . -88.71 160.21 29.92 Favored Glycine 0 N--CA 1.467 0.756 0 C-N-CA 124.491 1.043 . . . . 10.0 112.55 177.17 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1955 ' ' ASP . . . . . . . . . . . . . 32.5 t70 -144.27 -46.3 0.26 Allowed 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 124.302 1.041 . . . . 10.0 113.517 179.107 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1956 ' ' ASP . . . . . . . . . . . . . 34.4 t70 . . . . . 0 C--O 1.257 1.496 0 C-N-CA 125.208 1.403 . . . . 10.0 114.19 175.081 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A 1868 ' ' VAL . . . . . . . . . . . . . 8.6 p . . . . . 0 N--CA 1.474 0.734 0 N-CA-C 111.628 0.232 . . . . 10.0 111.628 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A 1869 ' ' THR . . . . . . . . . . . . . 82.8 p -134.59 175.23 9.72 Favored 'General case' 0 N--CA 1.488 1.47 0 C-N-CA 124.594 1.158 . . . . 10.0 110.088 173.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1870 ' ' ALA . . . . . . . . . . . . . . . -137.52 120.52 16.58 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.334 1.054 . . . . 10.0 109.353 169.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1871 ' ' TYR . . . . . . . . . . . . . 53.4 p90 -147.11 160.11 42.81 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 125.022 1.329 . . . . 10.0 112.672 -177.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1872 ' ' GLY . . . . . . . . . . . . . . . 137.28 176.79 14.6 Favored Glycine 0 CA--C 1.538 1.481 0 C-N-CA 124.596 1.093 . . . . 10.0 114.08 -178.18 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1873 ' ' PRO . . . . . . . . . . . . . 76.8 Cg_endo -68.13 -30.6 31.3 Favored 'Trans proline' 0 N--CA 1.451 -1.005 0 C-N-CA 123.235 2.624 . . . . 10.0 113.408 179.105 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1874 ' ' GLY . . . . . . . . . . . . . . . -65.45 -9.49 43.9 Favored Glycine 0 CA--C 1.54 1.631 0 N-CA-C 115.929 1.131 . . . . 10.0 115.929 -177.145 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1875 ' ' LEU . . . . . . . . . . . . . 43.4 mt -94.09 -8.28 40.11 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-N 119.56 1.68 . . . . 10.0 113.947 171.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1876 ' ' THR . . . . . . . . . . . . . 35.7 m -120.04 -37.53 3.07 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 125.491 1.516 . . . . 10.0 111.636 -174.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1877 ' ' HIS . . . . . . . . . . . . . 57.3 m80 -128.77 173.44 10.34 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 127.979 2.512 . . . . 10.0 111.036 174.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1878 ' ' GLY . . . . . . . . . . . . . . . -152.56 168.65 31.63 Favored Glycine 0 N--CA 1.472 1.055 0 C-N-CA 126.308 1.908 . . . . 10.0 112.32 174.34 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1879 ' ' VAL . . . . . . . . . . . . . 3.4 t -131.48 115.55 28.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 CA-C-N 118.515 1.158 . . . . 10.0 110.634 178.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1880 ' ' VAL . . . . . 0.429 HG23 HG12 ' A' 1952 ' ' VAL . 76.5 t -63.09 126.92 22.41 Favored 'Isoleucine or valine' 0 C--O 1.236 0.367 0 C-N-CA 124.79 1.236 . . . . 10.0 110.817 -177.749 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1881 ' ' ASN . . . . . . . . . . . . . 75.1 m-20 55.45 22.57 5.14 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 128.002 2.521 . . . . 10.0 114.871 -176.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1882 ' ' LYS . . . . . 0.412 ' HA ' ' HD3' ' A' 1883 ' ' PRO . 0.0 OUTLIER -131.62 128.28 21.74 Favored Pre-proline 0 N--CA 1.486 1.333 0 C-N-CA 125.164 1.385 . . . . 10.0 110.665 169.021 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A 1883 ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' 1882 ' ' LYS . 35.7 Cg_exo -56.46 118.89 5.78 Favored 'Trans proline' 0 C--N 1.357 1.008 0 C-N-CA 123.241 2.627 . . . . 10.0 111.072 -172.172 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1884 ' ' ALA . . . . . . . . . . . . . . . -102.44 156.99 17.23 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.541 1.536 . . . . 10.0 111.286 177.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1885 ' ' THR . . . . . . . . . . . . . 71.3 p -147.95 162.07 40.05 Favored 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 114.513 1.301 . . . . 10.0 114.513 -169.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1886 ' ' PHE . . . . . . . . . . . . . 53.2 p90 -152.37 157.07 40.77 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 127.262 2.225 . . . . 10.0 110.809 167.372 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1887 ' ' THR . . . . . . . . . . . . . 47.1 m -92.94 138.02 31.85 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.705 1.602 . . . . 10.0 110.753 -177.036 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1888 ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -135.65 61.36 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 C-N-CA 128.933 2.893 . . . . 10.0 108.805 -177.531 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1889 ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -62.74 88.99 0.03 OUTLIER 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 130.012 3.325 . . . . 10.0 111.678 -176.141 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 5.6 p -70.56 54.16 0.15 Allowed 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 130.665 3.586 . . . . 10.0 112.584 170.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1891 ' ' LYS . . . . . . . . . . . . . 1.8 ptmt -48.51 -57.79 5.63 Favored 'General case' 0 N--CA 1.485 1.308 0 N-CA-C 116.951 2.204 . . . . 10.0 116.951 -178.473 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 33.7 t70 -129.47 11.21 5.79 Favored 'General case' 0 CA--C 1.562 1.433 0 C-N-CA 126.336 1.854 . . . . 10.0 111.63 175.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1893 ' ' ALA . . . . . . . . . . . . . . . -58.08 -49.74 75.89 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 128.349 2.659 . . . . 10.0 114.593 -170.216 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.393 0 C-N-CA 125.125 1.345 . . . . 10.0 111.847 -171.945 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A 1898 ' ' LEU . . . . . . . . . . . . . 2.5 tm? . . . . . 0 CA--C 1.54 0.559 0 CA-C-O 121.112 0.482 . . . . 10.0 111.196 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A 1899 ' ' SER . . . . . . . . . . . . . 19.5 t -131.26 144.02 50.99 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 126.543 1.937 . . . . 10.0 110.576 -178.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1900 ' ' LEU . . . . . . . . . . . . . 82.0 mt -129.64 155.32 46.05 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 125.565 1.546 . . . . 10.0 113.286 -172.208 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1901 ' ' ALA . . . . . . . . . . . . . . . -144.23 111.6 5.97 Favored 'General case' 0 N--CA 1.444 -0.761 0 C-N-CA 125.98 1.712 . . . . 10.0 108.608 166.457 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1902 ' ' ILE . . . . . . . . . . . . . 1.9 mp -97.17 137.03 25.95 Favored 'Isoleucine or valine' 0 C--O 1.243 0.721 0 O-C-N 121.073 -1.017 . . . . 10.0 109.277 173.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1903 ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 -126.61 173.66 9.28 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 126.53 1.932 . . . . 10.0 111.115 176.293 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1904 ' ' GLY . . . . . . . . . . . . . . . 156.88 -164.95 32.96 Favored Glycine 0 N--CA 1.479 1.52 0 C-N-CA 123.818 0.723 . . . . 10.0 112.02 -176.233 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1905 ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -71.05 -18.21 31.16 Favored 'Trans proline' 0 CA--C 1.545 1.058 0 C-N-CA 122.704 2.27 . . . . 10.0 112.081 169.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1906 ' ' SER . . . . . . . . . . . . . 17.6 t -147.53 -174.9 4.66 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 128.279 2.632 . . . . 10.0 109.128 -168.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1907 ' ' LYS . . . . . . . . . . . . . 98.7 mttt -123.3 165.42 17.0 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 124.973 1.309 . . . . 10.0 113.718 -168.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1908 ' ' ALA . . . . . . . . . . . . . . . -139.62 137.57 35.41 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.157 1.383 . . . . 10.0 113.094 178.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1909 ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -63.25 153.91 33.17 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 123.617 0.767 . . . . 10.0 110.605 167.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1910 ' ' ILE . . . . . . . . . . . . . 25.3 mm -125.07 126.84 71.75 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.732 0 C-N-CA 125.256 1.422 . . . . 10.0 110.481 -177.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1911 ' ' SER . . . . . . . . . . . . . 56.4 m -135.43 157.23 47.41 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 127.621 2.368 . . . . 10.0 110.898 172.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1912 ' ' CYS . . . . . . . . . . . . . 26.3 p -157.05 166.51 33.12 Favored 'General case' 0 C--N 1.349 0.55 0 C-N-CA 125.374 1.469 . . . . 10.0 112.669 179.006 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1913 ' ' THR . . . . . . . . . . . . . 85.0 m -103.64 94.32 5.39 Favored 'General case' 0 N--CA 1.476 0.843 0 O-C-N 120.66 -1.275 . . . . 10.0 109.372 171.001 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1914 ' ' ASP . . . . . . . . . . . . . 30.8 t70 -59.11 -29.1 67.12 Favored 'General case' 0 C--O 1.246 0.871 0 C-N-CA 125.646 1.579 . . . . 10.0 113.641 -174.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1915 ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -65.68 108.78 2.19 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 125.613 1.565 . . . . 10.0 110.509 171.027 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1916 ' ' GLN . . . . . . . . . . . . . 10.7 tm0? -68.1 70.8 0.16 Allowed 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 126.443 1.897 . . . . 10.0 112.09 174.179 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1917 ' ' ASP . . . . . . . . . . . . . 33.5 t70 -86.28 5.31 35.08 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 127.483 2.313 . . . . 10.0 112.705 176.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1918 ' ' GLY . . . . . . . . . . . . . . . 133.09 -18.57 4.46 Favored Glycine 0 CA--C 1.533 1.182 0 C-N-CA 127.596 2.522 . . . . 10.0 113.642 -176.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1919 ' ' THR . . . . . . . . . . . . . 2.4 t -156.51 152.43 27.34 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.172 1.389 . . . . 10.0 111.436 175.337 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1920 ' ' CYS . . . . . . . . . . . . . 7.3 t -81.11 0.4 36.33 Favored 'General case' 0 CA--C 1.558 1.27 0 C-N-CA 125.358 1.463 . . . . 10.0 114.024 174.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1921 ' ' SER . . . . . . . . . . . . . 5.7 t 28.06 75.04 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 131.149 3.779 . . . . 10.0 115.188 175.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1922 ' ' VAL . . . . . . . . . . . . . 24.8 t -71.52 133.95 30.87 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.205 0 C-N-CA 125.026 1.33 . . . . 10.0 111.496 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1923 ' ' SER . . . . . . . . . . . . . 67.8 m -126.01 139.3 53.53 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 127.031 2.132 . . . . 10.0 109.938 168.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1924 ' ' TYR . . . . . . . . . . . . . 24.5 p90 -140.32 162.24 35.77 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 124.469 1.108 . . . . 10.0 111.034 176.257 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1925 ' ' LEU . . . . . . . . . . . . . 2.0 tm? -143.57 94.4 6.1 Favored Pre-proline 0 CA--C 1.542 0.635 0 CA-C-O 118.39 -0.814 . . . . 10.0 109.966 -172.587 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1926 ' ' PRO . . . . . . . . . . . . . 50.7 Cg_endo -75.21 155.72 42.01 Favored 'Trans proline' 0 CA--C 1.54 0.801 0 C-N-CA 123.54 2.827 . . . . 10.0 110.702 175.101 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1927 ' ' VAL . . . . . . . . . . . . . 29.2 m -111.7 -16.06 9.53 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 N-CA-C 115.869 1.803 . . . . 10.0 115.869 -175.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1928 ' ' LEU . . . . . . . . . . . . . 18.9 mt -143.35 159.1 56.37 Favored Pre-proline 0 CA--C 1.543 0.674 0 C-N-CA 126.34 1.856 . . . . 10.0 112.296 170.312 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1929 ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -74.52 164.03 34.79 Favored 'Trans proline' 0 CA--C 1.536 0.579 0 C-N-CA 123.672 2.915 . . . . 10.0 112.128 -177.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1930 ' ' GLY . . . . . . . . . . . . . . . 153.31 -179.85 29.36 Favored Glycine 0 CA--C 1.54 1.598 0 N-CA-C 117.098 1.599 . . . . 10.0 117.098 177.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1931 ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -85.23 88.58 7.5 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.395 1.478 . . . . 10.0 109.288 169.106 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1932 ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -82.49 161.65 22.31 Favored 'General case' 0 C--O 1.222 -0.378 0 O-C-N 121.463 -0.773 . . . . 10.0 110.51 173.131 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1933 ' ' SER . . . . . . . . . . . . . 70.4 m -124.31 146.91 48.51 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 125.313 1.445 . . . . 10.0 110.794 174.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1934 ' ' ILE . . . . . . . . . . . . . 3.8 mm -119.11 109.77 27.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 C-N-CA 125.602 1.561 . . . . 10.0 109.389 -178.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1935 ' ' LEU . . . . . . . . . . . . . 2.0 mm? -98.19 110.02 22.67 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 126.148 1.779 . . . . 10.0 108.081 170.272 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1936 ' ' VAL . . . . . . . . . . . . . 22.7 t -108.16 133.59 52.61 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 C-N-CA 126.013 1.725 . . . . 10.0 110.49 177.46 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1937 ' ' LYS . . . . . . . . . . . . . 99.0 mttt -132.11 154.57 49.34 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 125.048 1.339 . . . . 10.0 111.426 170.422 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1938 ' ' TYR . . . . . . . . . . . . . 45.3 t80 -125.08 -27.23 3.57 Favored 'General case' 0 N--CA 1.486 1.327 0 N-CA-C 117.252 2.316 . . . . 10.0 117.252 174.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1939 ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -143.19 50.97 1.39 Allowed 'General case' 0 CA--C 1.558 1.261 0 C-N-CA 126.161 1.785 . . . . 10.0 111.309 -173.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1940 ' ' GLU . . . . . . . . . . . . . 5.8 tp10 58.64 10.56 1.46 Allowed 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 127.084 2.154 . . . . 10.0 113.462 -168.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1941 ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -137.72 147.12 44.5 Favored 'General case' 0 C--O 1.239 0.532 0 C-N-CA 127.611 2.364 . . . . 10.0 110.379 -170.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1942 ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -69.87 147.38 50.38 Favored 'General case' 0 C--O 1.241 0.652 0 N-CA-C 114.229 1.196 . . . . 10.0 114.229 -173.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1943 ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -69.19 164.83 44.82 Favored Pre-proline 0 C--O 1.242 0.701 0 C-N-CA 126.296 1.838 . . . . 10.0 113.276 175.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1944 ' ' PRO . . . . . . . . . . . . . 49.4 Cg_exo -59.94 115.32 2.54 Favored 'Trans proline' 0 CA--C 1.544 0.993 0 C-N-CA 124.792 3.662 . . . . 10.0 111.583 -176.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1945 ' ' GLY . . . . . . . . . . . . . . . 88.82 -6.01 84.06 Favored Glycine 0 N--CA 1.474 1.221 0 C-N-CA 126.087 1.803 . . . . 10.0 116.529 177.147 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1946 ' ' SER . . . . . . . . . . . . . 15.6 m -63.43 156.87 68.21 Favored Pre-proline 0 CA--C 1.551 0.989 0 CA-C-N 119.652 1.726 . . . . 10.0 114.854 172.076 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1947 ' ' PRO . . . . . . . . . . . . . 80.7 Cg_endo -76.0 172.26 63.99 Favored 'Cis proline' 0 CA--C 1.552 1.402 0 N-CA-C 114.343 0.863 . . . . 10.0 114.343 -7.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1948 ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -125.1 166.14 16.94 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 127.015 2.126 . . . . 10.0 111.347 178.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1949 ' ' THR . . . . . . . . . . . . . 28.5 m -134.48 101.84 5.11 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 125.354 1.461 . . . . 10.0 109.91 -179.378 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1950 ' ' ALA . . . . . . . . . . . . . . . -90.06 127.72 36.13 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.441 1.496 . . . . 10.0 111.656 -176.339 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1951 ' ' ARG . . . . . . . . . . . . . 40.2 ttm-85 -93.47 87.4 5.55 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 125.243 1.417 . . . . 10.0 113.054 173.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1952 ' ' VAL . . . . . 0.429 HG12 HG23 ' A' 1880 ' ' VAL . 2.4 t -63.98 115.32 2.6 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 C-N-CA 129.617 3.167 . . . . 10.0 112.115 171.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1953 ' ' THR . . . . . . . . . . . . . 6.2 t -102.26 146.5 27.91 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 124.869 1.268 . . . . 10.0 112.709 -179.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1954 ' ' GLY . . . . . . . . . . . . . . . -69.07 168.8 44.11 Favored Glycine 0 CA--C 1.534 1.247 0 N-CA-C 114.678 0.631 . . . . 10.0 114.678 -175.174 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1955 ' ' ASP . . . . . . . . . . . . . 38.8 t70 -154.83 -46.98 0.09 Allowed 'General case' 0 CA--C 1.555 1.139 0 C-N-CA 125.316 1.446 . . . . 10.0 112.11 174.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1956 ' ' ASP . . . . . . . . . . . . . 34.0 t70 . . . . . 0 N--CA 1.492 1.651 0 C-N-CA 125.503 1.521 . . . . 10.0 113.185 -179.095 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A 1868 ' ' VAL . . . . . . . . . . . . . 14.7 p . . . . . 0 CA--C 1.543 0.679 0 CA-C-O 121.542 0.687 . . . . 10.0 112.043 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A 1869 ' ' THR . . . . . . . . . . . . . 26.9 p -144.88 159.38 43.0 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 126.631 1.972 . . . . 10.0 112.889 -173.174 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1870 ' ' ALA . . . . . . . . . . . . . . . -120.15 143.43 48.21 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 128.756 2.822 . . . . 10.0 112.96 173.7 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1871 ' ' TYR . . . . . . . . . . . . . 15.7 p90 -156.79 163.91 38.69 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.458 1.503 . . . . 10.0 113.257 175.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1872 ' ' GLY . . . . . . . . . . . . . . . 124.59 166.71 12.49 Favored Glycine 0 CA--C 1.538 1.477 0 C-N-CA 126.262 1.887 . . . . 10.0 113.782 176.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1873 ' ' PRO . . . . . . . . . . . . . 25.4 Cg_exo -59.53 -37.82 86.58 Favored 'Trans proline' 0 CA--C 1.54 0.812 0 C-N-CA 123.768 2.979 . . . . 10.0 113.898 179.16 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1874 ' ' GLY . . . . . . . . . . . . . . . -57.66 -24.38 52.87 Favored Glycine 0 CA--C 1.531 1.048 0 C-N-CA 126.553 2.025 . . . . 10.0 116.066 -173.307 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1875 ' ' LEU . . . . . . . . . . . . . 24.6 mt -77.66 -12.49 59.97 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.131 1.372 . . . . 10.0 113.853 176.061 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1876 ' ' THR . . . . . . . . . . . . . 89.6 m -124.92 -39.28 2.27 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 126.018 1.727 . . . . 10.0 112.013 -171.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1877 ' ' HIS . . . . . . . . . . . . . 52.0 m-70 -132.53 172.49 12.43 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.787 1.635 . . . . 10.0 112.374 174.581 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1878 ' ' GLY . . . . . . . . . . . . . . . -155.11 176.1 32.88 Favored Glycine 0 CA--C 1.544 1.873 0 C-N-CA 124.009 0.814 . . . . 10.0 113.25 178.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1879 ' ' VAL . . . . . . . . . . . . . 17.7 t -132.96 112.06 17.71 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 C-N-CA 125.369 1.468 . . . . 10.0 109.603 175.321 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1880 ' ' VAL . . . . . . . . . . . . . 58.7 t -58.71 137.93 20.44 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.617 0 C-N-CA 123.108 0.563 . . . . 10.0 111.105 177.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1881 ' ' ASN . . . . . . . . . . . . . 4.7 m-80 61.31 7.79 1.85 Allowed 'General case' 0 CA--C 1.554 1.125 0 C-N-CA 126.728 2.011 . . . . 10.0 116.125 -176.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1882 ' ' LYS . . . . . 0.452 ' HA ' ' HD3' ' A' 1883 ' ' PRO . 43.6 tptt -121.22 144.08 38.86 Favored Pre-proline 0 N--CA 1.478 0.95 0 CA-C-N 119.72 1.145 . . . . 10.0 110.846 171.227 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1883 ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' A' 1882 ' ' LYS . 51.8 Cg_exo -61.71 116.38 3.4 Favored 'Trans proline' 0 CA--C 1.542 0.898 0 C-N-CA 123.316 2.678 . . . . 10.0 112.975 -171.469 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1884 ' ' ALA . . . . . . . . . . . . . . . -86.36 148.14 25.72 Favored 'General case' 0 CA--C 1.559 1.311 0 C-N-CA 123.966 0.906 . . . . 10.0 111.737 171.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1885 ' ' THR . . . . . . . . . . . . . 72.1 p -147.01 166.2 27.56 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.835 0.854 . . . . 10.0 112.104 178.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1886 ' ' PHE . . . . . . . . . . . . . 10.4 p90 -148.36 172.51 14.29 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 126.572 1.949 . . . . 10.0 110.289 168.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1887 ' ' THR . . . . . . . . . . . . . 47.2 m -126.79 136.76 52.83 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-O 123.122 1.439 . . . . 10.0 110.468 172.038 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1888 ' ' VAL . . . . . . . . . . . . . 2.0 t -146.42 123.95 3.99 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.094 0 C-N-CA 129.11 2.964 . . . . 10.0 105.189 -167.063 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1889 ' ' ASN . . . . . . . . . . . . . 15.1 t-20 -130.39 119.48 22.78 Favored 'General case' 0 C--O 1.245 0.854 0 O-C-N 123.926 0.766 . . . . 10.0 110.603 -168.013 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 24.4 p -84.77 60.38 6.12 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 126.318 1.847 . . . . 10.0 114.141 -169.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1891 ' ' LYS . . . . . . . . . . . . . 56.3 mttm -63.65 126.67 28.32 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 125.184 1.394 . . . . 10.0 111.361 176.319 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 21.8 t70 59.32 11.4 2.16 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 126.222 1.809 . . . . 10.0 115.816 179.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1893 ' ' ALA . . . . . . . . . . . . . . . -69.79 -12.95 62.02 Favored 'General case' 0 CA--C 1.554 1.132 0 C-N-CA 125.173 1.389 . . . . 10.0 114.23 -179.043 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.278 0 C-N-CA 127.24 2.352 . . . . 10.0 113.889 179.99 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A 1898 ' ' LEU . . . . . . . . . . . . . 8.1 tt . . . . . 0 C--O 1.237 0.401 0 CA-C-O 120.896 0.379 . . . . 10.0 111.528 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A 1899 ' ' SER . . . . . . . . . . . . . 8.2 t -127.96 165.81 19.54 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.929 1.692 . . . . 10.0 110.26 169.138 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1900 ' ' LEU . . . . . 0.42 HD21 HG21 ' A' 1922 ' ' VAL . 1.0 OUTLIER -154.99 173.46 16.54 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 113.975 1.102 . . . . 10.0 113.975 172.338 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A 1901 ' ' ALA . . . . . . . . . . . . . . . -145.66 169.32 18.7 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.312 1.445 . . . . 10.0 111.482 168.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1902 ' ' ILE . . . . . . . . . . . . . 2.0 mp -125.52 129.38 72.84 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 126.511 1.924 . . . . 10.0 108.574 170.239 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1903 ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -127.97 177.09 7.11 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 126.489 1.916 . . . . 10.0 110.669 176.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1904 ' ' GLY . . . . . . . . . . . . . . . 154.61 -129.63 2.64 Favored Glycine 0 CA--C 1.53 0.983 0 C-N-CA 125.994 1.759 . . . . 10.0 111.257 174.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1905 ' ' PRO . . . . . . . . . . . . . 26.3 Cg_endo -76.27 -12.57 19.07 Favored 'Trans proline' 0 CA--C 1.544 1.02 0 C-N-CA 123.623 2.882 . . . . 10.0 112.993 170.138 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1906 ' ' SER . . . . . . . . . . . . . 16.1 t -156.81 176.79 12.27 Favored 'General case' 0 C--O 1.242 0.669 0 C-N-CA 128.107 2.563 . . . . 10.0 110.034 -166.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1907 ' ' LYS . . . . . . . . . . . . . 58.8 mttp -130.68 107.81 9.44 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 126.312 1.845 . . . . 10.0 110.208 177.114 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1908 ' ' ALA . . . . . . . . . . . . . . . -64.43 155.24 33.23 Favored 'General case' 0 CA--C 1.554 1.127 0 C-N-CA 124.355 1.062 . . . . 10.0 112.031 173.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1909 ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -77.84 97.98 5.43 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 124.142 0.977 . . . . 10.0 110.808 174.066 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1910 ' ' ILE . . . . . . . . . . . . . 22.2 mt -76.16 130.46 36.2 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.023 0 C-N-CA 124.939 1.296 . . . . 10.0 110.98 -178.147 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1911 ' ' SER . . . . . . . . . . . . . 26.5 m -131.35 155.12 47.79 Favored 'General case' 0 N--CA 1.466 0.375 0 C-N-CA 127.81 2.444 . . . . 10.0 111.522 173.58 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1912 ' ' CYS . . . . . . . . . . . . . 27.9 p -152.41 171.81 17.47 Favored 'General case' 0 CA--C 1.555 1.158 0 C-N-CA 124.581 1.153 . . . . 10.0 111.78 173.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1913 ' ' THR . . . . . . . . . . . . . 52.8 m -134.97 134.02 40.1 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 125.016 1.326 . . . . 10.0 109.544 177.014 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1914 ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -72.63 40.04 0.08 Allowed 'General case' 0 CA--C 1.558 1.275 0 C-N-CA 129.082 2.953 . . . . 10.0 114.489 -178.203 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1915 ' ' ASN . . . . . . . . . . . . . 58.4 t30 -61.71 117.37 5.72 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 125.641 1.576 . . . . 10.0 111.922 -177.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1916 ' ' GLN . . . . . . . . . . . . . 69.3 mm-40 -68.56 4.39 1.42 Allowed 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 125.469 1.507 . . . . 10.0 114.363 178.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1917 ' ' ASP . . . . . . . . . . . . . 15.9 t70 -75.18 -6.1 47.9 Favored 'General case' 0 C--O 1.245 0.834 0 CA-C-N 119.833 1.197 . . . . 10.0 112.452 168.18 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1918 ' ' GLY . . . . . . . . . . . . . . . 96.22 -2.02 63.08 Favored Glycine 0 CA--C 1.54 1.648 0 C-N-CA 125.583 1.563 . . . . 10.0 114.552 179.188 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1919 ' ' THR . . . . . . . . . . . . . 35.9 p -79.31 128.78 33.75 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 121.246 -1.149 . . . . 10.0 112.16 179.023 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1920 ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -94.5 75.9 3.83 Favored 'General case' 0 C--O 1.237 0.417 0 N-CA-C 107.091 -1.448 . . . . 10.0 107.091 168.674 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1921 ' ' SER . . . . . . . . . . . . . 40.4 m -69.73 69.11 0.28 Allowed 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 126.611 1.965 . . . . 10.0 112.99 -169.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1922 ' ' VAL . . . . . 0.42 HG21 HD21 ' A' 1900 ' ' LEU . 53.7 t -70.02 123.39 23.73 Favored 'Isoleucine or valine' 0 C--O 1.245 0.85 0 C-N-CA 126.21 1.804 . . . . 10.0 110.918 177.727 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1923 ' ' SER . . . . . . . . . . . . . 80.4 p -123.87 148.92 46.38 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 125.275 1.43 . . . . 10.0 110.699 167.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1924 ' ' TYR . . . . . . . . . . . . . 12.0 p90 -157.56 172.16 19.06 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.714 1.206 . . . . 10.0 110.839 -176.51 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1925 ' ' LEU . . . . . . . . . . . . . 1.3 mt -140.52 92.92 8.94 Favored Pre-proline 0 CA--C 1.538 0.514 0 C-N-CA 124.117 0.967 . . . . 10.0 110.218 -174.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1926 ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -67.56 118.08 5.33 Favored 'Trans proline' 0 CA--C 1.533 0.435 0 C-N-CA 122.304 2.003 . . . . 10.0 112.371 173.015 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1927 ' ' VAL . . . . . . . . . . . . . 27.0 m -92.35 -6.21 10.66 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 O-C-N 120.638 -1.289 . . . . 10.0 113.982 -175.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1928 ' ' LEU . . . . . . . . . . . . . 2.7 tt -140.98 131.25 13.25 Favored Pre-proline 0 CA--C 1.543 0.678 0 C-N-CA 125.704 1.602 . . . . 10.0 112.49 -175.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1929 ' ' PRO . . . . . . . . . . . . . 19.1 Cg_exo -56.42 124.01 15.23 Favored 'Trans proline' 0 CA--C 1.543 0.947 0 C-N-CA 123.567 2.845 . . . . 10.0 113.182 177.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1930 ' ' GLY . . . . . . . . . . . . . . . -166.19 175.6 41.66 Favored Glycine 0 N--CA 1.479 1.503 0 N-CA-C 117.0 1.56 . . . . 10.0 117.0 -169.349 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1931 ' ' ASP . . . . . . . . . . . . . 81.2 m-20 -108.92 76.49 1.01 Allowed 'General case' 0 C--O 1.245 0.861 0 C-N-CA 126.844 2.058 . . . . 10.0 108.613 175.403 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1932 ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -74.21 151.15 40.02 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 120.9 -1.125 . . . . 10.0 111.467 -171.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1933 ' ' SER . . . . . . . . . . . . . 67.5 m -103.56 122.71 45.53 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 125.555 1.542 . . . . 10.0 110.506 171.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1934 ' ' ILE . . . . . . . . . . . . . 16.6 mm -85.83 109.98 19.17 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.67 0 N-CA-C 108.603 -0.888 . . . . 10.0 108.603 167.379 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1935 ' ' LEU . . . . . . . . . . . . . 2.6 mm? -89.45 84.04 6.39 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.8 1.24 . . . . 10.0 109.365 179.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1936 ' ' VAL . . . . . . . . . . . . . 22.0 t -80.81 98.35 3.71 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.228 0 O-C-N 120.543 -1.348 . . . . 10.0 110.98 178.189 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1937 ' ' LYS . . . . . . . . . . . . . 29.7 mtpt -99.84 84.25 2.87 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 128.182 2.593 . . . . 10.0 112.296 -175.186 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1938 ' ' TYR . . . . . . . . . . . . . 59.4 t80 -69.61 102.88 1.95 Allowed 'General case' 0 C--O 1.241 0.64 0 C-N-CA 123.497 0.719 . . . . 10.0 110.486 171.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1939 ' ' ASN . . . . . . . . . . . . . 14.7 t-20 50.32 62.49 2.65 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 125.561 1.544 . . . . 10.0 113.536 -169.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1940 ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 62.45 11.21 4.48 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 127.348 2.259 . . . . 10.0 116.167 171.365 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1941 ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -136.83 146.29 45.46 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.459 1.104 . . . . 10.0 110.614 169.439 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1942 ' ' HIS . . . . . . . . . . . . . 60.5 m-70 -65.83 143.03 57.73 Favored 'General case' 0 C--O 1.247 0.968 0 O-C-N 120.567 -1.333 . . . . 10.0 114.566 -169.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1943 ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -67.34 165.47 28.46 Favored Pre-proline 0 CA--C 1.544 0.722 0 C-N-CA 126.662 1.985 . . . . 10.0 112.671 174.739 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1944 ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -54.41 111.85 0.83 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 C-N-CA 125.136 3.891 . . . . 10.0 111.614 -176.175 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1945 ' ' GLY . . . . . . . . . . . . . . . 85.59 -2.63 87.89 Favored Glycine 0 CA--C 1.552 2.382 0 C-N-CA 125.986 1.755 . . . . 10.0 117.01 176.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1946 ' ' SER . . . . . . . . . . . . . 2.0 m -67.36 158.37 82.29 Favored Pre-proline 0 N--CA 1.483 1.208 0 CA-C-N 119.525 1.663 . . . . 10.0 112.602 172.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1947 ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -75.96 169.33 74.77 Favored 'Cis proline' 0 CA--C 1.547 1.161 0 N-CA-C 115.525 1.317 . . . . 10.0 115.525 -2.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1948 ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -107.09 117.17 33.35 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.797 1.639 . . . . 10.0 111.507 177.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1949 ' ' THR . . . . . . . . . . . . . 29.3 m -75.53 95.44 3.31 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 126.484 1.914 . . . . 10.0 111.22 177.005 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1950 ' ' ALA . . . . . . . . . . . . . . . -88.78 103.02 15.58 Favored 'General case' 0 C--O 1.243 0.743 0 C-N-CA 127.332 2.253 . . . . 10.0 113.846 178.359 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1951 ' ' ARG . . . . . . . . . . . . . 17.2 ttm180 -82.23 80.99 8.29 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 125.061 1.344 . . . . 10.0 112.702 -179.347 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1952 ' ' VAL . . . . . . . . . . . . . 3.0 t -59.22 100.13 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.548 0.901 0 C-N-CA 127.78 2.432 . . . . 10.0 112.731 169.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1953 ' ' THR . . . . . . . . . . . . . 7.2 t -73.75 151.48 40.64 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-O 121.229 0.537 . . . . 10.0 111.586 169.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1954 ' ' GLY . . . . . . . . . . . . . . . -117.21 161.21 13.22 Favored Glycine 0 CA--C 1.538 1.509 0 C-N-CA 125.337 1.446 . . . . 10.0 114.353 -175.013 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1955 ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -99.44 -5.74 28.88 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 126.348 1.859 . . . . 10.0 114.997 172.001 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1956 ' ' ASP . . . . . . . . . . . . . 28.4 t70 . . . . . 0 N--CA 1.484 1.25 0 C-N-CA 128.136 2.574 . . . . 10.0 112.75 -179.004 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A 1868 ' ' VAL . . . . . . . . . . . . . 14.1 p . . . . . 0 CA--C 1.546 0.795 0 N-CA-C 113.008 0.744 . . . . 10.0 113.008 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A 1869 ' ' THR . . . . . . . . . . . . . 49.7 p -145.83 164.22 32.6 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 126.41 1.884 . . . . 10.0 111.408 -179.416 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1870 ' ' ALA . . . . . . . . . . . . . . . -135.43 135.4 40.54 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.637 1.575 . . . . 10.0 110.515 173.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1871 ' ' TYR . . . . . . . . . . . . . 36.0 p90 -161.3 166.9 26.86 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.234 1.414 . . . . 10.0 112.111 -178.247 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1872 ' ' GLY . . . . . . . . . . . . . . . 133.08 170.4 12.44 Favored Glycine 0 CA--C 1.544 1.866 0 C-N-CA 126.025 1.774 . . . . 10.0 114.163 171.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1873 ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -73.31 -19.32 22.44 Favored 'Trans proline' 0 CA--C 1.546 1.101 0 C-N-CA 124.003 3.136 . . . . 10.0 112.993 -174.394 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1874 ' ' GLY . . . . . . . . . . . . . . . -58.96 -34.6 79.42 Favored Glycine 0 N--CA 1.476 1.31 0 O-C-N 120.781 -1.199 . . . . 10.0 113.622 172.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1875 ' ' LEU . . . . . . . . . . . . . 21.4 mt -70.85 -4.93 26.79 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 124.481 1.112 . . . . 10.0 113.754 174.313 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1876 ' ' THR . . . . . . . . . . . . . 46.7 m -114.61 -41.82 3.36 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 126.854 2.062 . . . . 10.0 113.253 176.186 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1877 ' ' HIS . . . . . . . . . . . . . 35.7 m80 -133.33 143.04 48.75 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.828 1.251 . . . . 10.0 113.087 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1878 ' ' GLY . . . . . . . . . . . . . . . -123.26 168.44 15.46 Favored Glycine 0 CA--C 1.547 2.093 0 C-N-CA 125.013 1.292 . . . . 10.0 113.38 177.002 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1879 ' ' VAL . . . . . . . . . . . . . 21.6 t -137.04 110.19 8.12 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 C-N-CA 125.23 1.412 . . . . 10.0 109.934 175.057 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1880 ' ' VAL . . . . . . . . . . . . . 58.3 t -55.38 127.96 14.95 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 C-N-CA 124.434 1.094 . . . . 10.0 110.967 -177.509 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1881 ' ' ASN . . . . . . . . . . . . . 81.2 m-20 64.27 15.11 9.19 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 127.558 2.343 . . . . 10.0 115.941 -177.257 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1882 ' ' LYS . . . . . 0.441 ' HA ' ' HD3' ' A' 1883 ' ' PRO . 47.5 tptt -125.14 134.45 25.76 Favored Pre-proline 0 C--N 1.355 0.814 0 CA-C-N 120.531 1.514 . . . . 10.0 111.274 170.202 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1883 ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' 1882 ' ' LYS . 31.6 Cg_exo -56.94 110.52 0.6 Allowed 'Trans proline' 0 C--N 1.358 1.056 0 C-N-CA 123.453 2.769 . . . . 10.0 113.281 -169.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1884 ' ' ALA . . . . . . . . . . . . . . . -81.16 153.36 27.29 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-O 122.104 0.954 . . . . 10.0 110.739 172.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1885 ' ' THR . . . . . . . . . . . . . 58.2 p -147.53 153.87 40.02 Favored 'General case' 0 N--CA 1.483 1.22 0 O-C-N 120.145 -1.597 . . . . 10.0 113.322 -176.25 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1886 ' ' PHE . . . . . . . . . . . . . 42.0 p90 -148.3 169.44 20.12 Favored 'General case' 0 C--O 1.239 0.548 0 C-N-CA 124.784 1.234 . . . . 10.0 112.401 167.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1887 ' ' THR . . . . . . . . . . . . . 93.8 m -103.12 131.4 50.16 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.977 1.311 . . . . 10.0 111.018 -174.106 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1888 ' ' VAL . . . . . . . . . . . . . 2.8 m -129.77 147.3 33.27 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.334 0 C-N-CA 125.594 1.558 . . . . 10.0 108.868 168.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1889 ' ' ASN . . . . . . . . . . . . . 3.4 t30 -129.96 76.82 1.75 Allowed 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.497 1.519 . . . . 10.0 111.521 -166.244 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 14.6 p -81.57 95.76 7.25 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 128.448 2.699 . . . . 10.0 111.643 -175.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1891 ' ' LYS . . . . . . . . . . . . . 60.5 pttt -57.8 -28.26 63.85 Favored 'General case' 0 N--CA 1.482 1.175 0 N-CA-C 113.167 0.802 . . . . 10.0 113.167 176.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 26.9 t70 -142.46 -66.55 0.39 Allowed 'General case' 0 CA--C 1.557 1.216 0 C-N-CA 125.045 1.338 . . . . 10.0 112.372 170.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1893 ' ' ALA . . . . . . . . . . . . . . . 55.66 -55.16 0.02 OUTLIER 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 128.721 2.808 . . . . 10.0 116.527 -174.097 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 2.035 0 C-N-CA 125.399 1.476 . . . . 10.0 113.703 177.495 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A 1898 ' ' LEU . . . . . . . . . . . . . 3.3 tt . . . . . 0 CA--C 1.544 0.714 0 N-CA-C 111.626 0.232 . . . . 10.0 111.626 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A 1899 ' ' SER . . . . . . . . . . . . . 19.8 t -132.25 150.84 52.07 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 126.192 1.797 . . . . 10.0 111.954 176.346 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1900 ' ' LEU . . . . . 0.401 HD11 HG21 ' A' 1922 ' ' VAL . 72.7 mt -127.44 156.79 41.54 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 114.844 1.424 . . . . 10.0 114.844 -174.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1901 ' ' ALA . . . . . . . . . . . . . . . -152.84 159.67 43.05 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 125.417 1.487 . . . . 10.0 108.871 165.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1902 ' ' ILE . . . . . . . . . . . . . 1.1 mp -127.55 144.58 37.01 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.639 0 C-N-CA 126.148 1.779 . . . . 10.0 109.134 177.375 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1903 ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -123.8 161.18 25.77 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 125.491 1.517 . . . . 10.0 111.915 168.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1904 ' ' GLY . . . . . . . . . . . . . . . 153.12 -164.25 30.84 Favored Glycine 0 CA--C 1.54 1.618 0 C-N-CA 124.836 1.208 . . . . 10.0 112.865 -169.518 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1905 ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -71.48 -16.41 30.74 Favored 'Trans proline' 0 C--N 1.363 1.311 0 C-N-CA 122.594 2.196 . . . . 10.0 111.911 171.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1906 ' ' SER . . . . . . . . . . . . . 11.3 t -154.26 153.91 32.52 Favored 'General case' 0 C--O 1.243 0.751 0 C-N-CA 128.063 2.545 . . . . 10.0 110.976 -166.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1907 ' ' LYS . . . . . . . . . . . . . 99.4 mttt -99.92 134.97 42.04 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.984 0.914 . . . . 10.0 110.867 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1908 ' ' ALA . . . . . . . . . . . . . . . -71.9 165.16 24.72 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.777 0.831 . . . . 10.0 112.802 172.526 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1909 ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -106.43 104.11 13.73 Favored 'General case' 0 CA--C 1.553 1.092 0 C-N-CA 125.438 1.495 . . . . 10.0 109.354 171.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1910 ' ' ILE . . . . . . . . . . . . . 52.4 mt -95.54 142.75 13.2 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.151 0 C-N-CA 125.322 1.449 . . . . 10.0 113.145 -167.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1911 ' ' SER . . . . . . . . . . . . . 52.1 m -143.33 171.13 14.54 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 129.453 3.101 . . . . 10.0 111.117 176.353 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1912 ' ' CYS . . . . . . . . . . . . . 25.5 p -150.7 163.53 38.33 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 125.258 1.423 . . . . 10.0 113.468 179.074 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1913 ' ' THR . . . . . . . . . . . . . 79.0 m -144.73 120.51 10.55 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.186 0.994 . . . . 10.0 110.628 -179.256 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1914 ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -72.39 94.43 1.63 Allowed 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 123.513 0.725 . . . . 10.0 110.188 168.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1915 ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -82.9 162.71 21.48 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-O 122.661 1.219 . . . . 10.0 112.219 -178.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1916 ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -61.75 -24.7 66.99 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 127.136 2.175 . . . . 10.0 114.328 -178.559 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1917 ' ' ASP . . . . . . . . . . . . . 26.9 t70 -82.24 -3.8 55.83 Favored 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 125.352 1.461 . . . . 10.0 112.56 176.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1918 ' ' GLY . . . . . . . . . . . . . . . 88.39 1.89 80.55 Favored Glycine 0 CA--C 1.538 1.498 0 C-N-CA 124.823 1.202 . . . . 10.0 114.095 179.186 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1919 ' ' THR . . . . . . . . . . . . . 18.2 p -70.2 158.26 36.14 Favored 'General case' 0 C--O 1.242 0.661 0 C-N-CA 126.014 1.725 . . . . 10.0 111.874 171.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1920 ' ' CYS . . . . . . . . . . . . . 1.7 t -102.62 9.12 39.53 Favored 'General case' 0 CA--C 1.559 1.316 0 C-N-CA 124.475 1.11 . . . . 10.0 112.883 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1921 ' ' SER . . . . . . . . . . . . . 50.1 m 12.86 79.18 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.101 1 C-N-CA 132.161 4.185 . . . . 10.0 114.928 -179.478 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1922 ' ' VAL . . . . . 0.401 HG21 HD11 ' A' 1900 ' ' LEU . 78.7 t -63.81 129.02 27.06 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 C-N-CA 123.541 0.736 . . . . 10.0 111.05 173.574 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1923 ' ' SER . . . . . . . . . . . . . 49.0 m -125.49 141.8 51.85 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 125.884 1.673 . . . . 10.0 110.176 169.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1924 ' ' TYR . . . . . . . . . . . . . 17.2 p90 -149.33 165.22 32.63 Favored 'General case' 0 C--O 1.235 0.322 0 O-C-N 121.634 -0.667 . . . . 10.0 111.985 -178.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1925 ' ' LEU . . . . . . . . . . . . . 4.2 mt -131.29 107.91 14.81 Favored Pre-proline 0 CA--C 1.547 0.843 0 O-C-N 121.511 -0.743 . . . . 10.0 110.807 -178.171 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1926 ' ' PRO . . . . . . . . . . . . . 80.2 Cg_endo -75.59 145.54 29.61 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 121.817 1.678 . . . . 10.0 109.594 168.512 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1927 ' ' VAL . . . . . . . . . . . . . 30.0 m -124.75 -6.13 6.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.925 0 C-N-CA 125.646 1.578 . . . . 10.0 114.586 -170.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1928 ' ' LEU . . . . . . . . . . . . . 5.2 tt -150.66 132.59 7.91 Favored Pre-proline 0 CA--C 1.554 1.111 0 C-N-CA 126.305 1.842 . . . . 10.0 110.472 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1929 ' ' PRO . . . . . . . . . . . . . 19.3 Cg_exo -55.03 133.81 60.2 Favored 'Trans proline' 0 C--N 1.353 0.796 0 C-N-CA 124.124 3.216 . . . . 10.0 113.558 -177.06 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1930 ' ' GLY . . . . . . . . . . . . . . . 177.43 178.73 47.28 Favored Glycine 0 CA--C 1.538 1.515 0 N-CA-C 116.75 1.46 . . . . 10.0 116.75 -178.246 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1931 ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -93.04 92.68 7.94 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 126.712 2.005 . . . . 10.0 110.134 174.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1932 ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -87.89 101.56 13.85 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.364 1.065 . . . . 10.0 110.281 -171.429 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1933 ' ' SER . . . . . . . . . . . . . 70.5 m -70.05 135.37 49.21 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 118.279 -0.867 . . . . 10.0 110.251 169.161 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1934 ' ' ILE . . . . . . . . . . . . . 7.5 mm -108.71 122.35 63.16 Favored 'Isoleucine or valine' 0 C--O 1.24 0.557 0 C-N-CA 125.475 1.51 . . . . 10.0 110.358 178.034 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1935 ' ' LEU . . . . . . . . . . . . . 2.7 mm? -113.09 79.54 1.25 Allowed 'General case' 0 C--O 1.236 0.384 0 C-N-CA 125.749 1.62 . . . . 10.0 109.001 -174.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1936 ' ' VAL . . . . . . . . . . . . . 20.6 t -81.48 125.17 39.55 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.268 0 O-C-N 121.064 -1.023 . . . . 10.0 109.016 175.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1937 ' ' LYS . . . . . . . . . . . . . 81.0 mttt -120.07 162.34 19.45 Favored 'General case' 0 C--O 1.241 0.639 0 C-N-CA 125.314 1.445 . . . . 10.0 112.017 170.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1938 ' ' TYR . . . . . . . . . . . . . 47.3 t80 -135.74 110.05 8.42 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 125.881 1.673 . . . . 10.0 110.695 170.24 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1939 ' ' ASN . . . . . . . . . . . . . 6.8 t30 65.59 -46.89 0.38 Allowed 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 129.132 2.973 . . . . 10.0 114.853 -176.16 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1940 ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -151.99 -29.93 0.16 Allowed 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 115.031 1.493 . . . . 10.0 115.031 -178.263 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1941 ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -123.58 160.27 27.41 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 125.547 1.539 . . . . 10.0 111.053 -168.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1942 ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -66.18 144.21 56.79 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-O 122.353 1.073 . . . . 10.0 111.453 179.4 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1943 ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -71.6 165.83 45.35 Favored Pre-proline 0 CA--C 1.55 0.977 0 C-N-CA 125.681 1.592 . . . . 10.0 112.332 -177.627 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1944 ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -55.62 110.43 0.55 Allowed 'Trans proline' 0 CA--C 1.538 0.708 0 C-N-CA 124.91 3.74 . . . . 10.0 111.82 -177.084 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1945 ' ' GLY . . . . . . . . . . . . . . . 91.49 -9.23 77.71 Favored Glycine 0 CA--C 1.534 1.221 0 C-N-CA 125.997 1.761 . . . . 10.0 115.695 -179.298 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1946 ' ' SER . . . . . . . . . . . . . 25.0 m -73.31 159.03 85.89 Favored Pre-proline 0 N--CA 1.482 1.148 0 CA-C-N 119.148 1.474 . . . . 10.0 112.653 173.036 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1947 ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -72.33 167.67 76.67 Favored 'Cis proline' 0 CA--C 1.552 1.391 0 CA-C-N 120.093 1.069 . . . . 10.0 113.198 -6.071 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1948 ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -121.55 165.92 14.97 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 126.971 2.108 . . . . 10.0 110.593 176.641 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1949 ' ' THR . . . . . . . . . . . . . 21.5 m -139.24 101.31 4.23 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 126.18 1.792 . . . . 10.0 111.243 176.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1950 ' ' ALA . . . . . . . . . . . . . . . -81.3 160.94 24.06 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.426 1.09 . . . . 10.0 112.669 172.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1951 ' ' ARG . . . . . . . . . . . . . 55.0 ttt180 -118.23 94.86 4.65 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 126.314 1.846 . . . . 10.0 111.118 171.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1952 ' ' VAL . . . . . . . . . . . . . 2.3 t -72.14 90.99 0.45 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.688 0 C-N-CA 126.345 1.858 . . . . 10.0 110.598 170.278 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1953 ' ' THR . . . . . . . . . . . . . 14.6 t -70.34 150.3 46.46 Favored 'General case' 0 N--CA 1.484 1.237 0 CA-C-O 120.852 0.358 . . . . 10.0 110.066 169.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1954 ' ' GLY . . . . . . . . . . . . . . . -123.48 141.36 13.61 Favored Glycine 0 CA--C 1.522 0.528 0 C-N-CA 124.999 1.285 . . . . 10.0 113.053 -170.199 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1955 ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -109.28 -4.73 16.24 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 126.588 1.955 . . . . 10.0 113.662 173.446 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1956 ' ' ASP . . . . . . . . . . . . . 38.6 t70 . . . . . 0 N--CA 1.478 0.929 0 C-N-CA 127.779 2.432 . . . . 10.0 113.278 176.836 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A 1868 ' ' VAL . . . . . . . . . . . . . 10.2 p . . . . . 0 CA--C 1.539 0.523 0 CA-C-O 122.473 1.13 . . . . 10.0 112.745 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A 1869 ' ' THR . . . . . . . . . . . . . 40.1 p -140.41 169.86 16.88 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 127.65 2.38 . . . . 10.0 109.84 176.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1870 ' ' ALA . . . . . . . . . . . . . . . -135.44 135.87 40.89 Favored 'General case' 0 CA--C 1.559 1.29 0 C-N-CA 124.55 1.14 . . . . 10.0 110.399 175.623 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1871 ' ' TYR . . . . . . . . . . . . . 50.8 p90 -155.99 167.74 29.45 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.753 1.621 . . . . 10.0 113.385 179.444 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1872 ' ' GLY . . . . . . . . . . . . . . . 131.36 165.36 11.42 Favored Glycine 0 C--N 1.349 1.3 0 C-N-CA 125.796 1.665 . . . . 10.0 114.402 176.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1873 ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -69.85 -27.32 26.18 Favored 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 123.087 2.525 . . . . 10.0 113.875 -176.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1874 ' ' GLY . . . . . . . . . . . . . . . -68.6 -6.38 49.49 Favored Glycine 0 CA--C 1.539 1.563 0 CA-C-O 118.506 -1.163 . . . . 10.0 115.839 178.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1875 ' ' LEU . . . . . . . . . . . . . 34.1 mt -90.09 -5.24 56.75 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 119.042 1.421 . . . . 10.0 112.812 169.309 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1876 ' ' THR . . . . . . . . . . . . . 23.8 m -129.38 -42.35 1.34 Allowed 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 124.626 1.17 . . . . 10.0 112.306 -168.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1877 ' ' HIS . . . . . . . . . . . . . 69.7 t60 -133.26 166.11 23.23 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 126.656 1.983 . . . . 10.0 110.959 177.04 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1878 ' ' GLY . . . . . . . . . . . . . . . -150.04 174.05 29.58 Favored Glycine 0 N--CA 1.471 1.022 0 C-N-CA 124.25 0.929 . . . . 10.0 113.341 -177.101 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1879 ' ' VAL . . . . . . . . . . . . . 14.2 p -148.26 147.04 17.38 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 C-N-CA 127.438 2.295 . . . . 10.0 107.595 175.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1880 ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -111.34 151.5 13.44 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 CA-C-O 122.611 1.196 . . . . 10.0 114.122 -167.338 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1881 ' ' ASN . . . . . . . . . . . . . 55.1 m-80 57.99 11.65 1.53 Allowed 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 127.903 2.481 . . . . 10.0 115.181 -168.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1882 ' ' LYS . . . . . . . . . . . . . 8.0 pttt -137.39 162.11 56.97 Favored Pre-proline 0 CA--C 1.55 0.967 0 C-N-CA 126.212 1.805 . . . . 10.0 109.175 168.368 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1883 ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -69.99 153.81 67.47 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.131 1.887 . . . . 10.0 113.906 -172.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1884 ' ' ALA . . . . . . . . . . . . . . . -135.96 151.88 50.39 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 126.577 1.951 . . . . 10.0 110.44 168.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1885 ' ' THR . . . . . . . . . . . . . 27.9 p -149.6 163.02 39.02 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 121.198 -0.939 . . . . 10.0 113.17 -169.171 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1886 ' ' PHE . . . . . . . . . . . . . 48.6 p90 -146.82 176.49 9.84 Favored 'General case' 0 C--O 1.241 0.656 0 C-N-CA 124.692 1.197 . . . . 10.0 111.446 169.236 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1887 ' ' THR . . . . . . . . . . . . . 43.1 m -119.05 135.57 54.57 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 125.603 1.561 . . . . 10.0 111.155 -173.192 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1888 ' ' VAL . . . . . . . . . . . . . 1.3 m -139.45 153.71 24.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 126.205 1.802 . . . . 10.0 108.544 170.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1889 ' ' ASN . . . . . . . . . . . . . 44.4 t30 -141.35 90.03 2.27 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 114.732 -1.122 . . . . 10.0 112.957 -168.471 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 9.3 p -80.15 2.87 22.48 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.609 1.564 . . . . 10.0 114.968 -175.244 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1891 ' ' LYS . . . . . . . . . . . . . 24.0 mtpt -60.84 135.3 57.74 Favored 'General case' 0 N--CA 1.473 0.719 0 O-C-N 121.03 -1.044 . . . . 10.0 111.742 177.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 20.2 m-20 55.17 15.55 1.31 Allowed 'General case' 0 CA--C 1.559 1.296 0 C-N-CA 128.985 2.914 . . . . 10.0 114.507 179.074 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1893 ' ' ALA . . . . . . . . . . . . . . . -67.58 -23.51 65.4 Favored 'General case' 0 C--N 1.352 0.693 0 N-CA-C 115.208 1.559 . . . . 10.0 115.208 -178.671 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.055 0 CA-C-O 123.286 1.492 . . . . 10.0 112.187 -177.014 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A 1898 ' ' LEU . . . . . . . . . . . . . 7.0 tt . . . . . 0 C--O 1.24 0.589 0 CA-C-O 120.91 0.386 . . . . 10.0 111.416 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A 1899 ' ' SER . . . . . . . . . . . . . 35.6 t -135.83 133.59 37.97 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 125.024 1.33 . . . . 10.0 110.223 171.428 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1900 ' ' LEU . . . . . . . . . . . . . 3.2 pp -141.83 167.15 22.83 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 124.895 1.278 . . . . 10.0 114.034 170.596 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1901 ' ' ALA . . . . . . . . . . . . . . . -148.42 164.02 35.36 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.308 1.443 . . . . 10.0 111.754 170.036 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1902 ' ' ILE . . . . . . . . . . . . . 1.4 mp -114.99 144.95 21.4 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 C-N-CA 124.997 1.319 . . . . 10.0 109.241 168.668 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1903 ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -129.12 160.07 34.01 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 126.221 1.809 . . . . 10.0 110.929 173.24 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1904 ' ' GLY . . . . . . . . . . . . . . . 163.57 -173.86 39.72 Favored Glycine 0 N--CA 1.474 1.171 0 C-N-CA 124.092 0.853 . . . . 10.0 112.959 -173.491 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1905 ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -72.71 -27.23 15.27 Favored 'Trans proline' 0 N--CA 1.483 0.898 0 C-N-CA 123.06 2.507 . . . . 10.0 112.927 178.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1906 ' ' SER . . . . . . . . . . . . . 7.8 t -145.39 47.03 1.3 Allowed 'General case' 0 N--CA 1.481 1.077 0 CA-C-O 124.163 1.935 . . . . 10.0 111.799 -165.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1907 ' ' LYS . . . . . . . . . . . . . 88.5 tttt -28.84 110.7 0.05 Allowed 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 130.551 3.54 . . . . 10.0 113.886 -174.429 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1908 ' ' ALA . . . . . . . . . . . . . . . -65.94 153.12 42.94 Favored 'General case' 0 C--O 1.243 0.714 0 C-N-CA 125.826 1.65 . . . . 10.0 112.545 177.507 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1909 ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -76.01 140.64 42.07 Favored 'General case' 0 CA--C 1.552 1.047 0 O-C-N 121.75 -0.594 . . . . 10.0 112.056 172.11 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1910 ' ' ILE . . . . . . . . . . . . . 32.9 mm -85.09 132.96 30.46 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.681 0 C-N-CA 125.233 1.413 . . . . 10.0 111.068 178.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1911 ' ' SER . . . . . . . . . . . . . 8.7 t -144.53 173.44 11.8 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 126.696 1.998 . . . . 10.0 110.515 169.481 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1912 ' ' CYS . . . . . . . . . . . . . 30.1 p -150.44 175.09 12.19 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 120.004 1.275 . . . . 10.0 112.836 173.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1913 ' ' THR . . . . . . . . . . . . . 15.2 t -60.24 150.08 31.25 Favored 'General case' 0 C--O 1.247 0.972 0 O-C-N 121.76 -0.588 . . . . 10.0 111.188 171.047 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1914 ' ' ASP . . . . . . . . . . . . . 33.8 t70 -66.92 -60.03 3.0 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.355 0.662 . . . . 10.0 110.865 171.216 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1915 ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -165.03 164.8 20.44 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 127.214 2.206 . . . . 10.0 110.788 167.2 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1916 ' ' GLN . . . . . . . . . . . . . 57.7 tp60 -150.36 -56.11 0.17 Allowed 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.378 1.471 . . . . 10.0 109.589 171.49 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1917 ' ' ASP . . . . . . . . . . . . . 35.7 t70 -146.86 -20.52 0.41 Allowed 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 114.3 1.222 . . . . 10.0 114.3 -178.21 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1918 ' ' GLY . . . . . . . . . . . . . . . 136.43 8.45 1.52 Allowed Glycine 0 CA--C 1.543 1.784 0 C-N-CA 125.727 1.632 . . . . 10.0 114.544 -172.04 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1919 ' ' THR . . . . . . . . . . . . . 20.0 p -66.86 168.94 8.85 Favored 'General case' 0 C--O 1.243 0.726 0 C-N-CA 126.802 2.041 . . . . 10.0 113.109 168.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1920 ' ' CYS . . . . . . . . . . . . . 4.1 t -121.72 15.92 11.05 Favored 'General case' 0 CA--C 1.556 1.209 0 C-N-CA 125.594 1.558 . . . . 10.0 111.852 173.624 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1921 ' ' SER . . . . . . . . . . . . . 63.0 m -37.46 103.25 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 128.438 2.695 . . . . 10.0 114.912 -167.409 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1922 ' ' VAL . . . . . . . . . . . . . 53.4 t -80.93 141.02 15.78 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 C-N-CA 126.016 1.726 . . . . 10.0 111.624 -173.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1923 ' ' SER . . . . . . . . . . . . . 55.4 m -127.26 140.78 51.99 Favored 'General case' 0 C--O 1.241 0.607 0 C-N-CA 127.487 2.315 . . . . 10.0 111.704 178.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1924 ' ' TYR . . . . . . . . . . . . . 24.4 p90 -140.38 168.57 19.5 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 125.342 1.457 . . . . 10.0 111.196 177.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1925 ' ' LEU . . . . . . . . . . . . . 1.1 tt -150.88 85.39 5.17 Favored Pre-proline 0 N--CA 1.481 1.096 0 O-C-N 120.791 -1.193 . . . . 10.0 109.681 -173.637 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1926 ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -74.48 158.2 44.35 Favored 'Trans proline' 0 N--CA 1.454 -0.821 0 C-N-CA 122.472 2.114 . . . . 10.0 111.37 -173.287 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1927 ' ' VAL . . . . . . . . . . . . . 35.5 m -124.72 -11.37 5.96 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 N-CA-C 114.325 1.231 . . . . 10.0 114.325 -173.402 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1928 ' ' LEU . . . . . . . . . . . . . 4.1 tt -142.38 130.48 11.57 Favored Pre-proline 0 CA--C 1.558 1.283 0 C-N-CA 125.549 1.54 . . . . 10.0 110.233 169.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1929 ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo -54.34 162.22 4.64 Favored 'Trans proline' 0 CA--C 1.536 0.612 0 C-N-CA 124.228 3.285 . . . . 10.0 116.097 -178.527 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1930 ' ' GLY . . . . . . . . . . . . . . . 161.98 -177.04 38.36 Favored Glycine 0 C--N 1.346 1.12 0 O-C-N 120.796 -1.19 . . . . 10.0 115.194 -171.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1931 ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -100.65 96.01 7.06 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.139 1.376 . . . . 10.0 109.271 174.651 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1932 ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -89.63 99.1 12.17 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 126.659 1.984 . . . . 10.0 112.036 -172.133 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1933 ' ' SER . . . . . . . . . . . . . 67.0 m -68.62 144.08 54.61 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.006 0.522 . . . . 10.0 110.984 175.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1934 ' ' ILE . . . . . . . . . . . . . 2.4 mm -121.9 116.05 48.16 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.854 0 C-N-CA 126.838 2.055 . . . . 10.0 109.391 175.43 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1935 ' ' LEU . . . . . . . . . . . . . 2.7 mm? -109.78 79.33 1.2 Allowed 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 125.369 1.468 . . . . 10.0 111.392 -169.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1936 ' ' VAL . . . . . . . . . . . . . 4.6 t -92.71 125.13 45.33 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.294 0 C-N-CA 123.925 0.89 . . . . 10.0 111.324 -174.091 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1937 ' ' LYS . . . . . . . . . . . . . 51.5 mttp -126.31 155.82 41.39 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 125.995 1.718 . . . . 10.0 114.014 174.065 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1938 ' ' TYR . . . . . . . . . . . . . 18.8 t80 -144.35 127.93 17.07 Favored 'General case' 0 C--O 1.239 0.539 0 C-N-CA 125.22 1.408 . . . . 10.0 108.18 169.022 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1939 ' ' ASN . . . . . . . . . . . . . 48.0 t30 48.59 63.96 1.88 Allowed 'General case' 0 CA--C 1.555 1.138 0 C-N-CA 126.051 1.741 . . . . 10.0 113.102 -171.593 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1940 ' ' GLU . . . . . . . . . . . . 0.324 10.9 pt-20 52.72 9.53 0.12 Allowed 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 130.432 3.493 . . . . 10.0 117.767 179.654 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1941 ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -127.95 151.34 49.23 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 126.732 2.013 . . . . 10.0 109.98 -178.342 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1942 ' ' HIS . . . . . . . . . . . . . 73.3 m-70 -64.61 149.55 48.67 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-N 120.983 1.719 . . . . 10.0 113.123 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1943 ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -68.82 165.9 32.61 Favored Pre-proline 0 CA--C 1.542 0.663 0 C-N-CA 125.966 1.706 . . . . 10.0 112.499 174.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1944 ' ' PRO . . . . . . . . . . . . . 57.5 Cg_exo -54.15 101.0 0.07 OUTLIER 'Trans proline' 0 CA--C 1.55 1.298 1 C-N-CA 126.079 4.519 . . . . 10.0 113.007 -177.097 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1945 ' ' GLY . . . . . . . . . . . . . . . 95.66 -6.05 67.36 Favored Glycine 0 CA--C 1.535 1.308 0 C-N-CA 125.991 1.758 . . . . 10.0 116.086 179.074 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1946 ' ' SER . . . . . . . . . . . . . 48.7 m -75.34 159.77 81.36 Favored Pre-proline 0 CA--C 1.553 1.064 0 C-N-CA 124.669 1.187 . . . . 10.0 113.09 175.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1947 ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -70.63 164.87 80.62 Favored 'Cis proline' 0 N--CA 1.492 1.4 0 CA-C-N 119.978 1.028 . . . . 10.0 112.475 -3.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1948 ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -119.5 165.63 14.15 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 126.186 1.794 . . . . 10.0 111.601 176.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1949 ' ' THR . . . . . . . . . . . . . 52.3 m -145.16 107.91 4.47 Favored 'General case' 0 N--CA 1.483 1.207 0 O-C-N 120.75 -1.219 . . . . 10.0 109.662 171.609 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1950 ' ' ALA . . . . . . . . . . . . . . . -78.04 160.78 27.91 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 123.829 0.852 . . . . 10.0 112.095 171.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1951 ' ' ARG . . . . . . . . . . . . . 53.4 ttt85 -127.89 95.99 4.37 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 113.649 0.981 . . . . 10.0 113.649 173.268 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1952 ' ' VAL . . . . . . . . . . . . . 26.0 t -57.57 134.89 22.01 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 129.048 2.939 . . . . 10.0 112.581 171.485 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1953 ' ' THR . . . . . . . . . . . . . 6.7 t -109.04 158.94 17.26 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.832 1.253 . . . . 10.0 112.02 171.247 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1954 ' ' GLY . . . . . . . . . . . . . . . -88.0 166.7 35.62 Favored Glycine 0 CA--C 1.542 1.77 0 N-CA-C 116.851 1.5 . . . . 10.0 116.851 -169.584 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1955 ' ' ASP . . . . . . . . . . . . . 25.7 t70 -75.24 -38.92 60.38 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.891 1.276 . . . . 10.0 111.72 172.537 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1956 ' ' ASP . . . . . . . . . . . . . 35.0 t70 . . . . . 0 C--O 1.249 1.053 0 C-N-CA 125.843 1.657 . . . . 10.0 112.63 175.04 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A 1868 ' ' VAL . . . . . . . . . . . . . 6.3 p . . . . . 0 N--CA 1.482 1.158 0 N-CA-C 109.696 -0.483 . . . . 10.0 109.696 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A 1869 ' ' THR . . . . . . . . . . . . . 64.9 p -142.59 159.26 42.59 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.651 0.781 . . . . 10.0 109.954 179.558 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1870 ' ' ALA . . . . . . . . . . . . . . . -120.76 138.17 54.14 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 124.068 0.947 . . . . 10.0 110.763 176.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1871 ' ' TYR . . . . . . . . . . . . . 49.6 p90 -154.43 153.18 31.12 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.884 1.274 . . . . 10.0 112.314 -175.624 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1872 ' ' GLY . . . . . . . . . . . . . . . 139.6 167.23 10.91 Favored Glycine 0 N--CA 1.478 1.476 0 C-N-CA 126.283 1.896 . . . . 10.0 112.57 -179.04 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1873 ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -66.15 -25.97 50.25 Favored 'Trans proline' 0 N--CA 1.478 0.57 0 C-N-CA 122.966 2.444 . . . . 10.0 111.622 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1874 ' ' GLY . . . . . . . . . . . . . . . -64.44 -7.36 26.21 Favored Glycine 0 CA--C 1.532 1.154 0 N-CA-C 116.582 1.393 . . . . 10.0 116.582 178.26 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1875 ' ' LEU . . . . . . . . . . . . . 72.1 mt -92.91 -11.55 33.16 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 119.082 1.441 . . . . 10.0 113.491 173.604 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1876 ' ' THR . . . . . . . . . . . . . 75.1 p -126.98 -28.81 2.86 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 114.529 1.307 . . . . 10.0 114.529 -176.357 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1877 ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -138.58 174.25 10.73 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 126.601 1.96 . . . . 10.0 110.679 178.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1878 ' ' GLY . . . . . . . . . . . . . . . -160.99 176.43 37.58 Favored Glycine 0 CA--C 1.54 1.649 0 O-C-N 121.161 -0.962 . . . . 10.0 113.535 176.05 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1879 ' ' VAL . . . . . . . . . . . . . 7.2 p -138.24 144.3 30.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 124.853 1.261 . . . . 10.0 110.994 174.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1880 ' ' VAL . . . . . . . . . . . . . 82.7 t -92.59 143.14 12.01 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 C-N-CA 127.005 2.122 . . . . 10.0 112.028 -169.1 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1881 ' ' ASN . . . . . . . . . . . . . 72.8 m-20 57.49 10.81 1.05 Allowed 'General case' 0 CA--C 1.554 1.112 0 C-N-CA 128.909 2.884 . . . . 10.0 116.662 179.192 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1882 ' ' LYS . . . . . 0.414 ' HA ' ' HD3' ' A' 1883 ' ' PRO . 0.5 OUTLIER -137.11 141.58 34.98 Favored Pre-proline 0 N--CA 1.478 0.936 0 O-C-N 120.121 -1.612 . . . . 10.0 108.785 167.61 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A 1883 ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' 1882 ' ' LYS . 64.5 Cg_exo -52.77 140.98 55.97 Favored 'Trans proline' 0 C--O 1.245 0.85 0 C-N-CA 124.358 3.372 . . . . 10.0 115.002 -173.398 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1884 ' ' ALA . . . . . . . . . . . . . . . -121.66 157.59 30.53 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 126.724 2.01 . . . . 10.0 110.875 173.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1885 ' ' THR . . . . . . . . . . . . . 57.6 p -148.43 161.91 40.65 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 115.947 1.832 . . . . 10.0 115.947 -170.119 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1886 ' ' PHE . . . . . . . . . . . . . 54.7 p90 -157.16 165.22 36.6 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 127.273 2.229 . . . . 10.0 112.158 166.661 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1887 ' ' THR . . . . . . . . . . . . . 22.5 m -106.71 151.2 25.43 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 126.222 1.809 . . . . 10.0 111.469 -175.656 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1888 ' ' VAL . . . . . . . . . . . . . 2.2 m -146.92 49.65 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 C-N-CA 126.877 2.071 . . . . 10.0 110.924 -167.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1889 ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -50.77 120.16 4.52 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 126.836 2.055 . . . . 10.0 114.375 -172.704 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 62.2 p -100.56 13.16 35.59 Favored 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 127.965 2.506 . . . . 10.0 113.829 -172.497 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1891 ' ' LYS . . . . . . . . . . . . . 99.4 mttt -62.68 120.57 11.46 Favored 'General case' 0 C--O 1.239 0.525 0 C-N-CA 125.522 1.529 . . . . 10.0 110.462 -176.176 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 19.6 t70 53.5 26.08 5.27 Favored 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 128.359 2.664 . . . . 10.0 114.329 -176.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1893 ' ' ALA . . . . . . . . . . . . . . . -62.45 -44.7 95.77 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 126.274 1.83 . . . . 10.0 115.259 -175.158 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 1.76 0 C-N-CA 123.402 0.525 . . . . 10.0 113.894 -169.978 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A 1898 ' ' LEU . . . . . . . . . . . . . 6.5 tt . . . . . 0 CA--C 1.547 0.863 0 CA-C-O 121.239 0.542 . . . . 10.0 110.613 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A 1899 ' ' SER . . . . . . . . . . . . . 69.3 m -135.76 128.55 31.06 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 126.356 1.862 . . . . 10.0 110.796 178.65 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1900 ' ' LEU . . . . . . . . . . . . . 3.4 pp -145.35 167.37 23.06 Favored 'General case' 0 C--O 1.237 0.446 0 N-CA-C 113.973 1.101 . . . . 10.0 113.973 172.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1901 ' ' ALA . . . . . . . . . . . . . . . -147.88 161.72 40.73 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 114.809 -1.087 . . . . 10.0 110.369 168.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1902 ' ' ILE . . . . . . . . . . . . . 2.1 mp -109.37 124.44 66.06 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 N-CA-C 107.252 -1.388 . . . . 10.0 107.252 168.426 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1903 ' ' GLU . . . . . . . . . . . . . 39.3 mm-40 -104.88 165.25 11.2 Favored 'General case' 0 C--O 1.218 -0.585 0 C-N-CA 127.076 2.151 . . . . 10.0 110.259 168.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1904 ' ' GLY . . . . . . . . . . . . . . . 171.71 -172.18 44.49 Favored Glycine 0 CA--C 1.533 1.191 0 C-N-CA 123.565 0.602 . . . . 10.0 112.705 -179.274 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1905 ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -72.19 -23.24 21.39 Favored 'Trans proline' 0 C--N 1.358 1.036 0 C-N-CA 123.245 2.63 . . . . 10.0 113.081 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1906 ' ' SER . . . . . . . . . . . . . 11.7 t -142.04 13.51 2.05 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 126.125 1.77 . . . . 10.0 114.755 -166.07 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1907 ' ' LYS . . . . . . . . . . . . . 55.4 tptt 45.47 98.91 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.562 0 C-N-CA 128.97 2.908 . . . . 10.0 116.248 168.544 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1908 ' ' ALA . . . . . . . . . . . . . . . -65.44 153.3 41.72 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.955 0.902 . . . . 10.0 112.881 173.514 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1909 ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -88.6 118.65 28.41 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 124.542 1.137 . . . . 10.0 111.515 175.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1910 ' ' ILE . . . . . . . . . . . . . 22.2 mm -83.64 131.89 32.77 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.3 0 C-N-CA 125.308 1.443 . . . . 10.0 111.242 -173.106 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1911 ' ' SER . . . . . . . . . . . . . 57.7 m -140.8 162.53 35.22 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 126.375 1.87 . . . . 10.0 109.416 170.059 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1912 ' ' CYS . . . . . . . . . . . . . 28.9 p -151.71 168.44 25.03 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.373 1.069 . . . . 10.0 112.234 176.484 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1913 ' ' THR . . . . . . . . . . . . . 9.5 m -106.51 149.33 27.22 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.958 1.303 . . . . 10.0 111.859 -177.175 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1914 ' ' ASP . . . . . . . . . . . . . 36.6 p-10 -109.6 7.79 24.71 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 126.017 1.727 . . . . 10.0 115.612 -168.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1915 ' ' ASN . . . . . . . . . . . . . 31.9 m120 -63.82 119.99 11.05 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.84 1.256 . . . . 10.0 112.176 172.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1916 ' ' GLN . . . . . . . . . . . . . 55.3 mt-30 -74.13 56.91 0.63 Allowed 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 126.612 1.965 . . . . 10.0 112.924 179.129 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1917 ' ' ASP . . . . . . . . . . . . . 29.6 t70 -111.63 4.65 18.79 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 126.265 1.826 . . . . 10.0 114.287 -175.501 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1918 ' ' GLY . . . . . . . . . . . . . . . 94.2 34.1 6.59 Favored Glycine 0 CA--C 1.542 1.722 0 C-N-CA 124.623 1.106 . . . . 10.0 115.062 179.348 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1919 ' ' THR . . . . . . . . . . . . . 15.3 t -151.56 171.93 16.82 Favored 'General case' 0 N--CA 1.483 1.212 0 CA-C-O 122.02 0.914 . . . . 10.0 112.85 172.298 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1920 ' ' CYS . . . . . . . . . . . . . 3.4 t -122.31 29.37 7.01 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 128.038 2.535 . . . . 10.0 111.985 -179.121 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1921 ' ' SER . . . . . . . . . . . . . 68.3 m -33.02 119.99 0.34 Allowed 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 129.759 3.224 . . . . 10.0 114.313 -166.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1922 ' ' VAL . . . . . . . . . . . . . 52.6 t -105.21 132.06 52.95 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 C-N-CA 126.011 1.725 . . . . 10.0 110.804 -169.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1923 ' ' SER . . . . . . . . . . . . . 52.1 m -122.24 121.7 37.41 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 127.072 2.149 . . . . 10.0 110.085 173.681 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1924 ' ' TYR . . . . . . . . . . . . . 25.2 p90 -121.78 164.9 16.68 Favored 'General case' 0 C--O 1.232 0.172 0 C-N-CA 124.34 1.056 . . . . 10.0 111.314 177.277 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1925 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -146.04 89.77 5.96 Favored Pre-proline 0 CA--C 1.546 0.802 0 O-C-N 121.098 -1.001 . . . . 10.0 111.525 -174.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1926 ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -76.87 131.13 11.94 Favored 'Trans proline' 0 CA--C 1.538 0.681 0 C-N-CA 123.652 2.901 . . . . 10.0 111.503 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1927 ' ' VAL . . . . . . . . . . . . . 34.5 m -85.97 -18.86 8.66 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 N-CA-C 114.209 1.189 . . . . 10.0 114.209 -178.633 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1928 ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -138.58 161.42 58.8 Favored Pre-proline 0 N--CA 1.474 0.763 0 C-N-CA 125.801 1.64 . . . . 10.0 111.978 170.406 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1929 ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -70.26 163.01 40.22 Favored 'Trans proline' 0 CA--C 1.537 0.663 0 C-N-CA 124.705 3.603 . . . . 10.0 112.443 177.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1930 ' ' GLY . . . . . . . . . . . . . . . 160.09 179.67 35.04 Favored Glycine 0 N--CA 1.47 0.914 0 CA-C-O 122.009 0.783 . . . . 10.0 114.76 177.269 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1931 ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -92.53 86.72 5.7 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 124.85 1.26 . . . . 10.0 110.244 170.262 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1932 ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -78.95 154.6 29.48 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 124.425 1.09 . . . . 10.0 109.994 178.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1933 ' ' SER . . . . . . . . . . . . . 27.1 t -129.11 122.28 29.57 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 124.937 1.295 . . . . 10.0 110.178 -173.253 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1934 ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -94.03 113.7 29.21 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.501 0 C-N-CA 126.6 1.96 . . . . 10.0 108.822 -178.686 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1935 ' ' LEU . . . . . 0.41 HD13 ' HB3' ' A' 1947 ' ' PRO . 2.8 mm? -99.1 89.88 4.41 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 125.455 1.502 . . . . 10.0 110.664 177.802 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1936 ' ' VAL . . . . . . . . . . . . . 4.1 t -90.63 133.26 32.97 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.439 0 O-C-N 119.771 -1.83 . . . . 10.0 110.813 179.561 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1937 ' ' LYS . . . . . . . . . . . . . 63.0 mttm -130.02 151.71 50.27 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 127.888 2.475 . . . . 10.0 111.646 171.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1938 ' ' TYR . . . . . . . . . . . . . 36.8 t80 -139.88 109.39 6.23 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.502 1.521 . . . . 10.0 109.269 169.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1939 ' ' ASN . . . . . . . . . . . . . 8.5 t-20 52.49 73.99 0.31 Allowed 'General case' 0 CA--C 1.556 1.183 0 C-N-CA 125.365 1.466 . . . . 10.0 112.648 -169.255 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1940 ' ' GLU . . . . . . . . . . . . . 3.7 tp10 73.29 -26.27 0.19 Allowed 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 128.8 2.84 . . . . 10.0 115.096 172.167 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1941 ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -116.88 151.14 37.22 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 125.302 1.441 . . . . 10.0 111.793 -170.59 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1942 ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -67.27 153.7 43.06 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-O 122.7 1.238 . . . . 10.0 112.771 -172.117 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1943 ' ' VAL . . . . . 0.494 HG13 ' HD2' ' A' 1944 ' ' PRO . 0.6 OUTLIER -71.96 165.81 46.53 Favored Pre-proline 0 CA--C 1.543 0.678 0 C-N-CA 125.749 1.62 . . . . 10.0 112.259 175.005 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A 1944 ' ' PRO . . . . . 0.494 ' HD2' HG13 ' A' 1943 ' ' VAL . 51.4 Cg_exo -58.57 111.49 0.89 Allowed 'Trans proline' 0 CA--C 1.548 1.217 0 C-N-CA 124.833 3.688 . . . . 10.0 112.534 -175.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1945 ' ' GLY . . . . . . . . . . . . . . . 85.75 -5.72 82.86 Favored Glycine 0 CA--C 1.533 1.204 0 C-N-CA 124.832 1.206 . . . . 10.0 116.076 179.691 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1946 ' ' SER . . . . . 0.436 ' OG ' HG12 ' A' 1943 ' ' VAL . 46.6 m -68.77 158.72 85.05 Favored Pre-proline 0 N--CA 1.478 0.969 0 CA-C-N 119.098 1.449 . . . . 10.0 113.211 176.415 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1947 ' ' PRO . . . . . 0.41 ' HB3' HD13 ' A' 1935 ' ' LEU . 74.3 Cg_endo -75.68 170.42 71.87 Favored 'Cis proline' 0 CA--C 1.54 0.795 0 CA-C-N 119.465 0.845 . . . . 10.0 113.954 -2.82 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1948 ' ' PHE . . . . . . . . . . . . . 33.8 m-85 -119.0 164.22 15.8 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 124.471 1.108 . . . . 10.0 111.179 177.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1949 ' ' THR . . . . . . . . . . . . . 62.9 m -134.56 107.09 7.33 Favored 'General case' 0 N--CA 1.488 1.441 0 C-N-CA 125.751 1.62 . . . . 10.0 110.263 -176.6 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1950 ' ' ALA . . . . . . . . . . . . . . . -99.81 117.75 34.79 Favored 'General case' 0 C--O 1.24 0.583 0 C-N-CA 127.301 2.24 . . . . 10.0 113.307 -178.432 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1951 ' ' ARG . . . . . . . . . . . . . 31.2 ttm180 -85.79 87.6 7.43 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-O 123.073 1.416 . . . . 10.0 114.1 175.666 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1952 ' ' VAL . . . . . . . . . . . . . 25.7 t -57.79 111.15 0.44 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.586 0 C-N-CA 129.042 2.937 . . . . 10.0 111.375 168.34 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1953 ' ' THR . . . . . . . . . . . . . 91.4 m -96.87 138.61 34.16 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 125.944 1.698 . . . . 10.0 111.136 -179.32 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1954 ' ' GLY . . . . . . . . . . . . . . . -78.88 172.36 55.26 Favored Glycine 0 CA--C 1.543 1.797 0 C-N-CA 125.219 1.39 . . . . 10.0 115.531 -169.437 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1955 ' ' ASP . . . . . . . . . . . . . 33.8 t70 -135.95 -40.51 0.68 Allowed 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 125.494 1.518 . . . . 10.0 114.561 -171.622 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1956 ' ' ASP . . . . . . . . . . . . . 22.2 t70 . . . . . 0 N--CA 1.477 0.891 0 C-N-CA 126.968 2.107 . . . . 10.0 112.595 179.147 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A 1868 ' ' VAL . . . . . 0.421 ' HB ' ' HB2' ' A' 1893 ' ' ALA . 14.7 p . . . . . 0 N--CA 1.481 1.083 0 N-CA-C 114.094 1.146 . . . . 10.0 114.094 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1869 ' ' THR . . . . . . . . . . . . . 40.7 p -141.33 167.64 21.7 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 127.345 2.258 . . . . 10.0 109.975 169.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1870 ' ' ALA . . . . . . . . . . . . . . . -125.97 137.52 53.69 Favored 'General case' 0 C--O 1.24 0.563 0 C-N-CA 126.191 1.796 . . . . 10.0 110.7 169.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1871 ' ' TYR . . . . . . . . . . . . . 28.8 p90 -155.19 151.56 28.32 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.076 1.35 . . . . 10.0 112.084 -176.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1872 ' ' GLY . . . . . . . . . . . . . . . 143.42 175.33 16.43 Favored Glycine 0 CA--C 1.528 0.879 0 O-C-N 121.278 -0.889 . . . . 10.0 114.316 179.247 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1873 ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -67.0 -33.62 31.7 Favored 'Trans proline' 0 C--N 1.355 0.887 0 C-N-CA 123.245 2.63 . . . . 10.0 112.441 -179.168 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1874 ' ' GLY . . . . . . . . . . . . . . . -74.06 5.98 23.17 Favored Glycine 0 N--CA 1.476 1.318 0 C-N-CA 126.698 2.094 . . . . 10.0 115.125 -177.114 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1875 ' ' LEU . . . . . . . . . . . . . 51.1 mt -105.76 -11.86 16.11 Favored 'General case' 0 CA--C 1.549 0.913 0 CA-C-N 119.319 1.559 . . . . 10.0 113.119 169.207 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1876 ' ' THR . . . . . . . . . . . . . 36.6 p -122.65 -33.13 3.46 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 126.208 1.803 . . . . 10.0 111.627 -174.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1877 ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -132.18 174.06 10.6 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 128.6 2.76 . . . . 10.0 110.985 173.446 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1878 ' ' GLY . . . . . . . . . . . . . . . -151.86 -178.77 26.91 Favored Glycine 0 CA--C 1.53 0.978 0 C-N-CA 125.455 1.502 . . . . 10.0 112.147 172.449 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1879 ' ' VAL . . . . . . . . . . . . . 12.9 p -147.64 144.41 19.4 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 C-N-CA 125.931 1.692 . . . . 10.0 107.81 173.045 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1880 ' ' VAL . . . . . . . . . . . . 0.259 0.3 OUTLIER -100.27 142.11 16.07 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 N-CA-C 113.621 0.971 . . . . 10.0 113.621 -168.074 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A 1881 ' ' ASN . . . . . . . . . . . . 0.264 67.2 m-80 61.19 11.84 3.76 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 126.584 1.954 . . . . 10.0 115.716 -174.286 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1882 ' ' LYS . . . . . 0.411 ' HA ' ' HD3' ' A' 1883 ' ' PRO . 5.8 tptp -126.66 132.35 24.28 Favored Pre-proline 0 N--CA 1.485 1.303 0 C-N-CA 127.842 2.457 . . . . 10.0 108.067 168.497 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1883 ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' 1882 ' ' LYS . 53.1 Cg_exo -57.57 131.95 47.47 Favored 'Trans proline' 0 C--N 1.352 0.711 0 C-N-CA 122.729 2.286 . . . . 10.0 110.466 -176.81 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1884 ' ' ALA . . . . . . . . . . . . . . . -106.65 154.15 21.35 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 126.734 2.014 . . . . 10.0 109.686 177.169 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1885 ' ' THR . . . . . . . . . . . . . 66.9 p -149.77 163.1 38.89 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 113.599 0.963 . . . . 10.0 113.599 -171.365 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1886 ' ' PHE . . . . . . . . . . . . . 54.7 p90 -151.07 165.32 34.17 Favored 'General case' 0 C--O 1.239 0.552 0 C-N-CA 126.065 1.746 . . . . 10.0 111.061 168.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1887 ' ' THR . . . . . . . . . . . . . 89.5 m -98.42 142.04 30.54 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.732 1.213 . . . . 10.0 110.425 -179.135 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1888 ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -128.08 148.88 32.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 C-N-CA 126.904 2.082 . . . . 10.0 108.273 168.592 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1889 ' ' ASN . . . . . . . . . . . . . 51.3 t30 -132.87 77.0 1.72 Allowed 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 125.522 1.529 . . . . 10.0 112.623 -167.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 28.6 p -81.2 4.78 19.07 Favored 'General case' 0 N--CA 1.491 1.602 0 N-CA-C 115.712 1.745 . . . . 10.0 115.712 -171.663 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1891 ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -46.9 -44.58 19.87 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 117.647 2.462 . . . . 10.0 117.647 -166.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 25.0 t0 -130.58 29.09 4.85 Favored 'General case' 0 CA--C 1.55 0.977 0 CA-C-O 122.568 1.175 . . . . 10.0 112.781 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1893 ' ' ALA . . . . . 0.421 ' HB2' ' HB ' ' A' 1868 ' ' VAL . . . -74.38 -41.32 61.17 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 126.519 1.928 . . . . 10.0 114.858 -170.501 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.113 0 C-N-CA 125.435 1.493 . . . . 10.0 112.541 -170.424 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A 1898 ' ' LEU . . . . . . . . . . . . . 5.7 tt . . . . . 0 C--O 1.243 0.76 0 CA-C-O 119.834 -0.127 . . . . 10.0 111.226 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A 1899 ' ' SER . . . . . . . . . . . . . 32.7 t -142.21 140.53 32.36 Favored 'General case' 0 C--O 1.24 0.562 0 C-N-CA 123.655 0.782 . . . . 10.0 111.061 169.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1900 ' ' LEU . . . . . . . . . . . . . 25.0 mt -113.7 154.32 27.49 Favored 'General case' 0 C--O 1.243 0.729 0 CA-C-O 122.794 1.283 . . . . 10.0 114.363 -178.355 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1901 ' ' ALA . . . . . . . . . . . . . . . -143.87 162.3 36.45 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 125.534 1.534 . . . . 10.0 109.102 165.404 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1902 ' ' ILE . . . . . . . . . . . . . 1.4 tt -145.32 154.91 13.62 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 C-N-CA 124.855 1.262 . . . . 10.0 109.685 -179.618 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1903 ' ' GLU . . . . . . . . . . . . . 83.0 mt-10 -126.22 -177.3 3.92 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.34 1.456 . . . . 10.0 109.401 174.257 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1904 ' ' GLY . . . . . . . . . . . . . . . 132.25 -175.27 19.94 Favored Glycine 0 CA--C 1.547 2.062 0 C-N-CA 124.199 0.904 . . . . 10.0 112.449 -177.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1905 ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -70.21 -26.48 25.43 Favored 'Trans proline' 0 CA--C 1.537 0.636 0 C-N-CA 122.001 1.801 . . . . 10.0 114.759 177.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1906 ' ' SER . . . . . . . . . . . . . 6.8 t -153.12 60.43 0.78 Allowed 'General case' 0 CA--C 1.549 0.938 0 CA-C-O 123.573 1.654 . . . . 10.0 111.901 -164.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1907 ' ' LYS . . . . . . . . . . . . . 63.4 mtpt -32.75 121.87 0.35 Allowed 'General case' 0 N--CA 1.494 1.731 0 C-N-CA 130.148 3.379 . . . . 10.0 113.121 -174.355 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1908 ' ' ALA . . . . . . . . . . . . . . . -74.02 168.05 20.29 Favored 'General case' 0 C--N 1.348 0.522 0 N-CA-C 113.63 0.974 . . . . 10.0 113.63 -178.421 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1909 ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -106.6 113.25 26.65 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.023 0.929 . . . . 10.0 110.799 171.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1910 ' ' ILE . . . . . . . . . . . . . 1.7 mp -70.97 150.69 9.37 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.187 0 C-N-CA 127.097 2.159 . . . . 10.0 113.023 -174.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1911 ' ' SER . . . . . . . . . . . . . 7.6 t -146.05 173.71 11.94 Favored 'General case' 0 CA--C 1.564 1.509 0 C-N-CA 128.184 2.594 . . . . 10.0 110.377 167.503 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1912 ' ' CYS . . . . . . . . . . . . . 29.4 p -150.79 163.2 39.19 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 120.2 -1.562 . . . . 10.0 114.06 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1913 ' ' THR . . . . . . . . . . . . . 97.4 m -140.03 120.87 14.47 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.887 1.275 . . . . 10.0 109.101 -177.486 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1914 ' ' ASP . . . . . . . . . . . . . 3.4 p30 -69.12 -10.35 57.24 Favored 'General case' 0 N--CA 1.484 1.257 0 N-CA-C 115.478 1.659 . . . . 10.0 115.478 179.442 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1915 ' ' ASN . . . . . . . . . . . . . 39.0 t30 58.59 1.98 0.2 Allowed 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 128.854 2.862 . . . . 10.0 116.574 174.456 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1916 ' ' GLN . . . . . . . . . . . . . 58.6 mt-30 59.31 3.81 0.42 Allowed 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 126.787 2.035 . . . . 10.0 115.907 -168.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1917 ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -115.76 1.37 13.44 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-N 120.205 1.366 . . . . 10.0 114.178 178.772 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1918 ' ' GLY . . . . . . . . . . . . . . . 97.83 -3.92 60.99 Favored Glycine 0 CA--C 1.53 1.017 0 C-N-CA 125.19 1.376 . . . . 10.0 115.566 175.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1919 ' ' THR . . . . . . . . . . . . . 71.6 p -71.95 173.18 8.71 Favored 'General case' 0 N--CA 1.481 1.09 0 CA-C-N 119.262 1.531 . . . . 10.0 111.663 169.317 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1920 ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -123.76 17.36 9.47 Favored 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 114.696 1.369 . . . . 10.0 114.696 -176.285 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1921 ' ' SER . . . . . . . . . . . . . 44.2 m -12.81 99.95 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 130.539 3.535 . . . . 10.0 115.65 -176.318 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1922 ' ' VAL . . . . . . . . . . . . . 55.1 t -83.05 140.77 15.82 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 C-N-CA 125.912 1.685 . . . . 10.0 110.977 -173.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1923 ' ' SER . . . . . . . . . . . . . 33.1 m -126.24 152.65 45.81 Favored 'General case' 0 C--O 1.225 -0.197 0 C-N-CA 125.825 1.65 . . . . 10.0 111.599 172.514 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1924 ' ' TYR . . . . . . . . . . . . . 26.5 p90 -151.69 169.56 21.87 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 126.133 1.773 . . . . 10.0 111.42 171.042 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1925 ' ' LEU . . . . . . . . . . . . . 1.5 tm? -143.82 95.79 5.69 Favored Pre-proline 0 N--CA 1.474 0.769 0 C-N-CA 124.285 1.034 . . . . 10.0 111.59 -176.461 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1926 ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -80.64 149.85 18.7 Favored 'Trans proline' 0 CA--C 1.544 0.991 0 C-N-CA 122.932 2.421 . . . . 10.0 110.814 174.444 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1927 ' ' VAL . . . . . . . . . . . . . 34.4 m -118.48 -6.07 11.36 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 N-CA-C 114.96 1.467 . . . . 10.0 114.96 -175.684 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1928 ' ' LEU . . . . . . . . . . . . . 4.5 tt -143.66 128.16 9.47 Favored Pre-proline 0 CA--C 1.555 1.155 0 C-N-CA 125.268 1.427 . . . . 10.0 110.866 173.264 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1929 ' ' PRO . . . . . . . . . . . . . 89.2 Cg_exo -50.51 146.88 18.38 Favored 'Trans proline' 0 CA--C 1.55 1.287 0 C-N-CA 123.599 2.866 . . . . 10.0 115.764 -179.53 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1930 ' ' GLY . . . . . . . . . . . . . . . 172.0 -179.9 43.36 Favored Glycine 0 CA--C 1.528 0.906 0 CA-C-O 122.743 1.191 . . . . 10.0 115.143 -170.174 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1931 ' ' ASP . . . . . . . . . . . . . 16.2 p-10 -107.31 84.86 2.03 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 127.211 2.204 . . . . 10.0 110.659 -178.071 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1932 ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -85.78 100.31 11.95 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.409 1.083 . . . . 10.0 113.004 -169.324 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1933 ' ' SER . . . . . . . . . . . . . 20.6 t -66.48 129.77 40.94 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 120.909 -1.119 . . . . 10.0 110.539 176.077 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1934 ' ' ILE . . . . . . . . . . . . . 8.2 mm -101.95 129.95 52.45 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 125.022 1.329 . . . . 10.0 109.854 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1935 ' ' LEU . . . . . . . . . . . . . 3.0 mm? -118.98 91.4 3.55 Favored 'General case' 0 C--O 1.237 0.442 0 C-N-CA 126.21 1.804 . . . . 10.0 110.692 177.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1936 ' ' VAL . . . . . . . . . . . . . 47.4 t -91.83 109.94 21.99 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 C-N-CA 124.103 0.961 . . . . 10.0 109.251 175.134 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1937 ' ' LYS . . . . . . . . . . . . . 96.7 mttt -97.04 142.5 28.91 Favored 'General case' 0 N--CA 1.482 1.152 0 CA-C-N 119.307 0.958 . . . . 10.0 111.042 167.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1938 ' ' TYR . . . . . . . . . . . . . 17.9 t80 -138.14 107.79 6.23 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 125.218 1.407 . . . . 10.0 110.525 167.416 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1939 ' ' ASN . . . . . . . . . . . . . 1.5 t30 59.62 74.71 0.43 Allowed 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 126.641 1.976 . . . . 10.0 112.308 -178.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1940 ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 70.01 -3.95 1.63 Allowed 'General case' 0 N--CA 1.484 1.235 0 N-CA-C 117.722 2.49 . . . . 10.0 117.722 169.248 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1941 ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -138.41 160.78 38.66 Favored 'General case' 0 C--O 1.243 0.733 0 C-N-CA 125.459 1.504 . . . . 10.0 110.776 175.468 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1942 ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -68.61 152.89 44.74 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-O 121.968 0.889 . . . . 10.0 111.737 170.422 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1943 ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -67.08 163.9 40.69 Favored Pre-proline 0 CA--C 1.547 0.841 0 C-N-CA 126.247 1.819 . . . . 10.0 112.789 -176.534 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1944 ' ' PRO . . . . . . . . . . . . . 41.0 Cg_exo -60.93 -13.17 25.67 Favored 'Trans proline' 0 C--N 1.348 0.529 1 C-N-CA 125.794 4.33 . . . . 10.0 117.748 -168.517 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1945 ' ' GLY . . . . . . . . . . . . . . . -124.59 -6.22 6.75 Favored Glycine 0 CA--C 1.54 1.634 0 C-N-CA 126.466 1.984 . . . . 10.0 115.452 178.407 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1946 ' ' SER . . . . . . . . . . . . . 3.3 m -70.56 156.26 92.2 Favored Pre-proline 0 CA--C 1.547 0.844 0 CA-C-N 118.93 1.365 . . . . 10.0 111.71 174.309 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1947 ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -74.43 162.74 91.89 Favored 'Cis proline' 0 CA--C 1.545 1.031 0 CA-C-O 122.016 0.757 . . . . 10.0 112.54 -8.442 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1948 ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -119.77 168.09 11.43 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 125.879 1.672 . . . . 10.0 111.399 172.557 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1949 ' ' THR . . . . . . . . . . . . . 25.6 m -134.26 101.48 5.03 Favored 'General case' 0 N--CA 1.485 1.323 0 CA-C-N 119.817 1.19 . . . . 10.0 111.088 175.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1950 ' ' ALA . . . . . . . . . . . . . . . -81.3 104.6 11.87 Favored 'General case' 0 C--O 1.234 0.276 0 C-N-CA 124.974 1.31 . . . . 10.0 112.629 176.407 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1951 ' ' ARG . . . . . . . . . . . . . 58.2 ttp85 -78.26 89.97 4.33 Favored 'General case' 0 C--O 1.24 0.583 0 N-CA-C 113.307 0.854 . . . . 10.0 113.307 173.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1952 ' ' VAL . . . . . . . . . . . . . 44.6 t -59.01 114.79 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 C-N-CA 128.49 2.716 . . . . 10.0 111.833 169.115 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1953 ' ' THR . . . . . . . . . . . . . 4.2 t -96.69 167.9 10.84 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 125.143 1.377 . . . . 10.0 111.667 172.08 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1954 ' ' GLY . . . . . . . . . . . . . . . -69.91 175.66 34.44 Favored Glycine 0 CA--C 1.54 1.595 0 CA-C-O 123.995 1.886 . . . . 10.0 116.193 -176.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1955 ' ' ASP . . . . . . . . . . . . . 33.5 t70 -75.75 -18.26 59.61 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 125.406 1.483 . . . . 10.0 112.791 173.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1956 ' ' ASP . . . . . . . . . . . . . 33.7 t70 . . . . . 0 N--CA 1.488 1.436 0 C-N-CA 126.91 2.084 . . . . 10.0 113.924 -178.2 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A 1868 ' ' VAL . . . . . . . . . . . . . 7.1 p . . . . . 0 N--CA 1.474 0.74 0 CA-C-O 119.256 -0.402 . . . . 10.0 110.67 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A 1869 ' ' THR . . . . . . . . . . . . . 22.9 p -130.41 164.51 24.59 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 124.771 1.228 . . . . 10.0 113.976 -177.108 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1870 ' ' ALA . . . . . . . . . . . . . . . -138.46 126.8 23.04 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.698 1.599 . . . . 10.0 110.921 178.143 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1871 ' ' TYR . . . . . . . . . . . . . 55.4 p90 -147.61 164.83 32.25 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.644 1.178 . . . . 10.0 112.752 179.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1872 ' ' GLY . . . . . . . . . . . . . . . 132.91 173.04 13.17 Favored Glycine 0 N--CA 1.479 1.526 0 O-C-N 121.468 -0.77 . . . . 10.0 113.433 176.222 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1873 ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -65.67 -33.75 43.73 Favored 'Trans proline' 0 CA--C 1.54 0.803 0 C-N-CA 123.468 2.779 . . . . 10.0 112.535 -177.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1874 ' ' GLY . . . . . . . . . . . . . . . -67.98 -0.85 16.09 Favored Glycine 0 N--CA 1.48 1.612 0 C-N-CA 124.746 1.165 . . . . 10.0 115.972 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1875 ' ' LEU . . . . . . . . . . . . . 34.0 mt -103.16 -2.58 27.09 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.229 1.412 . . . . 10.0 114.059 171.44 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1876 ' ' THR . . . . . . . . . . . . . 13.2 t -135.02 -30.78 1.04 Allowed 'General case' 0 N--CA 1.482 1.142 0 N-CA-C 114.76 1.393 . . . . 10.0 114.76 -175.539 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1877 ' ' HIS . . . . . . . . . . . . . 13.0 t60 -134.9 -173.95 3.46 Favored 'General case' 0 CA--C 1.555 1.171 0 C-N-CA 125.569 1.548 . . . . 10.0 111.66 176.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1878 ' ' GLY . . . . . . . . . . . . . . . -172.83 173.93 45.65 Favored Glycine 0 CA--C 1.54 1.617 0 CA-C-N 118.984 0.811 . . . . 10.0 113.72 171.587 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1879 ' ' VAL . . . . . . . . . . . . . 33.5 t -133.89 109.69 13.24 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 C-N-CA 125.845 1.658 . . . . 10.0 109.909 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1880 ' ' VAL . . . . . . . . . . . . . 1.1 t -66.03 141.06 18.55 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 CA-C-O 122.431 1.11 . . . . 10.0 113.664 177.559 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1881 ' ' ASN . . . . . . . . . . . . . 34.4 m-20 70.41 0.32 3.17 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 127.687 2.395 . . . . 10.0 115.092 -175.279 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1882 ' ' LYS . . . . . . . . . . . . . 44.0 tptt -124.01 140.35 34.5 Favored Pre-proline 0 N--CA 1.485 1.284 0 C-N-CA 124.39 1.076 . . . . 10.0 110.814 173.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1883 ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -58.35 140.5 94.68 Favored 'Trans proline' 0 C--O 1.241 0.644 0 C-N-CA 122.851 2.367 . . . . 10.0 112.132 -179.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1884 ' ' ALA . . . . . . . . . . . . . . . -124.31 157.32 35.23 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 125.671 1.588 . . . . 10.0 111.249 174.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1885 ' ' THR . . . . . . . . . . . . . 29.1 p -146.08 159.54 43.14 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 113.648 0.981 . . . . 10.0 113.648 -171.072 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1886 ' ' PHE . . . . . . . . . . . . . 45.5 p90 -148.54 167.5 25.23 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 125.798 1.639 . . . . 10.0 111.984 168.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1887 ' ' THR . . . . . . . . . . . . . 64.4 m -118.1 113.23 21.29 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 124.608 1.163 . . . . 10.0 110.458 -170.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1888 ' ' VAL . . . . . . . . . . . . . 2.5 m -96.57 148.41 5.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.327 -0.851 . . . . 10.0 109.191 166.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1889 ' ' ASN . . . . . . . . . . . . . 32.5 t30 -136.93 95.69 3.16 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 127.197 2.199 . . . . 10.0 111.859 -164.035 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 25.4 p -93.58 23.88 4.37 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 129.316 3.046 . . . . 10.0 117.493 -167.071 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1891 ' ' LYS . . . . . . . . . . . . . 28.4 mtpp -46.83 -37.38 8.62 Favored 'General case' 0 N--CA 1.486 1.374 0 N-CA-C 117.088 2.255 . . . . 10.0 117.088 -168.658 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -122.69 14.45 10.13 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 125.737 1.615 . . . . 10.0 113.407 -179.671 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1893 ' ' ALA . . . . . . . . . . . . . . . -60.58 -28.54 68.57 Favored 'General case' 0 CA--C 1.551 0.99 0 N-CA-C 115.842 1.793 . . . . 10.0 115.842 -171.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.166 0 C-N-CA 126.484 1.993 . . . . 10.0 115.698 171.206 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A 1898 ' ' LEU . . . . . 0.483 ' HA ' ' H ' ' A' 1939 ' ' ASN . 0.0 OUTLIER . . . . . 0 CA--C 1.542 0.656 0 N-CA-C 113.378 0.881 . . . . 10.0 113.378 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1899 ' ' SER . . . . . . . . . . . . . 8.7 t -133.94 153.51 51.72 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.138 0.975 . . . . 10.0 112.315 -177.519 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1900 ' ' LEU . . . . . . . . . . . . . 7.6 mt -137.91 127.24 24.67 Favored 'General case' 0 C--O 1.241 0.626 0 C-N-CA 128.079 2.551 . . . . 10.0 110.514 -174.384 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1901 ' ' ALA . . . . . . . . . . . . . . . -143.49 162.47 35.74 Favored 'General case' 0 C--O 1.24 0.604 0 C-N-CA 124.526 1.13 . . . . 10.0 111.139 168.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1902 ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -132.83 129.33 58.01 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.889 0 C-N-CA 126.029 1.732 . . . . 10.0 108.349 179.191 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1903 ' ' GLU . . . . . . . . . . . . . 44.7 mm-40 -108.33 171.94 7.12 Favored 'General case' 0 C--N 1.319 -0.757 0 C-N-CA 128.049 2.54 . . . . 10.0 110.185 169.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1904 ' ' GLY . . . . . . . . . . . . . . . 144.27 -165.11 27.51 Favored Glycine 0 CA--C 1.542 1.738 0 C-N-CA 125.994 1.759 . . . . 10.0 112.624 -174.173 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1905 ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -70.24 -19.2 34.13 Favored 'Trans proline' 0 C--N 1.354 0.832 0 C-N-CA 122.419 2.08 . . . . 10.0 114.091 171.646 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1906 ' ' SER . . . . . . . . . . . . . 10.1 t -151.88 -176.04 5.48 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 128.181 2.592 . . . . 10.0 110.41 -167.401 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1907 ' ' LYS . . . . . . . . . . . . . 22.8 tptt -121.45 169.27 10.81 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 125.808 1.643 . . . . 10.0 112.651 -171.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1908 ' ' ALA . . . . . . . . . . . . . . . -146.09 166.15 26.99 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 125.68 1.592 . . . . 10.0 112.32 174.394 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1909 ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -64.61 158.14 25.17 Favored 'General case' 0 CA--C 1.557 1.216 0 C-N-CA 126.172 1.789 . . . . 10.0 113.246 174.511 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1910 ' ' ILE . . . . . . . . . . . . . 23.8 mm -129.26 104.51 11.11 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 C-N-CA 126.249 1.819 . . . . 10.0 110.23 177.469 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1911 ' ' SER . . . . . . . . . . . . . 49.4 m -135.91 89.11 2.45 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.486 1.115 . . . . 10.0 112.301 178.533 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1912 ' ' CYS . . . . . . . . . . . . . 28.6 p -79.2 156.21 28.28 Favored 'General case' 0 CA--C 1.546 0.811 0 O-C-N 121.877 -0.514 . . . . 10.0 110.524 168.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1913 ' ' THR . . . . . . . . . . . . . 13.1 m -141.31 100.34 3.77 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.46 1.104 . . . . 10.0 109.984 -179.077 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1914 ' ' ASP . . . . . . . . . . . . . 19.4 t70 -63.07 121.78 14.45 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.61 1.164 . . . . 10.0 111.829 169.223 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1915 ' ' ASN . . . . . . . . . . . . . 44.7 m-80 -128.82 163.35 25.4 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 124.42 1.088 . . . . 10.0 113.311 -171.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1916 ' ' GLN . . . . . . . . . . . . . 11.6 tp-100 -62.7 -23.83 67.34 Favored 'General case' 0 CA--C 1.556 1.173 0 C-N-CA 128.096 2.558 . . . . 10.0 113.245 -176.281 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1917 ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -86.95 -0.8 57.18 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 126.29 1.836 . . . . 10.0 113.568 -175.705 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1918 ' ' GLY . . . . . . . . . . . . . . . 87.49 39.2 7.31 Favored Glycine 0 CA--C 1.534 1.248 0 C-N-CA 125.245 1.403 . . . . 10.0 113.262 -178.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1919 ' ' THR . . . . . . . . . . . . . 37.2 p -129.92 159.52 36.39 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 126.32 1.848 . . . . 10.0 112.234 -177.273 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1920 ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -124.07 8.94 8.64 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 125.744 1.618 . . . . 10.0 114.2 178.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1921 ' ' SER . . . . . . . . . . . . . 73.9 m 13.58 100.07 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 130.805 3.642 . . . . 10.0 115.783 169.174 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1922 ' ' VAL . . . . . . . . . . . . . 85.1 t -100.52 120.29 49.8 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 124.765 1.226 . . . . 10.0 111.261 -175.004 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1923 ' ' SER . . . . . . . . . . . . . 51.8 m -103.45 145.9 29.31 Favored 'General case' 0 C--O 1.241 0.639 0 C-N-CA 127.191 2.197 . . . . 10.0 111.036 170.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1924 ' ' TYR . . . . . . . . . . . . . 13.8 p90 -146.75 173.36 12.45 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 126.254 1.822 . . . . 10.0 110.045 175.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1925 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -150.77 91.29 4.07 Favored Pre-proline 0 CA--C 1.544 0.724 0 O-C-N 120.39 -1.444 . . . . 10.0 110.319 -174.651 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1926 ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -76.08 154.49 37.55 Favored 'Trans proline' 0 CA--C 1.548 1.222 0 C-N-CA 123.344 2.696 . . . . 10.0 112.547 -176.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1927 ' ' VAL . . . . . . . . . . . . . 22.3 m -126.45 -13.63 4.11 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.196 0 N-CA-C 116.298 1.962 . . . . 10.0 116.298 -169.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1928 ' ' LEU . . . . . . . . . . . . . 5.8 tt -142.93 121.37 7.31 Favored Pre-proline 0 N--CA 1.475 0.789 0 C-N-CA 124.534 1.133 . . . . 10.0 110.465 175.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1929 ' ' PRO . . . . . . . . . . . . . 78.4 Cg_exo -55.95 141.47 86.08 Favored 'Trans proline' 0 CA--C 1.544 0.987 0 C-N-CA 124.067 3.178 . . . . 10.0 113.139 -170.641 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1930 ' ' GLY . . . . . . . . . . . . . . . 174.92 177.45 44.03 Favored Glycine 0 CA--C 1.532 1.103 0 N-CA-C 116.313 1.285 . . . . 10.0 116.313 -172.001 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1931 ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -90.35 82.74 5.92 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 126.176 1.79 . . . . 10.0 111.005 170.314 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1932 ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -73.84 148.44 42.39 Favored 'General case' 0 CA--C 1.548 0.879 0 O-C-N 120.701 -1.249 . . . . 10.0 110.319 178.537 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1933 ' ' SER . . . . . . . . . . . . . 59.5 m -124.82 108.25 11.75 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.376 1.47 . . . . 10.0 109.809 -179.672 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1934 ' ' ILE . . . . . . . . . . . . . 3.7 mm -76.85 133.7 30.35 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.332 0 N-CA-C 108.75 -0.833 . . . . 10.0 108.75 176.567 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1935 ' ' LEU . . . . . . . . . . . . . 4.3 mm? -112.6 110.84 21.24 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 127.917 2.487 . . . . 10.0 108.569 172.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1936 ' ' VAL . . . . . . . . . . . . . 73.7 t -118.73 106.91 20.41 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 C-N-CA 124.977 1.311 . . . . 10.0 110.063 173.285 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1937 ' ' LYS . . . . . . . . . . . . . 60.2 mttm -93.95 116.77 29.25 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.944 1.298 . . . . 10.0 108.256 168.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1938 ' ' TYR . . . . . . . . . . . . . 2.3 t80 -83.71 101.82 11.82 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 118.979 -1.088 . . . . 10.0 109.181 170.111 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1939 ' ' ASN . . . . . 0.483 ' H ' ' HA ' ' A' 1898 ' ' LEU . 17.6 t-20 61.4 -43.58 0.13 Allowed 'General case' 0 CA--C 1.548 0.875 1 C-N-CA 131.965 4.106 . . . . 10.0 115.265 -170.901 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A 1940 ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -150.16 -31.05 0.2 Allowed 'General case' 0 CA--C 1.55 0.974 0 O-C-N 120.624 -1.297 . . . . 10.0 114.224 -179.413 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1941 ' ' GLN . . . . . . . . . . . . . 60.5 mm-40 -118.03 145.53 44.71 Favored 'General case' 0 C--N 1.339 0.134 0 C-N-CA 124.45 1.1 . . . . 10.0 110.176 -170.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1942 ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -74.39 145.03 44.08 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-O 122.106 0.955 . . . . 10.0 113.296 -170.639 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1943 ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.02 160.86 52.83 Favored Pre-proline 0 C--N 1.316 -0.887 0 C-N-CA 124.398 1.079 . . . . 10.0 113.093 -174.003 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1944 ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -58.84 106.49 0.29 Allowed 'Trans proline' 0 CA--C 1.541 0.868 0 C-N-CA 124.891 3.727 . . . . 10.0 110.479 178.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1945 ' ' GLY . . . . . . . . . . . . . . . 96.42 -4.44 64.36 Favored Glycine 0 N--CA 1.473 1.132 0 C-N-CA 124.931 1.253 . . . . 10.0 115.068 179.443 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1946 ' ' SER . . . . . . . . . . . . . 3.1 m -64.4 149.29 95.13 Favored Pre-proline 0 CA--C 1.558 1.261 0 CA-C-N 119.867 1.833 . . . . 10.0 112.214 168.491 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1947 ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -75.27 162.9 91.77 Favored 'Cis proline' 0 CA--C 1.542 0.897 0 CA-C-N 119.667 0.917 . . . . 10.0 113.115 -5.552 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1948 ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -117.54 105.92 12.59 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.665 1.586 . . . . 10.0 112.287 -171.013 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1949 ' ' THR . . . . . . . . . . . . . 21.0 m -71.75 86.26 0.94 Allowed 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.597 1.559 . . . . 10.0 111.899 178.344 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1950 ' ' ALA . . . . . . . . . . . . . . . -84.19 99.8 10.76 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 126.92 2.088 . . . . 10.0 111.496 175.105 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1951 ' ' ARG . . . . . . . . . . . . . 48.0 ttm-85 -86.28 82.86 7.86 Favored 'General case' 0 N--CA 1.482 1.164 0 O-C-N 120.992 -1.068 . . . . 10.0 112.53 -176.494 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1952 ' ' VAL . . . . . . . . . . . . . 6.3 t -55.17 129.15 16.2 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 C-N-CA 128.629 2.771 . . . . 10.0 112.725 171.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1953 ' ' THR . . . . . . . . . . . . . 6.2 t -111.73 160.77 16.98 Favored 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 124.455 1.102 . . . . 10.0 111.62 175.17 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1954 ' ' GLY . . . . . . . . . . . . . . . -98.36 82.43 0.63 Allowed Glycine 0 N--CA 1.473 1.13 0 C-N-CA 126.286 1.898 . . . . 10.0 112.311 -179.04 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1955 ' ' ASP . . . . . . . . . . . . . 30.0 t70 -63.63 -25.66 68.32 Favored 'General case' 0 CA--C 1.553 1.059 0 N-CA-C 115.05 1.5 . . . . 10.0 115.05 -179.542 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1956 ' ' ASP . . . . . . . . . . . . . 30.7 t70 . . . . . 0 C--O 1.252 1.224 0 C-N-CA 127.525 2.33 . . . . 10.0 112.462 179.086 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A 1868 ' ' VAL . . . . . . . . . . . . . 9.1 p . . . . . 0 N--CA 1.488 1.453 0 CA-C-O 122.489 1.138 . . . . 10.0 110.837 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A 1869 ' ' THR . . . . . . . . . . . . . 3.6 m -156.13 151.25 26.47 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 128.974 2.91 . . . . 10.0 106.854 179.191 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1870 ' ' ALA . . . . . . . . . . . . . . . -81.05 135.19 35.79 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 119.478 1.035 . . . . 10.0 111.696 168.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1871 ' ' TYR . . . . . . . . . . . . . 47.9 p90 -147.26 155.18 41.83 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 125.438 1.495 . . . . 10.0 112.246 175.291 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1872 ' ' GLY . . . . . . . . . . . . . . . 135.85 170.26 12.01 Favored Glycine 0 C--N 1.344 1.003 0 C-N-CA 125.535 1.541 . . . . 10.0 113.162 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1873 ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -69.4 -30.04 24.6 Favored 'Trans proline' 0 CA--C 1.545 1.031 0 C-N-CA 123.199 2.599 . . . . 10.0 113.761 -177.504 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1874 ' ' GLY . . . . . . . . . . . . . . . -66.94 -4.66 28.6 Favored Glycine 0 CA--C 1.539 1.575 0 N-CA-C 115.59 0.996 . . . . 10.0 115.59 177.493 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1875 ' ' LEU . . . . . . . . . . . . . 26.3 mt -93.01 -25.1 18.11 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 118.999 1.399 . . . . 10.0 113.633 171.524 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1876 ' ' THR . . . . . . . . . . . . . 69.5 p -96.82 -38.03 10.02 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 123.929 0.892 . . . . 10.0 111.847 -177.052 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1877 ' ' HIS . . . . . . . . . . . . . 37.1 p-80 -143.96 -179.13 6.29 Favored 'General case' 0 C--O 1.235 0.342 0 C-N-CA 126.017 1.727 . . . . 10.0 112.176 -179.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1878 ' ' GLY . . . . . . . . . . . . . . . -153.55 172.2 32.36 Favored Glycine 0 N--CA 1.47 0.946 0 C-N-CA 125.326 1.441 . . . . 10.0 113.488 177.084 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1879 ' ' VAL . . . . . . . . . . . . . 12.4 p -139.94 143.23 30.51 Favored 'Isoleucine or valine' 0 C--O 1.244 0.778 0 C-N-CA 125.763 1.625 . . . . 10.0 109.958 170.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1880 ' ' VAL . . . . . . . . . . . . . 61.8 t -94.34 142.37 13.52 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 C-N-CA 125.272 1.429 . . . . 10.0 112.811 -169.239 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1881 ' ' ASN . . . . . . . . . . . . . 81.3 m-20 58.52 20.68 7.78 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 127.32 2.248 . . . . 10.0 113.618 -174.3 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1882 ' ' LYS . . . . . 0.41 ' HA ' ' HD3' ' A' 1883 ' ' PRO . 0.5 OUTLIER -142.36 142.03 22.67 Favored Pre-proline 0 CA--C 1.543 0.696 0 C-N-CA 126.148 1.779 . . . . 10.0 110.07 171.711 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A 1883 ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' 1882 ' ' LYS . 66.4 Cg_exo -56.14 146.26 71.67 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 124.233 3.288 . . . . 10.0 115.275 -171.384 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1884 ' ' ALA . . . . . . . . . . . . . . . -128.57 139.07 52.48 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 124.723 1.209 . . . . 10.0 109.811 174.598 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1885 ' ' THR . . . . . . . . . . . . . 23.4 p -145.74 164.3 32.27 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.882 -1.136 . . . . 10.0 112.851 -173.398 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1886 ' ' PHE . . . . . . . . . . . . . 54.5 p90 -154.37 173.78 15.74 Favored 'General case' 0 C--O 1.246 0.874 0 C-N-CA 126.085 1.754 . . . . 10.0 110.916 171.675 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1887 ' ' THR . . . . . . . . . . . . . 29.0 m -118.12 141.8 48.1 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 127.266 2.226 . . . . 10.0 110.203 -172.713 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1888 ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -147.11 71.32 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 128.298 2.639 . . . . 10.0 107.644 -173.288 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1889 ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -67.65 77.23 0.19 Allowed 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 127.575 2.35 . . . . 10.0 113.803 -171.275 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 3.8 p -74.97 11.42 1.1 Allowed 'General case' 0 N--CA 1.475 0.793 1 C-N-CA 131.855 4.062 . . . . 10.0 116.332 -178.16 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1891 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.73 -28.31 0.23 Allowed 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 117.509 2.411 . . . . 10.0 117.509 -174.488 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 21.9 t70 -108.79 -6.41 15.87 Favored 'General case' 0 CA--C 1.556 1.205 0 C-N-CA 126.991 2.116 . . . . 10.0 115.226 -179.331 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1893 ' ' ALA . . . . . . . . . . . . . . . -66.31 -45.47 80.25 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.676 1.19 . . . . 10.0 112.083 -174.098 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 1.677 0 C-N-CA 125.438 1.494 . . . . 10.0 114.409 179.333 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A 1898 ' ' LEU . . . . . . . . . . . . . 5.1 tt . . . . . 0 CA--C 1.546 0.822 0 N-CA-C 107.998 -1.112 . . . . 10.0 107.998 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A 1899 ' ' SER . . . . . . . . . . . . . 49.8 m -131.1 45.57 2.79 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 114.649 1.352 . . . . 10.0 114.649 -167.557 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1900 ' ' LEU . . . . . . . . . . . . . 3.3 pp -60.25 162.95 5.42 Favored 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 115.724 1.749 . . . . 10.0 115.724 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1901 ' ' ALA . . . . . . . . . . . . . . . -143.55 172.28 13.0 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 126.246 1.818 . . . . 10.0 112.665 170.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1902 ' ' ILE . . . . . . . . . . . . . 2.0 mp -125.91 137.31 58.12 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 C-N-CA 126.185 1.794 . . . . 10.0 109.71 172.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1903 ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -121.86 171.72 8.7 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 127.928 2.491 . . . . 10.0 112.09 169.032 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1904 ' ' GLY . . . . . . . . . . . . . . . 165.7 -173.52 41.36 Favored Glycine 0 N--CA 1.492 2.422 0 C-N-CA 124.278 0.942 . . . . 10.0 112.687 -177.362 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1905 ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -68.63 -21.26 39.64 Favored 'Trans proline' 0 CA--C 1.542 0.889 0 C-N-CA 122.899 2.4 . . . . 10.0 111.557 173.5 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1906 ' ' SER . . . . . . . . . . . . . 19.0 t -144.46 -15.66 0.56 Allowed 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 126.423 1.889 . . . . 10.0 113.163 -168.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1907 ' ' LYS . . . . . . . . . . . . . 20.7 ptmt 42.91 -166.74 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 130.44 3.496 . . . . 10.0 115.613 178.495 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1908 ' ' ALA . . . . . . . . . . . . . . . -151.28 165.69 33.24 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.662 1.185 . . . . 10.0 113.084 -176.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1909 ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -84.53 137.4 33.35 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 125.514 1.526 . . . . 10.0 111.898 174.539 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1910 ' ' ILE . . . . . . . . . . . . . 42.0 mm -82.95 135.67 24.35 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 C-N-CA 125.651 1.581 . . . . 10.0 109.926 -178.363 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1911 ' ' SER . . . . . . . . . . . . . 9.7 t -147.4 91.18 1.94 Allowed 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.505 1.122 . . . . 10.0 112.415 170.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1912 ' ' CYS . . . . . . . . . . . . . 17.0 p -65.3 144.36 57.18 Favored 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 125.248 1.419 . . . . 10.0 112.636 173.281 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1913 ' ' THR . . . . . . . . . . . . . 11.1 m -133.04 102.18 5.51 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.646 1.178 . . . . 10.0 110.774 -178.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1914 ' ' ASP . . . . . . . . . . . . . 18.6 t70 -65.84 103.83 0.98 Allowed 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.675 1.19 . . . . 10.0 111.264 172.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1915 ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -102.62 156.27 17.73 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.392 1.477 . . . . 10.0 111.636 178.626 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1916 ' ' GLN . . . . . . . . . . . . . 4.7 pp0? -65.63 -17.9 64.93 Favored 'General case' 0 CA--C 1.552 1.025 0 N-CA-C 116.478 2.029 . . . . 10.0 116.478 -171.559 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1917 ' ' ASP . . . . . . . . . . . . . 17.9 t70 -81.41 -4.18 55.02 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.033 0.933 . . . . 10.0 112.927 173.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1918 ' ' GLY . . . . . . . . . . . . . . . 86.08 53.55 2.96 Favored Glycine 0 CA--C 1.535 1.343 0 C-N-CA 125.022 1.296 . . . . 10.0 112.947 179.541 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1919 ' ' THR . . . . . . . . . . . . . 3.5 t -131.54 146.8 52.4 Favored 'General case' 0 N--CA 1.476 0.873 0 O-C-N 121.851 -0.794 . . . . 10.0 112.058 171.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1920 ' ' CYS . . . . . . . . . . . . . 4.1 t -86.06 0.7 52.78 Favored 'General case' 0 CA--C 1.556 1.191 0 C-N-CA 126.731 2.012 . . . . 10.0 112.622 179.707 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1921 ' ' SER . . . . . . . . . . . . . 43.2 m -3.33 93.55 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 131.048 3.739 . . . . 10.0 117.331 -176.424 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1922 ' ' VAL . . . . . . . . . . . . . 44.4 t -77.33 133.26 31.08 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.634 0 CA-C-O 121.741 0.781 . . . . 10.0 111.715 178.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1923 ' ' SER . . . . . . . . . . . . . 50.2 m -120.27 128.93 53.77 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 127.401 2.28 . . . . 10.0 110.769 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1924 ' ' TYR . . . . . . . . . . . . . 18.9 p90 -139.04 177.51 7.84 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.438 1.495 . . . . 10.0 111.667 179.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1925 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -152.12 87.43 4.29 Favored Pre-proline 0 CA--C 1.557 1.246 0 O-C-N 121.393 -0.817 . . . . 10.0 109.607 -170.157 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1926 ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -68.59 128.4 17.07 Favored 'Trans proline' 0 C--N 1.352 0.713 0 C-N-CA 122.91 2.407 . . . . 10.0 111.02 -174.503 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1927 ' ' VAL . . . . . . . . . . . . . 34.8 m -87.9 -15.75 9.27 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.18 0 C-N-CA 126.315 1.846 . . . . 10.0 112.628 -177.213 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1928 ' ' LEU . . . . . . . . . . . . . 14.0 mt -140.91 163.12 44.68 Favored Pre-proline 0 CA--C 1.545 0.754 0 C-N-CA 125.184 1.394 . . . . 10.0 111.126 172.182 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1929 ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -74.51 167.6 26.75 Favored 'Trans proline' 0 C--N 1.353 0.794 0 C-N-CA 123.157 2.572 . . . . 10.0 112.665 173.479 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1930 ' ' GLY . . . . . . . . . . . . . . . 157.56 -178.14 34.03 Favored Glycine 0 C--N 1.338 0.646 0 CA-C-O 122.696 1.164 . . . . 10.0 115.217 177.372 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1931 ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -96.25 78.78 3.11 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.664 1.585 . . . . 10.0 109.632 173.016 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1932 ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -73.56 156.14 38.42 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.835 0.854 . . . . 10.0 109.707 -177.687 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1933 ' ' SER . . . . . . . . . . . . . 58.5 m -127.52 115.37 18.74 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.48 1.112 . . . . 10.0 110.593 -179.066 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1934 ' ' ILE . . . . . . . . . . . . . 3.5 mm -85.49 99.31 7.3 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.821 0 O-C-N 121.124 -0.985 . . . . 10.0 109.104 173.595 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1935 ' ' LEU . . . . . . . . . . . . . 3.0 mm? -74.5 75.83 1.95 Allowed 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 125.768 1.627 . . . . 10.0 110.287 175.707 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1936 ' ' VAL . . . . . . . . . . . . . 41.0 t -79.21 108.42 12.76 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 O-C-N 120.209 -1.557 . . . . 10.0 111.192 -178.549 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1937 ' ' LYS . . . . . . . . . . . . . 65.1 mttm -101.26 137.07 40.09 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 125.206 1.402 . . . . 10.0 112.359 170.339 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1938 ' ' TYR . . . . . . . . . . . . . 71.9 t80 -131.36 116.81 18.04 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 125.658 1.583 . . . . 10.0 108.945 166.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1939 ' ' ASN . . . . . . . . . . . . . 13.4 t-20 51.95 72.54 0.38 Allowed 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 127.6 2.36 . . . . 10.0 112.748 -168.291 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1940 ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 63.68 -19.86 0.06 Allowed 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 128.556 2.742 . . . . 10.0 118.3 175.518 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1941 ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -120.32 154.72 34.62 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 126.211 1.804 . . . . 10.0 110.174 -175.645 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1942 ' ' HIS . . . . . . . . . . . . . 93.5 m-70 -69.62 147.29 50.87 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 113.517 0.932 . . . . 10.0 113.517 -175.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1943 ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.2 163.47 31.1 Favored Pre-proline 0 N--CA 1.475 0.81 0 C-N-CA 126.788 2.035 . . . . 10.0 111.175 179.507 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1944 ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -56.71 107.8 0.3 Allowed 'Trans proline' 0 N--CA 1.451 -1.012 0 C-N-CA 125.105 3.87 . . . . 10.0 113.025 -176.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1945 ' ' GLY . . . . . . . . . . . . . . . 89.64 0.43 78.95 Favored Glycine 0 CA--C 1.543 1.79 0 N-CA-C 117.007 1.563 . . . . 10.0 117.007 179.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1946 ' ' SER . . . . . . . . . . . . . 1.9 m -72.46 162.76 72.3 Favored Pre-proline 0 CA--C 1.548 0.866 0 CA-C-N 119.253 1.527 . . . . 10.0 114.016 177.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1947 ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -72.48 163.8 87.35 Favored 'Cis proline' 0 C--N 1.357 0.996 0 N-CA-C 114.375 0.875 . . . . 10.0 114.375 -3.259 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1948 ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -97.21 114.36 26.07 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.522 1.129 . . . . 10.0 109.529 176.541 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1949 ' ' THR . . . . . . . . . . . . . 49.8 m -79.39 101.74 8.3 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 124.093 0.957 . . . . 10.0 111.269 175.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1950 ' ' ALA . . . . . . . . . . . . . . . -93.66 107.76 19.59 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 128.073 2.549 . . . . 10.0 111.833 -175.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1951 ' ' ARG . . . . . . . . . . . . . 18.7 ttt85 -78.49 85.25 4.58 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 113.746 1.017 . . . . 10.0 113.746 -179.611 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1952 ' ' VAL . . . . . . . . . . . . . 2.5 t -66.42 104.05 0.57 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.879 0 C-N-CA 128.042 2.537 . . . . 10.0 111.836 173.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1953 ' ' THR . . . . . . . . . . . . . 26.2 m -81.17 132.99 35.38 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 124.896 1.278 . . . . 10.0 111.553 177.103 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1954 ' ' GLY . . . . . . . . . . . . . . . -107.16 157.44 15.55 Favored Glycine 0 CA--C 1.535 1.34 0 C-N-CA 124.96 1.266 . . . . 10.0 116.148 -170.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1955 ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -83.49 -20.48 33.88 Favored 'General case' 0 CA--C 1.563 1.455 0 N-CA-C 114.831 1.419 . . . . 10.0 114.831 172.122 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1956 ' ' ASP . . . . . . . . . . . . . 37.3 t70 . . . . . 0 C--O 1.256 1.43 0 C-N-CA 126.378 1.871 . . . . 10.0 113.826 178.78 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A 1868 ' ' VAL . . . . . 0.512 HG23 ' HA ' ' A' 1890 ' ' THR . 3.5 p . . . . . 0 N--CA 1.478 0.963 0 N-CA-C 108.169 -1.049 . . . . 10.0 108.169 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1869 ' ' THR . . . . . . . . . . . . . 77.9 p -148.44 172.51 14.33 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 125.213 1.405 . . . . 10.0 113.225 -166.073 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1870 ' ' ALA . . . . . 0.417 ' HB2' HG12 ' A' 1888 ' ' VAL . . . -130.97 141.78 50.29 Favored 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 127.408 2.283 . . . . 10.0 110.671 173.103 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1871 ' ' TYR . . . . . . . . . . . . . 49.4 p90 -152.73 158.79 42.83 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.592 1.157 . . . . 10.0 113.161 176.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1872 ' ' GLY . . . . . . . . . . . . . . . 136.57 169.9 11.83 Favored Glycine 0 CA--C 1.536 1.388 0 C-N-CA 126.234 1.873 . . . . 10.0 114.158 171.654 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1873 ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -72.13 -26.38 18.11 Favored 'Trans proline' 0 C--N 1.352 0.754 0 C-N-CA 124.058 3.172 . . . . 10.0 113.564 -174.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1874 ' ' GLY . . . . . . . . . . . . . . . -66.79 -6.17 35.36 Favored Glycine 0 CA--C 1.534 1.259 0 CA-C-O 118.709 -1.051 . . . . 10.0 114.313 173.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1875 ' ' LEU . . . . . . . . . . . . . 41.0 mt -90.59 -9.62 46.41 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-N 119.059 1.429 . . . . 10.0 113.744 172.398 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1876 ' ' THR . . . . . . . . . . . . . 45.1 p -109.74 -31.54 7.41 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 114.26 1.207 . . . . 10.0 114.26 179.202 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1877 ' ' HIS . . . . . . . . . . . . . 41.7 p-80 -146.99 173.63 12.26 Favored 'General case' 0 N--CA 1.475 0.789 0 O-C-N 120.335 -1.478 . . . . 10.0 112.612 179.351 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1878 ' ' GLY . . . . . . . . . . . . . . . -151.79 170.73 31.25 Favored Glycine 0 CA--C 1.545 1.915 0 C-N-CA 124.541 1.067 . . . . 10.0 114.536 177.131 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1879 ' ' VAL . . . . . . . . . . . . . 25.8 t -134.04 107.65 10.21 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 C-N-CA 124.716 1.206 . . . . 10.0 110.717 179.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1880 ' ' VAL . . . . . 0.408 HG23 HG12 ' A' 1952 ' ' VAL . 91.2 t -50.99 123.35 2.64 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.052 0 C-N-CA 124.533 1.133 . . . . 10.0 110.755 -178.273 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1881 ' ' ASN . . . . . . . . . . . . . 82.0 m-20 72.75 9.6 5.56 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 128.947 2.899 . . . . 10.0 115.77 -178.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1882 ' ' LYS . . . . . 0.405 ' HA ' ' HD3' ' A' 1883 ' ' PRO . 10.1 tppt? -116.05 135.0 22.69 Favored Pre-proline 0 CA--C 1.552 1.048 0 C-N-CA 124.565 1.146 . . . . 10.0 110.346 170.346 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1883 ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' 1882 ' ' LYS . 50.6 Cg_exo -54.95 126.63 23.21 Favored 'Trans proline' 0 N--CA 1.463 -0.292 0 C-N-CA 123.922 3.082 . . . . 10.0 113.267 -177.542 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1884 ' ' ALA . . . . . . . . . . . . . . . -106.12 146.72 29.83 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.674 1.19 . . . . 10.0 110.951 174.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1885 ' ' THR . . . . . . . . . . . . . 34.0 p -145.76 159.12 43.63 Favored 'General case' 0 N--CA 1.48 1.065 0 N-CA-C 113.413 0.894 . . . . 10.0 113.413 -173.129 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1886 ' ' PHE . . . . . . . . . . . . . 52.7 p90 -155.68 175.4 13.97 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 125.795 1.638 . . . . 10.0 112.067 168.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1887 ' ' THR . . . . . . . . . . . . . 89.1 m -117.38 140.88 49.0 Favored 'General case' 0 N--CA 1.472 0.631 0 O-C-N 120.634 -1.291 . . . . 10.0 110.198 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1888 ' ' VAL . . . . . 0.456 HG23 ' HB3' ' A' 1920 ' ' CYS . 2.6 m -118.64 156.26 20.59 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 C-N-CA 125.125 1.37 . . . . 10.0 108.585 166.34 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1889 ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -143.34 108.97 5.11 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 125.408 1.483 . . . . 10.0 110.244 -173.598 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1890 ' ' THR . . . . . 0.512 ' HA ' HG23 ' A' 1868 ' ' VAL . 77.0 p -87.17 -13.81 42.95 Favored 'General case' 0 N--CA 1.483 1.191 0 N-CA-C 116.182 1.919 . . . . 10.0 116.182 -178.669 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1891 ' ' LYS . . . . . . . . . . . . . 90.0 mttt 46.87 -90.49 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 128.063 2.545 . . . . 10.0 113.306 -170.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 29.4 t70 -88.17 -68.12 0.78 Allowed 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.949 0.9 . . . . 10.0 111.892 173.147 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1893 ' ' ALA . . . . . . . . . . . . . . . 53.91 -32.12 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 131.637 3.975 . . . . 10.0 119.059 -175.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.319 0 CA-C-N 120.797 1.635 . . . . 10.0 112.432 -174.029 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A 1898 ' ' LEU . . . . . . . . . . . . . 2.6 tm? . . . . . 0 CA--C 1.54 0.564 0 N-CA-C 108.97 -0.752 . . . . 10.0 108.97 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A 1899 ' ' SER . . . . . . . . . . . . . 23.3 t -135.02 148.95 50.08 Favored 'General case' 0 C--O 1.221 -0.445 0 C-N-CA 126.295 1.838 . . . . 10.0 110.45 -179.141 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1900 ' ' LEU . . . . . . . . . . . . . 4.0 pp -150.96 166.41 30.73 Favored 'General case' 0 C--O 1.243 0.76 0 N-CA-C 114.708 1.373 . . . . 10.0 114.708 -178.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1901 ' ' ALA . . . . . . . . . . . . . . . -145.13 170.11 16.85 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.546 1.138 . . . . 10.0 111.264 169.276 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1902 ' ' ILE . . . . . . . . . . . . . 1.2 mp -115.53 119.98 63.4 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 C-N-CA 125.242 1.417 . . . . 10.0 108.734 172.503 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1903 ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -105.55 175.21 5.57 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 126.404 1.882 . . . . 10.0 110.575 171.111 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1904 ' ' GLY . . . . . . . . . . . . . . . 148.9 -156.27 26.75 Favored Glycine 0 N--CA 1.476 1.362 0 C-N-CA 124.932 1.253 . . . . 10.0 112.326 -173.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1905 ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -72.95 -15.99 26.0 Favored 'Trans proline' 0 C--N 1.352 0.759 0 CA-C-N 120.081 1.941 . . . . 10.0 112.49 167.443 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1906 ' ' SER . . . . . . . . . . . . . 12.0 t -151.16 167.18 28.56 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 128.669 2.788 . . . . 10.0 110.476 -168.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1907 ' ' LYS . . . . . . . . . . . . . 30.1 mtpp -131.67 173.84 10.73 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 126.686 1.994 . . . . 10.0 111.883 -176.052 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1908 ' ' ALA . . . . . . . . . . . . . . . -139.51 165.04 28.3 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.093 1.357 . . . . 10.0 112.881 -177.411 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1909 ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -70.29 132.02 45.06 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 124.926 1.29 . . . . 10.0 110.057 168.428 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1910 ' ' ILE . . . . . . . . . . . . . 45.0 mm -111.92 120.18 61.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 O-C-N 121.532 -0.73 . . . . 10.0 109.797 -174.408 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1911 ' ' SER . . . . . . . . . . . . . 69.7 m -127.51 149.96 49.9 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 125.938 1.695 . . . . 10.0 110.467 174.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1912 ' ' CYS . . . . . . . . . . . . . 31.8 p -141.42 158.32 44.02 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 126.308 1.843 . . . . 10.0 111.075 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1913 ' ' THR . . . . . . . . . . . . . 34.4 m -143.31 103.67 4.15 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.393 1.077 . . . . 10.0 110.248 -174.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1914 ' ' ASP . . . . . . . . . . . . . 23.0 t70 -73.46 99.83 3.09 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 125.832 1.653 . . . . 10.0 112.604 174.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1915 ' ' ASN . . . . . . . . . . . . . 44.0 m-20 -81.32 -178.16 6.8 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 126.213 1.805 . . . . 10.0 113.933 -178.25 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1916 ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -56.35 -38.19 71.05 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 126.505 1.922 . . . . 10.0 113.641 -179.627 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1917 ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -94.37 3.67 54.88 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.631 1.173 . . . . 10.0 113.498 -172.545 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1918 ' ' GLY . . . . . . . . . . . . . . . 86.47 2.7 84.84 Favored Glycine 0 CA--C 1.538 1.502 0 C-N-CA 124.596 1.093 . . . . 10.0 114.706 -175.685 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1919 ' ' THR . . . . . . . . . . . . . 15.5 p -66.57 141.89 57.69 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 120.942 -1.328 . . . . 10.0 109.988 167.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1920 ' ' CYS . . . . . 0.456 ' HB3' HG23 ' A' 1888 ' ' VAL . 0.5 OUTLIER -114.26 9.93 17.11 Favored 'General case' 0 CA--C 1.552 1.031 0 N-CA-C 114.575 1.324 . . . . 10.0 114.575 -170.479 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A 1921 ' ' SER . . . . . . . . . . . . . 67.0 m 17.94 95.56 0.0 OUTLIER 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 130.867 3.667 . . . . 10.0 116.851 172.006 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1922 ' ' VAL . . . . . . . . . . . . . 78.6 t -93.39 138.62 19.86 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 C-N-CA 124.496 1.118 . . . . 10.0 110.594 -175.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1923 ' ' SER . . . . . . . . . . . . . 70.1 m -131.49 135.52 47.16 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 127.157 2.183 . . . . 10.0 109.867 177.23 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1924 ' ' TYR . . . . . . . . . . . . . 17.1 p90 -145.29 176.69 9.36 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 126.495 1.918 . . . . 10.0 112.118 178.514 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1925 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -140.83 99.34 6.79 Favored Pre-proline 0 N--CA 1.477 0.915 0 C-N-CA 123.392 0.677 . . . . 10.0 110.54 -176.44 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1926 ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -66.15 145.14 77.86 Favored 'Trans proline' 0 C--N 1.354 0.844 0 C-N-CA 122.706 2.271 . . . . 10.0 111.722 172.675 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1927 ' ' VAL . . . . . . . . . . . . . 34.7 m -130.43 -2.27 2.45 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.094 0 C-N-CA 124.214 1.006 . . . . 10.0 113.683 -175.064 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1928 ' ' LEU . . . . . . . . . . . . . 3.2 tt -155.36 133.98 7.28 Favored Pre-proline 0 CA--C 1.552 1.044 0 C-N-CA 124.656 1.182 . . . . 10.0 110.491 178.364 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1929 ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -69.93 142.28 46.78 Favored 'Trans proline' 0 C--N 1.35 0.629 0 C-N-CA 121.936 1.757 . . . . 10.0 112.726 -173.299 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1930 ' ' GLY . . . . . . . . . . . . . . . 167.98 178.02 39.63 Favored Glycine 0 CA--C 1.535 1.337 0 N-CA-C 116.441 1.337 . . . . 10.0 116.441 -173.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1931 ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -81.24 85.01 6.44 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.613 1.965 . . . . 10.0 110.431 173.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1932 ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -72.06 98.39 2.08 Favored 'General case' 0 C--O 1.241 0.631 0 C-N-CA 124.516 1.126 . . . . 10.0 110.899 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1933 ' ' SER . . . . . . . . . . . . . 74.9 m -75.91 105.15 6.79 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.071 1.348 . . . . 10.0 111.47 176.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1934 ' ' ILE . . . . . . . . . . . . . 2.3 mm -76.3 105.97 5.72 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.692 0 C-N-CA 122.956 0.503 . . . . 10.0 109.78 173.059 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1935 ' ' LEU . . . . . . . . . . . . . 4.4 mm? -96.72 107.25 19.67 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.743 1.217 . . . . 10.0 109.907 179.108 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1936 ' ' VAL . . . . . . . . . . . . . 17.7 t -107.8 136.84 41.84 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.305 0 C-N-CA 123.294 0.637 . . . . 10.0 112.043 178.318 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1937 ' ' LYS . . . . . . . . . . . . . 97.3 mttt -126.59 149.61 49.35 Favored 'General case' 0 C--N 1.346 0.44 0 C-N-CA 126.826 2.05 . . . . 10.0 112.728 175.519 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1938 ' ' TYR . . . . . . . . . . . . . 69.1 t80 -139.69 108.2 5.87 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 126.815 2.046 . . . . 10.0 109.755 174.705 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1939 ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 52.25 72.25 0.41 Allowed 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 126.133 1.773 . . . . 10.0 113.759 -175.091 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1940 ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 63.01 3.3 1.21 Allowed 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 116.572 2.064 . . . . 10.0 116.572 171.124 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1941 ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -130.52 160.13 35.05 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 126.734 2.013 . . . . 10.0 111.814 170.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1942 ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -71.19 155.49 40.67 Favored 'General case' 0 CA--C 1.553 1.066 0 CA-C-O 122.137 0.97 . . . . 10.0 113.499 177.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1943 ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -71.63 164.72 55.63 Favored Pre-proline 0 CA--C 1.546 0.812 0 C-N-CA 125.094 1.357 . . . . 10.0 112.69 -176.075 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1944 ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -59.86 -7.92 6.87 Favored 'Trans proline' 0 CA--C 1.538 0.703 1 C-N-CA 126.0 4.467 . . . . 10.0 118.143 -170.4 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1945 ' ' GLY . . . . . . . . . . . . . . . -141.47 5.38 2.35 Favored Glycine 0 CA--C 1.537 1.436 0 C-N-CA 126.756 2.122 . . . . 10.0 115.085 -177.087 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1946 ' ' SER . . . . . . . . . . . . . 4.6 m -68.64 154.41 94.62 Favored Pre-proline 0 CA--C 1.564 1.514 0 CA-C-N 118.927 1.363 . . . . 10.0 113.42 -179.085 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1947 ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -74.17 162.08 93.09 Favored 'Cis proline' 0 CA--C 1.546 1.101 0 CA-C-N 118.676 0.563 . . . . 10.0 111.729 -15.509 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1948 ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -96.66 -16.99 20.67 Favored 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 114.534 1.309 . . . . 10.0 114.534 -179.133 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1949 ' ' THR . . . . . . . . . . . . . 13.4 m 39.09 83.17 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.592 0 C-N-CA 128.85 2.86 . . . . 10.0 115.843 171.236 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1950 ' ' ALA . . . . . . . . . . . . . . . -76.78 170.43 16.48 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 125.56 1.544 . . . . 10.0 111.843 170.114 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1951 ' ' ARG . . . . . . . . . . . . . 52.5 ttt85 -138.08 94.4 2.88 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 113.836 1.05 . . . . 10.0 113.836 171.498 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1952 ' ' VAL . . . . . 0.408 HG12 HG23 ' A' 1880 ' ' VAL . 2.7 t -60.27 134.01 25.66 Favored 'Isoleucine or valine' 0 C--O 1.24 0.562 0 C-N-CA 128.223 2.609 . . . . 10.0 112.586 171.322 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1953 ' ' THR . . . . . . . . . . . . . 15.4 t -119.66 150.82 39.72 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 125.613 1.565 . . . . 10.0 111.523 175.618 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1954 ' ' GLY . . . . . . . . . . . . . . . -86.49 116.22 4.38 Favored Glycine 0 CA--C 1.538 1.491 0 C-N-CA 125.645 1.593 . . . . 10.0 115.595 -169.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1955 ' ' ASP . . . . . . . . . . . . . 35.5 t70 -74.08 -13.94 60.91 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 125.162 1.385 . . . . 10.0 114.224 173.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1956 ' ' ASP . . . . . . . . . . . . . 37.7 t70 . . . . . 0 C--O 1.253 1.26 0 C-N-CA 126.66 1.984 . . . . 10.0 113.611 177.027 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A 1868 ' ' VAL . . . . . . . . . . . . . 10.8 p . . . . . 0 CA--C 1.533 0.298 0 CA-C-O 123.017 1.389 . . . . 10.0 111.381 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A 1869 ' ' THR . . . . . . . . . . . . . 3.5 m -148.42 165.74 30.22 Favored 'General case' 0 C--N 1.319 -0.747 0 C-N-CA 128.019 2.528 . . . . 10.0 108.099 -175.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1870 ' ' ALA . . . . . . . . . . . . . . . -114.93 142.34 46.73 Favored 'General case' 0 CA--C 1.541 0.596 0 CA-C-N 118.905 0.775 . . . . 10.0 111.347 173.202 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1871 ' ' TYR . . . . . . . . . . . . . 33.1 p90 -156.84 168.7 26.66 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.554 1.542 . . . . 10.0 111.037 -178.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1872 ' ' GLY . . . . . . . . . . . . . . . 126.49 179.26 15.68 Favored Glycine 0 N--CA 1.481 1.677 0 O-C-N 120.703 -1.248 . . . . 10.0 114.007 172.368 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1873 ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -54.46 -46.0 36.72 Favored 'Trans proline' 0 CA--C 1.539 0.761 0 C-N-CA 124.334 3.356 . . . . 10.0 113.096 -177.158 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1874 ' ' GLY . . . . . . . . . . . . . . . -60.83 -19.64 56.02 Favored Glycine 0 CA--C 1.539 1.586 0 C-N-CA 125.602 1.573 . . . . 10.0 115.246 -174.669 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1875 ' ' LEU . . . . . . . . . . . . . 13.4 mt -90.4 -21.62 21.86 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 119.968 1.884 . . . . 10.0 113.286 171.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1876 ' ' THR . . . . . . . . . . . . . 86.3 m -80.8 -48.3 12.66 Favored 'General case' 0 N--CA 1.482 1.155 0 O-C-N 121.546 -0.721 . . . . 10.0 110.663 174.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1877 ' ' HIS . . . . . . . . . . . . . 5.1 p80 -148.14 164.14 34.81 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 125.436 1.494 . . . . 10.0 111.048 178.314 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1878 ' ' GLY . . . . . . . . . . . . . . . -129.06 174.62 19.12 Favored Glycine 0 CA--C 1.534 1.234 0 C-N-CA 126.414 1.959 . . . . 10.0 112.902 178.148 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1879 ' ' VAL . . . . . . . . . . . . . 8.0 p -136.31 137.89 47.6 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 124.945 1.298 . . . . 10.0 111.029 169.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1880 ' ' VAL . . . . . 0.508 HG23 HG12 ' A' 1952 ' ' VAL . 54.1 t -84.47 141.03 15.22 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.315 0 C-N-CA 126.378 1.871 . . . . 10.0 112.382 -171.163 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1881 ' ' ASN . . . . . . . . . . . . . 70.6 m-80 53.38 18.6 1.36 Allowed 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 126.588 1.955 . . . . 10.0 116.075 -177.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1882 ' ' LYS . . . . . 0.408 ' HA ' ' HD3' ' A' 1883 ' ' PRO . 20.1 tptm -136.31 143.21 42.66 Favored Pre-proline 0 N--CA 1.485 1.276 0 C-N-CA 125.553 1.541 . . . . 10.0 109.75 170.49 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1883 ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' 1882 ' ' LYS . 75.9 Cg_exo -56.63 134.56 65.18 Favored 'Trans proline' 0 C--O 1.243 0.747 0 C-N-CA 123.932 3.088 . . . . 10.0 112.08 -177.033 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1884 ' ' ALA . . . . . . . . . . . . . . . -120.69 161.25 21.73 Favored 'General case' 0 C--O 1.243 0.738 0 C-N-CA 125.271 1.428 . . . . 10.0 109.854 174.676 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1885 ' ' THR . . . . . . . . . . . . . 29.5 p -148.23 153.34 38.6 Favored 'General case' 0 N--CA 1.485 1.322 0 N-CA-C 114.338 1.236 . . . . 10.0 114.338 -169.083 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1886 ' ' PHE . . . . . . . . . . . . . 45.5 p90 -148.21 168.35 22.71 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.189 0.996 . . . . 10.0 111.249 168.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1887 ' ' THR . . . . . . . . . . . . . 95.5 m -104.23 141.26 36.59 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 124.604 1.162 . . . . 10.0 111.44 -173.375 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1888 ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -126.57 148.12 31.36 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 C-N-CA 125.942 1.697 . . . . 10.0 107.335 169.054 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1889 ' ' ASN . . . . . . . . . . . . . 42.4 t30 -122.79 63.11 0.98 Allowed 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 113.741 -1.572 . . . . 10.0 113.256 -165.255 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 22.1 p -68.67 1.62 3.08 Favored 'General case' 0 N--CA 1.478 0.933 0 N-CA-C 115.054 1.502 . . . . 10.0 115.054 175.333 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1891 ' ' LYS . . . . . . . . . . . . . 74.8 mttt -50.05 -51.05 45.47 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 127.542 2.337 . . . . 10.0 112.489 176.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 32.8 t70 -78.14 -28.07 48.34 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.185 1.394 . . . . 10.0 114.099 179.582 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1893 ' ' ALA . . . . . . . . . . . . . . . -69.09 -31.84 70.85 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.214 1.406 . . . . 10.0 112.415 172.503 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 1.776 0 C-N-CA 125.753 1.644 . . . . 10.0 114.724 173.554 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A 1898 ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.545 0.787 0 N-CA-C 113.124 0.787 . . . . 10.0 113.124 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1899 ' ' SER . . . . . . . . . . . . . 74.5 m -141.58 148.37 39.18 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.642 0.777 . . . . 10.0 109.83 175.355 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1900 ' ' LEU . . . . . . . . . . . . . 4.0 pp -153.2 172.33 17.12 Favored 'General case' 0 C--O 1.237 0.405 0 O-C-N 120.793 -1.192 . . . . 10.0 114.212 170.167 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1901 ' ' ALA . . . . . . . . . . . . . . . -143.31 164.6 29.78 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 125.402 1.481 . . . . 10.0 111.274 168.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1902 ' ' ILE . . . . . . . . . . . . . 2.2 mp -121.11 116.8 50.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 124.907 1.283 . . . . 10.0 108.939 170.343 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1903 ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -100.09 175.45 5.74 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 126.963 2.105 . . . . 10.0 110.426 170.244 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1904 ' ' GLY . . . . . . . . . . . . . . . 155.85 -165.63 32.68 Favored Glycine 0 CA--C 1.535 1.329 0 C-N-CA 124.155 0.884 . . . . 10.0 113.639 -170.066 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1905 ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -73.63 -19.99 20.83 Favored 'Trans proline' 0 CA--C 1.556 1.588 0 C-N-CA 124.131 3.221 . . . . 10.0 110.614 170.396 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1906 ' ' SER . . . . . . . . . . . . . 9.0 t -151.57 -178.68 6.83 Favored 'General case' 0 C--O 1.239 0.536 0 C-N-CA 128.124 2.57 . . . . 10.0 110.544 -166.724 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1907 ' ' LYS . . . . . . . . . . . . . 68.6 mttm -103.77 167.86 9.51 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 126.568 1.947 . . . . 10.0 113.099 -174.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1908 ' ' ALA . . . . . 0.48 ' HB1' ' H ' ' A' 1925 ' ' LEU . . . -143.0 159.16 42.77 Favored 'General case' 0 CA--C 1.557 1.235 0 C-N-CA 125.017 1.327 . . . . 10.0 111.687 175.311 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1909 ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -87.8 83.7 7.11 Favored 'General case' 0 N--CA 1.48 1.033 0 O-C-N 120.852 -1.155 . . . . 10.0 111.718 176.487 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1910 ' ' ILE . . . . . . . . . . . . . 15.3 mt -69.11 133.1 32.42 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.334 0 O-C-N 121.145 -0.972 . . . . 10.0 110.779 -178.297 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1911 ' ' SER . . . . . . . . . . . . . 7.4 t -146.6 170.63 16.52 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.633 1.573 . . . . 10.0 112.138 168.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1912 ' ' CYS . . . . . . . . . . . . . 27.4 p -138.17 160.24 39.93 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 125.85 1.66 . . . . 10.0 113.135 177.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1913 ' ' THR . . . . . . . . . . . . . 30.9 m -146.92 113.6 6.04 Favored 'General case' 0 N--CA 1.47 0.534 0 O-C-N 121.85 -0.531 . . . . 10.0 110.408 -171.609 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1914 ' ' ASP . . . . . . . . . . . . . 32.7 t70 -69.85 132.58 46.25 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.212 1.405 . . . . 10.0 109.247 167.668 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1915 ' ' ASN . . . . . . . . . . . . . 71.5 m-80 -130.97 167.06 19.65 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 125.069 1.347 . . . . 10.0 112.513 -176.241 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1916 ' ' GLN . . . . . . . . . . . . . 43.4 tt0 -59.74 -30.34 68.76 Favored 'General case' 0 CA--C 1.557 1.243 0 C-N-CA 125.285 1.434 . . . . 10.0 113.399 174.209 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1917 ' ' ASP . . . . . . . . . . . . . 35.0 t70 -75.34 -14.82 60.51 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.846 1.258 . . . . 10.0 111.893 178.317 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1918 ' ' GLY . . . . . . . . . . . . . . . 95.32 2.03 62.22 Favored Glycine 0 CA--C 1.547 2.036 0 C-N-CA 125.834 1.683 . . . . 10.0 115.022 174.355 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1919 ' ' THR . . . . . . . . . . . . . 81.1 p -70.12 166.03 20.75 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 125.916 1.686 . . . . 10.0 112.6 174.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1920 ' ' CYS . . . . . . . . . . . . . 1.1 t -106.26 6.82 31.02 Favored 'General case' 0 CA--C 1.558 1.263 0 C-N-CA 124.999 1.32 . . . . 10.0 112.689 170.038 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1921 ' ' SER . . . . . . . . . . . . . 7.1 t 14.57 92.86 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.233 1 C-N-CA 132.726 4.41 . . . . 10.0 115.993 175.613 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1922 ' ' VAL . . . . . . . . . . . . . 41.0 t -88.84 136.2 23.96 Favored 'Isoleucine or valine' 0 C--O 1.243 0.759 0 CA-C-O 122.467 1.127 . . . . 10.0 111.097 -176.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1923 ' ' SER . . . . . . . . . . . . . 62.8 p -116.17 154.69 29.59 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 126.635 1.974 . . . . 10.0 111.418 172.189 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1924 ' ' TYR . . . . . . . . . . . . . 14.1 p90 -148.92 169.28 20.92 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 126.915 2.086 . . . . 10.0 110.53 176.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1925 ' ' LEU . . . . . 0.48 ' H ' ' HB1' ' A' 1908 ' ' ALA . 0.3 OUTLIER -151.2 82.7 5.75 Favored Pre-proline 0 CA--C 1.56 1.335 0 O-C-N 120.671 -1.268 . . . . 10.0 110.216 -171.695 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A 1926 ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -73.12 122.99 8.5 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 123.737 2.958 . . . . 10.0 111.203 -176.276 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1927 ' ' VAL . . . . . . . . . . . . . 27.1 m -78.38 -14.65 13.88 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.146 0 O-C-N 121.026 -1.047 . . . . 10.0 113.736 -177.546 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1928 ' ' LEU . . . . . . . . . . . . . 20.0 mt -145.58 160.65 43.95 Favored Pre-proline 0 CA--C 1.539 0.54 0 C-N-CA 125.485 1.514 . . . . 10.0 112.074 177.437 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1929 ' ' PRO . . . . . . . . . . . . . 27.5 Cg_exo -58.98 154.42 44.98 Favored 'Trans proline' 0 C--N 1.354 0.824 0 C-N-CA 123.224 2.616 . . . . 10.0 113.36 172.117 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1930 ' ' GLY . . . . . . . . . . . . . . . 165.43 178.09 38.27 Favored Glycine 0 CA--C 1.534 1.276 0 N-CA-C 117.074 1.59 . . . . 10.0 117.074 176.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1931 ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -99.61 93.12 5.68 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 124.858 1.263 . . . . 10.0 108.54 171.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1932 ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -93.3 106.09 18.09 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.48 1.112 . . . . 10.0 111.677 -170.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1933 ' ' SER . . . . . . . . . . . . . 75.7 m -73.66 106.72 5.54 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.299 1.04 . . . . 10.0 111.02 179.037 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1934 ' ' ILE . . . . . . . . . . . . . 3.2 mm -79.05 119.4 28.23 Favored 'Isoleucine or valine' 0 C--O 1.244 0.81 0 N-CA-C 107.986 -1.116 . . . . 10.0 107.986 169.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1935 ' ' LEU . . . . . . . . . . . . . 4.5 mm? -107.87 90.82 3.42 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 126.36 1.864 . . . . 10.0 108.529 -178.163 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1936 ' ' VAL . . . . . . . . . . . . . 15.2 t -93.64 139.45 18.25 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.331 0 C-N-CA 124.571 1.148 . . . . 10.0 110.18 -179.321 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1937 ' ' LYS . . . . . . . . . . . . . 99.0 mttt -131.0 153.34 49.34 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 127.583 2.353 . . . . 10.0 113.087 179.52 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1938 ' ' TYR . . . . . . . . . . . . . 7.1 t80 -143.32 120.89 11.75 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 124.321 1.048 . . . . 10.0 109.36 165.173 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1939 ' ' ASN . . . . . . . . . . . . . 6.8 t30 48.26 78.81 0.08 Allowed 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 127.713 2.405 . . . . 10.0 112.976 -172.547 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1940 ' ' GLU . . . . . . . . . . . . 0.306 10.1 pt-20 52.64 8.99 0.1 Allowed 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 129.438 3.095 . . . . 10.0 118.773 173.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1941 ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -132.82 159.37 40.0 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.115 1.366 . . . . 10.0 112.373 169.587 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1942 ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -69.66 155.69 40.12 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-O 121.914 0.864 . . . . 10.0 112.812 176.326 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1943 ' ' VAL . . . . . 0.411 HG13 ' H ' ' A' 1945 ' ' GLY . 0.5 OUTLIER -75.45 165.54 52.75 Favored Pre-proline 0 CA--C 1.545 0.758 0 CA-C-N 114.739 -1.119 . . . . 10.0 112.801 -179.832 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A 1944 ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -63.9 -26.13 67.08 Favored 'Trans proline' 0 CA--C 1.533 0.449 0 C-N-CA 125.193 3.929 . . . . 10.0 116.167 -174.605 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1945 ' ' GLY . . . . . 0.411 ' H ' HG13 ' A' 1943 ' ' VAL . . . -95.95 -15.99 40.27 Favored Glycine 0 CA--C 1.542 1.733 0 C-N-CA 125.671 1.605 . . . . 10.0 114.166 179.753 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1946 ' ' SER . . . . . . . . . . . . . 38.6 m -72.08 152.49 92.7 Favored Pre-proline 0 C--O 1.245 0.851 0 C-N-CA 126.053 1.741 . . . . 10.0 112.921 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1947 ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -73.19 157.28 99.22 Favored 'Cis proline' 0 C--N 1.356 0.959 0 CA-C-N 119.152 0.733 . . . . 10.0 112.668 -14.408 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1948 ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -101.72 -15.01 17.12 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 115.629 1.715 . . . . 10.0 115.629 -170.548 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1949 ' ' THR . . . . . . . . . . . . . 15.5 m 27.73 80.37 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.605 0 C-N-CA 128.895 2.878 . . . . 10.0 114.935 -177.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1950 ' ' ALA . . . . . . . . . . . . . . . -72.54 162.23 29.75 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.706 1.202 . . . . 10.0 112.79 179.236 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1951 ' ' ARG . . . . . . . . . . . . . 18.2 ttt-85 -127.64 85.63 2.38 Favored 'General case' 0 N--CA 1.481 1.089 0 CA-C-O 123.328 1.537 . . . . 10.0 113.532 -174.517 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1952 ' ' VAL . . . . . 0.508 HG12 HG23 ' A' 1880 ' ' VAL . 2.9 t -70.19 109.6 2.85 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 C-N-CA 127.795 2.438 . . . . 10.0 112.209 179.375 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1953 ' ' THR . . . . . . . . . . . . . 93.9 m -78.94 133.39 36.91 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.518 1.527 . . . . 10.0 111.747 174.609 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1954 ' ' GLY . . . . . . . . . . . . . . . -78.16 76.52 1.78 Allowed Glycine 0 CA--C 1.528 0.88 0 C-N-CA 125.335 1.445 . . . . 10.0 112.282 174.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1955 ' ' ASP . . . . . . . . . . . . . 27.7 t70 -77.48 -25.54 50.55 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 113.357 0.873 . . . . 10.0 113.357 178.143 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1956 ' ' ASP . . . . . . . . . . . . . 33.9 t70 . . . . . 0 C--O 1.261 1.705 0 C-N-CA 126.987 2.115 . . . . 10.0 114.602 177.133 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A 1868 ' ' VAL . . . . . . . . . . . . . 6.4 p . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 120.648 0.261 . . . . 10.0 110.863 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A 1869 ' ' THR . . . . . . . . . . . . . 42.4 p -144.29 172.52 12.81 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 125.326 1.451 . . . . 10.0 111.163 -178.193 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1870 ' ' ALA . . . . . . . . . . . . . . . -130.29 120.56 24.58 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.383 1.073 . . . . 10.0 109.562 170.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1871 ' ' TYR . . . . . . . . . . . . . 48.0 p90 -148.29 156.46 42.56 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 125.081 1.352 . . . . 10.0 112.423 -177.524 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1872 ' ' GLY . . . . . . . . . . . . . . . 136.38 175.46 13.82 Favored Glycine 0 CA--C 1.54 1.625 0 C-N-CA 125.547 1.546 . . . . 10.0 114.498 174.117 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1873 ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -65.4 -27.48 54.88 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 123.65 2.9 . . . . 10.0 113.22 -177.068 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1874 ' ' GLY . . . . . . . . . . . . . . . -69.22 -4.47 43.57 Favored Glycine 0 CA--C 1.549 2.169 0 N-CA-C 115.633 1.013 . . . . 10.0 115.633 177.124 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1875 ' ' LEU . . . . . . . . . . . . . 18.5 mt -103.43 -7.1 21.23 Favored 'General case' 0 CA--C 1.556 1.19 0 CA-C-N 119.742 1.771 . . . . 10.0 113.036 171.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1876 ' ' THR . . . . . . . . . . . . . 68.7 p -111.86 -41.12 4.08 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.267 1.027 . . . . 10.0 112.208 -176.487 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1877 ' ' HIS . . . . . . . . . . . . . 43.3 p-80 -143.27 -176.94 5.13 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 126.931 2.092 . . . . 10.0 112.042 178.498 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1878 ' ' GLY . . . . . . . . . . . . . . . -154.16 169.68 32.64 Favored Glycine 0 CA--C 1.537 1.468 0 C-N-CA 124.063 0.839 . . . . 10.0 113.468 170.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1879 ' ' VAL . . . . . . . . . . . . . 6.2 t -120.59 104.74 15.8 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.36 0 C-N-CA 125.692 1.597 . . . . 10.0 108.841 -178.072 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1880 ' ' VAL . . . . . . . . . . . . . 72.8 t -57.18 122.1 5.88 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 C-N-CA 123.632 0.773 . . . . 10.0 112.093 -178.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1881 ' ' ASN . . . . . . . . . . . . 0.253 64.7 m-80 67.78 11.23 8.27 Favored 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 127.826 2.45 . . . . 10.0 116.478 -177.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1882 ' ' LYS . . . . . . . . . . . . . 47.7 mtmt -128.74 151.58 77.4 Favored Pre-proline 0 CA--C 1.541 0.596 0 C-N-CA 124.576 1.151 . . . . 10.0 112.413 167.523 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1883 ' ' PRO . . . . . . . . . . . . . 39.8 Cg_exo -64.15 153.43 76.36 Favored 'Trans proline' 0 CA--C 1.544 0.977 0 C-N-CA 123.566 2.844 . . . . 10.0 111.698 -166.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1884 ' ' ALA . . . . . . . . . . . . . . . -141.75 156.75 45.58 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.458 1.103 . . . . 10.0 111.213 175.049 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1885 ' ' THR . . . . . . . . . . . . . 46.1 p -146.81 159.56 43.36 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.923 1.289 . . . . 10.0 112.521 -171.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1886 ' ' PHE . . . . . . . . . . . . . 48.5 p90 -150.23 172.3 15.56 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 125.611 1.564 . . . . 10.0 110.369 168.127 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1887 ' ' THR . . . . . . . . . . . . . 58.6 m -118.43 133.54 55.79 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 124.879 1.272 . . . . 10.0 110.865 -175.113 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1888 ' ' VAL . . . . . . . . . . . . . 1.5 m -126.3 82.3 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 CA-C-O 125.32 2.485 . . . . 10.0 108.098 171.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1889 ' ' ASN . . . . . . . . . . . . . 57.3 t30 -62.4 75.09 0.02 OUTLIER 'General case' 0 C--N 1.312 -1.037 0 C-N-CA 129.145 2.978 . . . . 10.0 113.024 177.307 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 16.8 p -76.03 35.23 0.13 Allowed 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 127.405 2.282 . . . . 10.0 113.544 174.423 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1891 ' ' LYS . . . . . . . . . . . . . 19.3 ptmt -30.13 -56.4 0.18 Allowed 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 130.438 3.495 . . . . 10.0 115.474 -170.373 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -125.82 4.02 7.39 Favored 'General case' 0 CA--C 1.555 1.155 0 C-N-CA 126.963 2.105 . . . . 10.0 113.228 172.03 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1893 ' ' ALA . . . . . . . . . . . . . . . -76.16 -4.19 40.31 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 129.051 2.941 . . . . 10.0 113.74 173.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.281 0 C-N-CA 126.348 1.928 . . . . 10.0 115.404 -171.961 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A 1898 ' ' LEU . . . . . . . . . . . . . 1.6 pp . . . . . 0 CA--C 1.536 0.415 0 N-CA-C 114.19 1.182 . . . . 10.0 114.19 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A 1899 ' ' SER . . . . . . . . . . . . . 23.7 t -147.23 149.67 33.37 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 125.593 1.557 . . . . 10.0 110.097 170.464 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1900 ' ' LEU . . . . . . . . . . . . . 4.4 pp -153.17 167.79 28.13 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.909 1.684 . . . . 10.0 111.611 171.194 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1901 ' ' ALA . . . . . . . . . . . . . . . -144.0 169.19 18.3 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.929 0.892 . . . . 10.0 112.102 169.154 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1902 ' ' ILE . . . . . . . . . . . . . 3.5 mp -121.63 135.01 63.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 C-N-CA 124.44 1.096 . . . . 10.0 108.877 173.495 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1903 ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -129.05 176.11 8.16 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 128.418 2.687 . . . . 10.0 111.374 176.094 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1904 ' ' GLY . . . . . . . . . . . . . . . 160.15 -154.5 25.54 Favored Glycine 0 CA--C 1.538 1.495 0 C-N-CA 124.001 0.81 . . . . 10.0 113.076 -178.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1905 ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -72.14 -13.34 28.5 Favored 'Trans proline' 0 CA--C 1.547 1.128 0 C-N-CA 122.17 1.913 . . . . 10.0 111.949 168.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1906 ' ' SER . . . . . . . . . . . . . 23.2 t -151.35 -174.25 4.76 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 128.733 2.813 . . . . 10.0 110.03 -168.344 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1907 ' ' LYS . . . . . . . . . . . . . 34.2 tptt -129.92 166.08 20.75 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 126.031 1.733 . . . . 10.0 111.983 -174.608 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1908 ' ' ALA . . . . . . . . . . . . . . . -135.75 159.64 41.03 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 127.156 2.182 . . . . 10.0 112.972 -177.384 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1909 ' ' GLU . . . . . . . . . . . . . 72.8 tt0 -85.0 78.55 9.89 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 124.371 1.068 . . . . 10.0 111.465 178.232 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1910 ' ' ILE . . . . . . . . . . . . . 20.0 mt -69.16 130.12 33.95 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 C-N-CA 125.156 1.382 . . . . 10.0 110.708 -178.682 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1911 ' ' SER . . . . . . . . . . . . . 11.0 t -146.63 152.36 38.76 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 123.418 0.687 . . . . 10.0 111.457 172.55 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1912 ' ' CYS . . . . . . . . . . . . . 60.0 m -125.51 154.49 42.03 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 124.034 0.934 . . . . 10.0 112.483 -171.316 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1913 ' ' THR . . . . . . . . . . . . . 62.0 m -131.3 143.5 50.58 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.106 0.962 . . . . 10.0 111.345 -176.371 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1914 ' ' ASP . . . . . . . . . . . . . 14.8 t0 -144.34 95.3 2.69 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 126.087 1.755 . . . . 10.0 111.089 178.183 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1915 ' ' ASN . . . . . . . . . . . . . 26.2 m120 -133.65 -155.14 0.65 Allowed 'General case' 0 CA--C 1.554 1.109 0 C-N-CA 126.85 2.06 . . . . 10.0 110.563 178.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1916 ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -45.37 -35.65 3.74 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 127.651 2.38 . . . . 10.0 115.5 -170.405 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1917 ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -75.88 -14.43 60.27 Favored 'General case' 0 CA--C 1.547 0.827 0 O-C-N 120.16 -1.588 . . . . 10.0 113.786 -178.587 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1918 ' ' GLY . . . . . . . . . . . . . . . 71.55 4.3 56.97 Favored Glycine 0 CA--C 1.537 1.419 0 C-N-CA 124.4 1.0 . . . . 10.0 115.596 174.546 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1919 ' ' THR . . . . . . . . . . . . . 65.0 p -71.45 175.05 5.81 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 126.231 1.812 . . . . 10.0 112.821 179.17 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1920 ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -106.26 22.51 15.62 Favored 'General case' 0 CA--C 1.549 0.922 0 O-C-N 121.463 -0.773 . . . . 10.0 111.634 171.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1921 ' ' SER . . . . . . . . . . . . . 21.6 m -40.94 133.65 2.11 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 128.24 2.616 . . . . 10.0 114.454 -168.693 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1922 ' ' VAL . . . . . . . . . . . . . 28.7 t -123.14 132.79 70.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 124.424 1.09 . . . . 10.0 110.353 -171.318 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1923 ' ' SER . . . . . . . . . . . . . 23.1 t -110.35 151.77 27.03 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 126.173 1.789 . . . . 10.0 110.529 169.534 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1924 ' ' TYR . . . . . . . . . . . . . 15.7 p90 -150.92 170.85 18.32 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 124.568 1.147 . . . . 10.0 111.367 174.559 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1925 ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -149.34 97.22 3.58 Favored Pre-proline 0 CA--C 1.538 0.51 0 C-N-CA 124.8 1.24 . . . . 10.0 108.84 -174.715 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1926 ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -72.82 150.43 49.71 Favored 'Trans proline' 0 CA--C 1.533 0.437 0 C-N-CA 123.497 2.798 . . . . 10.0 112.196 177.253 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1927 ' ' VAL . . . . . . . . . . . . . 33.3 m -116.08 -7.23 12.08 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.212 0 N-CA-C 114.889 1.44 . . . . 10.0 114.889 -178.055 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1928 ' ' LEU . . . . . . . . . . . . . 1.8 tt -148.16 143.59 17.76 Favored Pre-proline 0 N--CA 1.474 0.758 0 C-N-CA 125.278 1.431 . . . . 10.0 110.138 -178.35 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1929 ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -57.79 152.3 50.62 Favored 'Trans proline' 0 CA--C 1.541 0.845 0 C-N-CA 124.482 3.454 . . . . 10.0 113.825 177.587 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1930 ' ' GLY . . . . . . . . . . . . . . . 168.7 -178.78 41.95 Favored Glycine 0 N--CA 1.47 0.902 0 N-CA-C 116.218 1.247 . . . . 10.0 116.218 172.273 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1931 ' ' ASP . . . . . . . . . . . . . 17.9 p-10 -102.96 73.41 1.25 Allowed 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 127.097 2.159 . . . . 10.0 109.594 172.428 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1932 ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -66.32 158.07 30.07 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.084 1.354 . . . . 10.0 111.612 -175.399 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1933 ' ' SER . . . . . . . . . . . . . 31.9 t -120.01 117.15 27.27 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 126.553 1.941 . . . . 10.0 110.974 179.47 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1934 ' ' ILE . . . . . . . . . . . . . 3.5 mm -87.92 108.74 18.82 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 C-N-CA 123.638 0.775 . . . . 10.0 109.354 170.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1935 ' ' LEU . . . . . . . . . . . . . 2.8 mm? -86.99 87.89 7.57 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.357 1.463 . . . . 10.0 108.345 175.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1936 ' ' VAL . . . . . . . . . . . . . 19.1 t -90.08 139.72 17.07 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 CA-C-N 119.479 1.036 . . . . 10.0 110.72 177.211 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1937 ' ' LYS . . . . . . . . . . . . . 62.3 mttm -125.47 168.39 13.68 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 125.511 1.524 . . . . 10.0 111.821 170.545 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1938 ' ' TYR . . . . . . . . . . . . . 82.4 t80 -134.83 128.97 33.77 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.119 0.967 . . . . 10.0 109.745 163.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1939 ' ' ASN . . . . . . . . . . . . . 19.1 t-20 60.49 -59.97 0.07 Allowed 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 129.153 2.981 . . . . 10.0 114.217 -171.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1940 ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -152.32 -10.61 0.18 Allowed 'General case' 0 CA--C 1.555 1.137 0 N-CA-C 116.33 1.974 . . . . 10.0 116.33 -179.399 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1941 ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -137.02 159.37 42.08 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 125.371 1.469 . . . . 10.0 112.016 -173.162 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1942 ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -63.4 147.01 52.38 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 113.496 0.924 . . . . 10.0 113.496 -169.434 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1943 ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -67.18 161.58 62.44 Favored Pre-proline 0 CA--C 1.549 0.939 0 C-N-CA 126.201 1.8 . . . . 10.0 113.358 -177.441 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1944 ' ' PRO . . . . . . . . . . . . . 41.0 Cg_exo -59.24 -11.41 13.09 Favored 'Trans proline' 0 CA--C 1.537 0.634 0 C-N-CA 125.227 3.952 . . . . 10.0 118.016 -170.091 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1945 ' ' GLY . . . . . . . . . . . . . . . -132.2 1.66 4.97 Favored Glycine 0 CA--C 1.529 0.96 0 C-N-CA 128.34 2.876 . . . . 10.0 115.999 177.608 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1946 ' ' SER . . . . . . . . . . . . . 3.5 m -66.13 152.88 93.2 Favored Pre-proline 0 C--O 1.243 0.728 0 CA-C-N 119.779 1.79 . . . . 10.0 112.818 177.175 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1947 ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -78.69 168.34 75.29 Favored 'Cis proline' 0 CA--C 1.555 1.568 0 CA-C-N 119.355 0.805 . . . . 10.0 112.337 -5.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1948 ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -116.65 112.22 20.96 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 125.004 1.322 . . . . 10.0 111.138 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1949 ' ' THR . . . . . . . . . . . . . 57.5 m -73.97 110.14 8.02 Favored 'General case' 0 N--CA 1.49 1.575 0 C-N-CA 125.839 1.656 . . . . 10.0 111.635 173.466 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1950 ' ' ALA . . . . . . . . . . . . . . . -112.08 118.46 35.46 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.793 1.237 . . . . 10.0 112.408 179.561 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1951 ' ' ARG . . . . . . . . . . . . . 11.0 ttm180 -80.84 78.89 7.58 Favored 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 114.425 1.268 . . . . 10.0 114.425 -176.66 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1952 ' ' VAL . . . . . . . . . . . . . 46.6 t -56.7 94.97 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 C-N-CA 128.192 2.597 . . . . 10.0 110.9 168.416 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1953 ' ' THR . . . . . . . . . . . . . 61.5 m -89.18 133.02 34.58 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.253 1.021 . . . . 10.0 112.467 -168.569 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1954 ' ' GLY . . . . . . . . . . . . . . . -82.89 92.41 1.63 Allowed Glycine 0 N--CA 1.468 0.817 0 C-N-CA 126.387 1.946 . . . . 10.0 111.968 176.237 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1955 ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -68.59 -21.88 64.49 Favored 'General case' 0 N--CA 1.483 1.201 0 N-CA-C 113.845 1.054 . . . . 10.0 113.845 -176.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1956 ' ' ASP . . . . . . . . . . . . . 28.6 t70 . . . . . 0 C--O 1.254 1.306 0 C-N-CA 128.833 2.853 . . . . 10.0 111.975 173.009 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A 1868 ' ' VAL . . . . . . . . . . . . . 11.3 m . . . . . 0 N--CA 1.483 1.197 0 CA-C-O 120.293 0.092 . . . . 10.0 110.789 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A 1869 ' ' THR . . . . . . . . . . . . . 16.7 p -139.28 166.27 24.99 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.19 1.396 . . . . 10.0 112.597 -176.714 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1870 ' ' ALA . . . . . . . . . . . . . . . -130.1 145.17 51.67 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 126.666 1.986 . . . . 10.0 111.211 177.131 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1871 ' ' TYR . . . . . . . . . . . . . 48.6 p90 -153.95 172.68 17.05 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 125.233 1.413 . . . . 10.0 111.737 -171.686 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1872 ' ' GLY . . . . . . . . . . . . . . . 111.18 170.05 19.06 Favored Glycine 0 N--CA 1.48 1.587 0 C-N-CA 125.591 1.567 . . . . 10.0 115.411 176.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1873 ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -71.47 -23.73 23.25 Favored 'Trans proline' 0 C--N 1.355 0.912 0 C-N-CA 123.778 2.985 . . . . 10.0 113.985 -172.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1874 ' ' GLY . . . . . . . . . . . . . . . -70.13 -6.29 56.49 Favored Glycine 0 CA--C 1.534 1.251 0 O-C-N 120.307 -1.496 . . . . 10.0 113.728 175.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1875 ' ' LEU . . . . . . . . . . . . . 42.7 mt -81.58 -17.11 49.44 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 119.332 1.566 . . . . 10.0 112.134 169.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1876 ' ' THR . . . . . . . . . . . . . 82.1 p -126.18 -19.09 4.81 Favored 'General case' 0 N--CA 1.485 1.308 0 N-CA-C 114.896 1.443 . . . . 10.0 114.896 -176.371 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1877 ' ' HIS . . . . . . . . . . . . . 43.8 t60 -130.88 175.36 9.12 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 125.663 1.585 . . . . 10.0 110.881 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1878 ' ' GLY . . . . . . . . . . . . . . . -167.32 169.13 40.88 Favored Glycine 0 CA--C 1.542 1.763 0 O-C-N 120.293 -1.504 . . . . 10.0 113.992 -179.185 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1879 ' ' VAL . . . . . . . . . . . . . 11.0 p -137.35 154.93 31.01 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.157 0 C-N-CA 127.247 2.219 . . . . 10.0 109.313 171.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1880 ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -121.49 149.87 24.64 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.215 0 N-CA-C 114.259 1.207 . . . . 10.0 114.259 -169.231 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1881 ' ' ASN . . . . . . . . . . . . . 52.2 m-80 61.27 0.25 0.41 Allowed 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 127.747 2.419 . . . . 10.0 114.258 -168.594 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1882 ' ' LYS . . . . . . . . . . . . . 48.5 mtmt -128.72 157.72 74.42 Favored Pre-proline 0 CA--C 1.543 0.684 0 C-N-CA 126.366 1.866 . . . . 10.0 109.935 167.351 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1883 ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -67.14 140.15 52.99 Favored 'Trans proline' 0 N--CA 1.447 -1.223 0 C-N-CA 124.624 3.549 . . . . 10.0 113.43 -168.155 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1884 ' ' ALA . . . . . . . . . . . . . . . -106.6 150.72 25.9 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-O 122.583 1.183 . . . . 10.0 110.27 168.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1885 ' ' THR . . . . . . . . . . . . . 49.1 p -147.92 161.09 42.02 Favored 'General case' 0 N--CA 1.474 0.766 0 O-C-N 120.813 -1.179 . . . . 10.0 112.119 -175.339 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1886 ' ' PHE . . . . . . . . . . . . . 51.1 p90 -150.78 177.53 10.0 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 127.284 2.234 . . . . 10.0 110.451 169.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1887 ' ' THR . . . . . . . . . . . . . 24.2 m -126.17 154.9 42.56 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 123.493 0.717 . . . . 10.0 111.067 -176.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1888 ' ' VAL . . . . . 0.735 ' CG2' ' H ' ' A' 1920 ' ' CYS . 15.8 m -133.43 -179.04 3.01 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 C-N-CA 126.164 1.786 . . . . 10.0 109.365 177.256 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1889 ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -137.02 63.94 1.55 Allowed 'General case' 0 C--O 1.244 0.8 0 CA-C-O 123.493 1.616 . . . . 10.0 110.641 168.337 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 17.6 p -80.24 66.84 5.88 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 128.315 2.646 . . . . 10.0 111.11 -176.521 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1891 ' ' LYS . . . . . . . . . . . . . 25.6 pttm -64.19 -26.88 68.72 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 116.985 2.216 . . . . 10.0 116.985 -169.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 29.8 t70 -137.62 9.12 2.87 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 126.184 1.794 . . . . 10.0 113.253 -178.142 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1893 ' ' ALA . . . . . . . . . . . . . . . -60.06 -22.64 62.96 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 117.773 2.509 . . . . 10.0 117.773 -169.453 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 1.828 0 C-N-CA 125.437 1.494 . . . . 10.0 113.968 179.899 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A 1898 ' ' LEU . . . . . . . . . . . . . 3.1 tm? . . . . . 0 N--CA 1.478 0.957 0 CA-C-O 119.841 -0.124 . . . . 10.0 111.062 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A 1899 ' ' SER . . . . . . . . . . . . . 23.0 t -151.19 146.41 26.08 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 125.448 1.499 . . . . 10.0 110.023 168.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1900 ' ' LEU . . . . . . . . . . . . . 3.9 pp -151.69 164.5 36.8 Favored 'General case' 0 C--O 1.239 0.529 0 C-N-CA 124.467 1.107 . . . . 10.0 113.924 174.241 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1901 ' ' ALA . . . . . . . . . . . . . . . -151.47 171.12 18.04 Favored 'General case' 0 CA--C 1.554 1.107 0 C-N-CA 124.786 1.234 . . . . 10.0 111.11 169.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1902 ' ' ILE . . . . . . . . . . . . . 1.8 mp -114.57 136.47 51.09 Favored 'Isoleucine or valine' 0 C--O 1.238 0.466 0 C-N-CA 125.619 1.568 . . . . 10.0 108.85 170.369 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1903 ' ' GLU . . . . . . . . . . . . . 87.9 mt-10 -113.08 165.99 11.84 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 127.005 2.122 . . . . 10.0 111.42 169.612 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1904 ' ' GLY . . . . . . . . . . . . . . . 166.24 -165.38 38.18 Favored Glycine 0 CA--C 1.535 1.287 0 O-C-N 121.766 -0.584 . . . . 10.0 112.759 -178.38 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1905 ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -73.43 -22.65 18.3 Favored 'Trans proline' 0 CA--C 1.538 0.694 0 C-N-CA 121.909 1.74 . . . . 10.0 113.581 178.327 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1906 ' ' SER . . . . . . . . . . . . . 10.1 t -142.13 10.41 1.93 Allowed 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 126.181 1.792 . . . . 10.0 113.657 -168.595 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1907 ' ' LYS . . . . . . . . . . . . . 37.9 ttmt 37.35 91.19 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 129.949 3.3 . . . . 10.0 115.856 171.131 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1908 ' ' ALA . . . . . . . . . . . . . . . -54.54 147.27 14.46 Favored 'General case' 0 CA--C 1.553 1.084 0 N-CA-C 114.382 1.253 . . . . 10.0 114.382 -175.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1909 ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -83.12 113.99 21.01 Favored 'General case' 0 CA--C 1.536 0.434 0 O-C-N 120.716 -1.24 . . . . 10.0 112.903 -178.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1910 ' ' ILE . . . . . . . . . . . . . 30.1 mm -76.28 135.36 27.02 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.49 0 C-N-CA 125.306 1.442 . . . . 10.0 110.707 -176.286 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1911 ' ' SER . . . . . . . . . . . . . 15.5 t -142.96 167.37 22.22 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 127.221 2.209 . . . . 10.0 110.736 169.533 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1912 ' ' CYS . . . . . . . . . . . . . 28.5 p -151.35 167.21 28.62 Favored 'General case' 0 CA--C 1.541 0.609 0 O-C-N 120.271 -1.518 . . . . 10.0 113.969 -178.337 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1913 ' ' THR . . . . . . . . . . . . . 23.0 m -135.44 157.61 46.45 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 127.422 2.289 . . . . 10.0 110.126 176.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1914 ' ' ASP . . . . . . . . . . . . . 5.2 t0 -57.6 153.65 12.78 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 124.959 1.304 . . . . 10.0 112.146 175.165 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1915 ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -64.43 178.17 0.77 Allowed 'General case' 0 CA--C 1.556 1.187 0 C-N-CA 126.258 1.823 . . . . 10.0 114.163 179.391 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1916 ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -130.45 -54.24 1.09 Allowed 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.568 1.547 . . . . 10.0 112.426 172.629 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1917 ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -134.17 11.55 3.88 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 126.362 1.865 . . . . 10.0 113.733 -178.401 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1918 ' ' GLY . . . . . . . . . . . . . . . 105.47 57.69 0.66 Allowed Glycine 0 CA--C 1.544 1.87 0 C-N-CA 124.752 1.168 . . . . 10.0 112.882 -173.036 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1919 ' ' THR . . . . . . . . . . . . . 6.3 t -146.85 150.03 34.46 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.706 1.202 . . . . 10.0 112.995 175.308 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1920 ' ' CYS . . . . . 0.735 ' H ' ' CG2' ' A' 1888 ' ' VAL . 5.5 t -92.08 94.73 9.38 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 130.515 3.526 . . . . 10.0 110.129 -175.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1921 ' ' SER . . . . . . . . . . . . . 71.0 m -75.2 72.82 2.3 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.082 1.353 . . . . 10.0 112.465 179.299 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1922 ' ' VAL . . . . . . . . . . . . . 79.8 t -80.23 125.36 39.02 Favored 'Isoleucine or valine' 0 C--O 1.247 0.958 0 C-N-CA 126.316 1.846 . . . . 10.0 111.152 177.26 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1923 ' ' SER . . . . . . . . . . . . . 68.5 m -117.24 121.52 41.43 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 125.121 1.369 . . . . 10.0 108.602 169.5 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1924 ' ' TYR . . . . . . . . . . . . . 28.0 p90 -121.04 145.93 47.25 Favored 'General case' 0 CA--C 1.536 0.432 0 O-C-N 121.048 -1.032 . . . . 10.0 111.423 177.179 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1925 ' ' LEU . . . . . . . . . . . . . 1.8 mt -120.62 94.28 48.77 Favored Pre-proline 0 CA--C 1.549 0.927 0 C-N-CA 124.64 1.176 . . . . 10.0 111.701 -173.664 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1926 ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -71.98 133.8 22.26 Favored 'Trans proline' 0 CA--C 1.545 1.072 0 C-N-CA 122.307 2.005 . . . . 10.0 109.563 169.068 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1927 ' ' VAL . . . . . . . . . . . . . 31.4 m -103.52 -17.64 7.06 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 C-N-CA 124.499 1.12 . . . . 10.0 113.532 -173.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1928 ' ' LEU . . . . . . . . . . . . . 1.3 mp -138.23 150.74 67.85 Favored Pre-proline 0 CA--C 1.555 1.15 0 C-N-CA 125.113 1.365 . . . . 10.0 111.421 169.549 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1929 ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -57.08 158.11 18.75 Favored 'Trans proline' 0 N--CA 1.478 0.611 0 C-N-CA 123.047 2.498 . . . . 10.0 113.959 -178.009 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1930 ' ' GLY . . . . . . . . . . . . . . . 166.9 179.08 39.78 Favored Glycine 0 CA--C 1.533 1.187 0 N-CA-C 116.355 1.302 . . . . 10.0 116.355 -176.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1931 ' ' ASP . . . . . . . . . . . . . 10.9 t70 -109.78 68.52 0.67 Allowed 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 127.325 2.25 . . . . 10.0 109.05 179.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1932 ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -68.56 159.51 31.74 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 125.135 1.374 . . . . 10.0 111.952 -170.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1933 ' ' SER . . . . . . . . . . . . . 49.9 m -116.6 135.5 53.75 Favored 'General case' 0 N--CA 1.478 0.949 0 O-C-N 121.223 -0.923 . . . . 10.0 111.302 173.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1934 ' ' ILE . . . . . . . . . . . . . 7.2 mm -95.91 119.38 43.89 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.939 0 C-N-CA 124.061 0.945 . . . . 10.0 108.483 171.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1935 ' ' LEU . . . . . . . . . . . . . 3.2 mm? -110.78 96.3 6.08 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 125.122 1.369 . . . . 10.0 108.847 -178.127 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1936 ' ' VAL . . . . . . . . . . . . . 11.3 t -104.09 140.51 21.99 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 C-N-CA 123.802 0.841 . . . . 10.0 110.082 177.424 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1937 ' ' LYS . . . . . . . . . . . . . 68.3 mttm -131.09 148.32 52.72 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 127.475 2.31 . . . . 10.0 111.172 174.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1938 ' ' TYR . . . . . . . . . . . . . 41.4 t80 -137.74 120.52 16.36 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 125.557 1.543 . . . . 10.0 110.051 168.129 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1939 ' ' ASN . . . . . . . . . . . . . 3.8 t-20 51.6 68.24 0.83 Allowed 'General case' 0 CA--C 1.556 1.21 0 C-N-CA 125.797 1.639 . . . . 10.0 113.886 -179.644 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1940 ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 73.08 -2.06 2.85 Favored 'General case' 0 CA--C 1.558 1.269 0 C-N-CA 128.803 2.841 . . . . 10.0 116.515 170.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1941 ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -141.23 167.61 21.76 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-N 119.408 1.003 . . . . 10.0 113.491 174.096 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1942 ' ' HIS . . . . . . . . . . . . . 87.7 m-70 -64.26 151.9 42.44 Favored 'General case' 0 N--CA 1.481 1.086 0 N-CA-C 114.461 1.282 . . . . 10.0 114.461 -179.016 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1943 ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -67.48 163.85 43.67 Favored Pre-proline 0 CA--C 1.539 0.52 0 C-N-CA 125.706 1.602 . . . . 10.0 113.977 -178.065 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1944 ' ' PRO . . . . . . . . . . . . . 33.9 Cg_exo -58.19 105.12 0.2 Allowed 'Trans proline' 0 CA--C 1.538 0.685 0 C-N-CA 125.108 3.872 . . . . 10.0 111.739 177.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1945 ' ' GLY . . . . . . . . . . . . . . . 91.82 -2.74 76.9 Favored Glycine 0 CA--C 1.538 1.53 0 C-N-CA 125.5 1.524 . . . . 10.0 116.39 -179.075 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1946 ' ' SER . . . . . . . . . . . . . 2.7 m -66.56 161.12 62.36 Favored Pre-proline 0 N--CA 1.481 1.101 0 CA-C-N 120.136 1.968 . . . . 10.0 112.076 170.52 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1947 ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -73.95 172.75 59.91 Favored 'Cis proline' 0 CA--C 1.551 1.329 0 CA-C-N 118.939 0.657 . . . . 10.0 112.779 -9.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1948 ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -120.59 169.74 10.08 Favored 'General case' 0 CA--C 1.556 1.194 0 C-N-CA 126.139 1.776 . . . . 10.0 111.114 173.468 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1949 ' ' THR . . . . . . . . . . . . . 17.6 m -137.8 99.39 3.9 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.668 1.187 . . . . 10.0 112.044 -173.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1950 ' ' ALA . . . . . . . . . . . . . . . -91.28 107.28 19.09 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 126.16 1.784 . . . . 10.0 113.298 -174.37 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1951 ' ' ARG . . . . . . . . . . . . . 35.7 ttm180 -90.31 94.99 9.97 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 122.873 1.32 . . . . 10.0 114.345 -179.088 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1952 ' ' VAL . . . . . . . . . . . . . 42.1 t -58.83 114.21 0.8 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 C-N-CA 129.449 3.099 . . . . 10.0 112.193 169.479 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1953 ' ' THR . . . . . . . . . . . . . 6.2 t -67.09 -37.4 83.88 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 114.476 1.287 . . . . 10.0 114.476 -169.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1954 ' ' GLY . . . . . . . . . . . . . . . 67.33 78.72 0.25 Allowed Glycine 0 CA--C 1.534 1.23 0 C-N-CA 124.664 1.126 . . . . 10.0 113.68 -177.214 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1955 ' ' ASP . . . . . . . . . . . . . 31.3 t70 -67.04 -26.05 66.56 Favored 'General case' 0 CA--C 1.555 1.163 0 N-CA-C 114.574 1.324 . . . . 10.0 114.574 178.664 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1956 ' ' ASP . . . . . . . . . . . . . 20.4 t70 . . . . . 0 N--CA 1.488 1.445 0 C-N-CA 130.551 3.541 . . . . 10.0 116.679 179.438 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A 1868 ' ' VAL . . . . . . . . . . . . . 10.8 p . . . . . 0 N--CA 1.482 1.134 0 N-CA-C 112.941 0.719 . . . . 10.0 112.941 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A 1869 ' ' THR . . . . . . . . . . . . . 43.5 p -142.05 165.16 28.22 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 125.877 1.671 . . . . 10.0 112.122 179.15 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1870 ' ' ALA . . . . . . . . . . . . . . . -134.38 130.05 36.31 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.669 1.588 . . . . 10.0 110.515 172.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1871 ' ' TYR . . . . . . . . . . . . . 40.8 p90 -156.86 173.14 17.43 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 124.682 1.193 . . . . 10.0 111.728 -172.147 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1872 ' ' GLY . . . . . . . . . . . . . . . 117.54 167.63 14.34 Favored Glycine 0 CA--C 1.551 2.317 0 C-N-CA 125.179 1.371 . . . . 10.0 114.167 175.156 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1873 ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -68.22 -27.97 34.37 Favored 'Trans proline' 0 N--CA 1.455 -0.748 0 C-N-CA 122.03 1.82 . . . . 10.0 112.548 -175.434 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1874 ' ' GLY . . . . . . . . . . . . . . . -65.6 -3.68 15.56 Favored Glycine 0 CA--C 1.539 1.571 0 CA-C-O 118.131 -1.372 . . . . 10.0 116.372 178.149 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1875 ' ' LEU . . . . . . . . . . . . . 61.0 mt -93.99 -10.76 32.56 Favored 'General case' 0 CA--C 1.552 1.037 0 CA-C-N 120.481 2.141 . . . . 10.0 113.399 169.033 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1876 ' ' THR . . . . . . . . . . . . . 80.8 p -135.51 -15.55 1.87 Allowed 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 125.092 1.357 . . . . 10.0 114.006 -171.331 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1877 ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -145.13 -179.29 6.53 Favored 'General case' 0 CA--C 1.555 1.146 0 C-N-CA 128.286 2.635 . . . . 10.0 112.073 177.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1878 ' ' GLY . . . . . . . . . . . . . . . -173.85 175.09 46.45 Favored Glycine 0 N--CA 1.483 1.784 0 O-C-N 120.471 -1.393 . . . . 10.0 113.315 178.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1879 ' ' VAL . . . . . . . . . . . . . 19.6 t -133.79 108.56 11.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 125.398 1.479 . . . . 10.0 109.957 176.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1880 ' ' VAL . . . . . 0.504 HG23 HG12 ' A' 1952 ' ' VAL . 94.1 t -61.25 134.6 26.59 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.285 0 O-C-N 120.674 -1.266 . . . . 10.0 110.848 177.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1881 ' ' ASN . . . . . . . . . . . . . 87.1 m-20 67.14 8.62 6.32 Favored 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 127.391 2.277 . . . . 10.0 116.722 -176.443 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1882 ' ' LYS . . . . . . . . . . . . . 1.7 tttp -124.14 147.06 53.38 Favored Pre-proline 0 N--CA 1.482 1.141 0 CA-C-N 119.116 0.871 . . . . 10.0 111.608 168.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1883 ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -51.43 112.44 0.81 Allowed 'Trans proline' 0 C--N 1.357 1.016 0 C-N-CA 124.107 3.205 . . . . 10.0 112.859 172.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1884 ' ' ALA . . . . . . . . . . . . . . . -94.92 153.67 17.57 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.47 1.108 . . . . 10.0 109.869 174.458 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1885 ' ' THR . . . . . . . . . . . . . 57.5 p -148.66 151.52 35.09 Favored 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 114.061 1.134 . . . . 10.0 114.061 -173.362 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1886 ' ' PHE . . . . . . . . . . . . . 22.9 p90 -143.44 162.66 35.22 Favored 'General case' 0 C--O 1.244 0.783 0 C-N-CA 125.161 1.384 . . . . 10.0 109.917 166.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1887 ' ' THR . . . . . . . . . . . . . 48.0 m -112.88 133.03 55.05 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.091 0.956 . . . . 10.0 110.131 -169.638 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1888 ' ' VAL . . . . . . . . . . . . . 5.2 m -127.71 143.87 39.35 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 C-N-CA 125.8 1.64 . . . . 10.0 108.153 167.645 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1889 ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -136.61 95.56 3.17 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 126.179 1.792 . . . . 10.0 110.797 -166.666 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 40.9 p -94.37 20.0 8.83 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 128.617 2.767 . . . . 10.0 113.854 -173.218 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1891 ' ' LYS . . . . . . . . . . . . . 22.5 pttm -31.74 -49.26 0.17 Allowed 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 130.234 3.413 . . . . 10.0 116.348 -177.266 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 37.7 t70 -118.13 5.05 11.98 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 125.783 1.633 . . . . 10.0 112.376 -177.48 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1893 ' ' ALA . . . . . . . . . . . . . . . -87.13 14.04 8.35 Favored 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 128.852 2.861 . . . . 10.0 114.757 -169.321 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 1.794 0 C-N-CA 126.807 2.146 . . . . 10.0 113.286 -177.513 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A 1898 ' ' LEU . . . . . . . . . . . . . 3.2 tm? . . . . . 0 N--CA 1.469 0.511 0 N-CA-C 109.445 -0.576 . . . . 10.0 109.445 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A 1899 ' ' SER . . . . . . . . . . . . . 21.4 t -149.1 148.63 29.91 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 125.329 1.452 . . . . 10.0 111.287 176.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1900 ' ' LEU . . . . . . . . . . . . . 1.7 pp -154.65 171.68 19.1 Favored 'General case' 0 C--O 1.237 0.415 0 N-CA-C 115.745 1.757 . . . . 10.0 115.745 -178.414 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1901 ' ' ALA . . . . . . . . . . . . . . . -154.04 173.97 15.3 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.794 1.238 . . . . 10.0 111.843 168.55 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1902 ' ' ILE . . . . . . . . . . . . . 1.3 mp -123.0 145.99 29.01 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.871 0 C-N-CA 126.672 1.989 . . . . 10.0 110.689 175.524 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1903 ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -124.19 168.97 12.2 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 126.164 1.786 . . . . 10.0 110.048 170.502 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1904 ' ' GLY . . . . . . . . . . . . . . . 167.03 -163.0 36.79 Favored Glycine 0 CA--C 1.539 1.534 0 C-N-CA 123.863 0.744 . . . . 10.0 112.72 -178.558 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1905 ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -70.09 -17.59 36.0 Favored 'Trans proline' 0 C--N 1.355 0.9 0 C-N-CA 123.887 3.058 . . . . 10.0 112.787 172.143 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1906 ' ' SER . . . . . . . . . . . . . 9.1 t -151.36 170.93 18.36 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 128.992 2.917 . . . . 10.0 109.48 -168.609 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1907 ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -91.22 173.24 8.03 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.719 1.208 . . . . 10.0 111.97 175.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1908 ' ' ALA . . . . . . . . . . . . . . . -140.31 155.2 46.91 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.902 1.281 . . . . 10.0 110.932 171.185 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1909 ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -86.06 83.48 7.75 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.424 1.49 . . . . 10.0 111.855 -176.489 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1910 ' ' ILE . . . . . . . . . . . . . 11.6 mm -68.4 133.21 32.11 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 C-N-CA 124.636 1.174 . . . . 10.0 111.822 -173.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1911 ' ' SER . . . . . . . . . . . . . 16.0 t -146.88 97.42 2.9 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 126.409 1.884 . . . . 10.0 112.017 171.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1912 ' ' CYS . . . . . . . . . . . . . 26.4 p -69.82 149.27 48.08 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-O 121.676 0.75 . . . . 10.0 112.171 170.579 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1913 ' ' THR . . . . . . . . . . . . . 44.2 m -78.87 154.42 29.79 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.718 1.207 . . . . 10.0 112.459 168.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1914 ' ' ASP . . . . . . . . . . . . . 21.4 t0 -135.75 93.2 2.91 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.64 1.576 . . . . 10.0 110.895 170.437 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1915 ' ' ASN . . . . . . . . . . . . . 61.2 t-20 -123.7 133.68 53.84 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 125.455 1.502 . . . . 10.0 110.832 -170.615 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1916 ' ' GLN . . . . . . . . . . . . . 27.3 mp0 -60.69 -8.48 2.97 Favored 'General case' 0 CA--C 1.553 1.075 0 C-N-CA 126.093 1.757 . . . . 10.0 113.974 174.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1917 ' ' ASP . . . . . . . . . . . . . 32.9 t70 -80.31 -11.56 59.7 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 126.069 1.747 . . . . 10.0 112.723 176.617 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1918 ' ' GLY . . . . . . . . . . . . . . . 90.67 53.84 2.19 Favored Glycine 0 C--N 1.339 0.727 0 C-N-CA 125.544 1.545 . . . . 10.0 113.603 177.617 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1919 ' ' THR . . . . . . . . . . . . . 71.6 p -136.74 155.61 49.61 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 124.523 1.129 . . . . 10.0 111.044 174.302 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1920 ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -123.39 4.52 9.07 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 124.624 1.169 . . . . 10.0 113.086 175.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1921 ' ' SER . . . . . . . . . . . . . 60.3 m -8.33 99.56 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 130.067 3.347 . . . . 10.0 116.207 -179.666 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1922 ' ' VAL . . . . . . . . . . . . . 59.5 t -80.05 106.12 10.67 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.675 0 C-N-CA 125.626 1.57 . . . . 10.0 111.651 -176.468 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1923 ' ' SER . . . . . . . . . . . . . 68.1 m -89.4 144.03 26.37 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 124.344 1.057 . . . . 10.0 108.607 165.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1924 ' ' TYR . . . . . . . . . . . . . 24.4 p90 -148.43 165.62 30.59 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.763 1.625 . . . . 10.0 109.889 173.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1925 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -136.19 93.18 15.18 Favored Pre-proline 0 N--CA 1.479 0.982 0 O-C-N 120.909 -1.119 . . . . 10.0 109.667 -176.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1926 ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -72.18 139.35 32.26 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 122.496 2.131 . . . . 10.0 109.757 178.211 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1927 ' ' VAL . . . . . . . . . . . . . 28.7 m -112.64 -7.62 11.94 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 C-N-CA 124.675 1.19 . . . . 10.0 113.59 -174.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1928 ' ' LEU . . . . . . . . . . . . . 3.8 tt -146.12 135.13 11.19 Favored Pre-proline 0 CA--C 1.549 0.938 0 C-N-CA 125.093 1.357 . . . . 10.0 110.124 -177.487 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1929 ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo -51.56 132.18 39.75 Favored 'Trans proline' 0 N--CA 1.491 1.341 0 C-N-CA 123.912 3.075 . . . . 10.0 114.459 175.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1930 ' ' GLY . . . . . . . . . . . . . . . -172.57 173.63 45.45 Favored Glycine 0 CA--C 1.528 0.873 0 N-CA-C 116.435 1.334 . . . . 10.0 116.435 -174.651 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1931 ' ' ASP . . . . . . . . . . . . . 33.7 m-20 -104.91 61.75 0.7 Allowed 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 127.071 2.148 . . . . 10.0 110.474 178.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1932 ' ' TYR . . . . . . . . . . . . . 56.0 m-85 -63.2 115.46 4.53 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.287 1.035 . . . . 10.0 113.628 -168.622 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1933 ' ' SER . . . . . . . . . . . . . 66.4 m -74.02 145.84 44.22 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-O 121.376 0.608 . . . . 10.0 110.826 172.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1934 ' ' ILE . . . . . . . . . . . . . 3.9 mm -114.94 124.46 71.62 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 C-N-CA 126.562 1.945 . . . . 10.0 109.666 175.442 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1935 ' ' LEU . . . . . . . . . . . . . 2.8 mm? -117.36 95.35 4.93 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 125.185 1.394 . . . . 10.0 109.837 -173.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1936 ' ' VAL . . . . . . . . . . . . . 15.9 t -105.84 138.73 29.73 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 O-C-N 120.895 -1.128 . . . . 10.0 109.79 -177.097 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1937 ' ' LYS . . . . . . . . . . . . . 98.3 mttt -129.39 151.65 49.79 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.873 1.669 . . . . 10.0 111.185 174.006 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1938 ' ' TYR . . . . . . . . . . . . . 80.3 t80 -137.22 103.41 5.1 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 108.246 -1.02 . . . . 10.0 108.246 171.25 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1939 ' ' ASN . . . . . . . . . . . . . 1.2 t30 59.52 73.87 0.46 Allowed 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 127.608 2.363 . . . . 10.0 113.013 -169.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1940 ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 58.03 -9.25 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.747 0 C-N-CA 129.939 3.295 . . . . 10.0 117.815 175.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1941 ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -111.33 145.32 39.04 Favored 'General case' 0 C--O 1.238 0.461 0 C-N-CA 126.022 1.729 . . . . 10.0 110.202 177.18 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1942 ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -62.03 148.75 43.03 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-O 121.772 0.796 . . . . 10.0 113.147 175.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1943 ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.82 166.39 15.7 Favored Pre-proline 0 CA--C 1.549 0.912 0 C-N-CA 126.41 1.884 . . . . 10.0 113.106 -174.54 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1944 ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -58.52 1.54 0.26 Allowed 'Trans proline' 0 CA--C 1.55 1.323 1 C-N-CA 126.84 5.027 . . . . 10.0 118.046 -172.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1945 ' ' GLY . . . . . . . . . . . . . . . -148.82 2.97 0.67 Allowed Glycine 0 CA--C 1.539 1.584 0 C-N-CA 126.779 2.133 . . . . 10.0 115.47 176.603 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1946 ' ' SER . . . . . . . . . . . . . 1.5 m -76.35 162.32 71.53 Favored Pre-proline 0 N--CA 1.482 1.148 0 CA-C-N 120.282 2.041 . . . . 10.0 112.52 -175.485 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1947 ' ' PRO . . . . . . . . . . . . . 64.8 Cg_endo -73.03 172.57 59.58 Favored 'Cis proline' 0 CA--C 1.537 0.64 0 CA-C-O 121.515 0.548 . . . . 10.0 112.775 -10.706 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1948 ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -120.89 168.59 11.31 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.369 1.468 . . . . 10.0 111.328 173.317 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1949 ' ' THR . . . . . . . . . . . . . 24.6 m -142.44 99.08 3.42 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 124.73 1.212 . . . . 10.0 110.293 -179.266 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1950 ' ' ALA . . . . . . . . . . . . . . . -70.72 163.72 26.57 Favored 'General case' 0 N--CA 1.446 -0.631 0 C-N-CA 125.485 1.514 . . . . 10.0 113.077 175.063 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1951 ' ' ARG . . . . . . . . . . . . . 19.6 ttm180 -134.0 78.49 1.76 Allowed 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 126.124 1.77 . . . . 10.0 110.347 178.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1952 ' ' VAL . . . . . 0.504 HG12 HG23 ' A' 1880 ' ' VAL . 3.0 t -66.23 97.74 0.27 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.543 0 C-N-CA 127.245 2.218 . . . . 10.0 111.559 177.178 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1953 ' ' THR . . . . . . . . . . . . . 35.2 p -70.51 129.49 39.38 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.011 0.924 . . . . 10.0 111.819 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1954 ' ' GLY . . . . . . . . . . . . . . . -85.67 179.51 50.23 Favored Glycine 0 CA--C 1.534 1.272 0 C-N-CA 126.549 2.023 . . . . 10.0 113.622 177.572 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1955 ' ' ASP . . . . . . . . . . . . . 33.0 t70 -124.15 -29.14 3.62 Favored 'General case' 0 CA--C 1.558 1.257 0 C-N-CA 125.278 1.431 . . . . 10.0 113.609 175.438 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1956 ' ' ASP . . . . . . . . . . . . . 28.9 t70 . . . . . 0 C--O 1.258 1.552 0 C-N-CA 124.527 1.131 . . . . 10.0 112.898 177.374 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.888 0 N-CA-C 112.15 -0.38 . . . . 10.0 112.15 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' -3' ' ' ALA . . . . . . . . . . . . . . . -82.62 172.19 13.22 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.533 1.533 . . . . 10.0 113.294 175.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 24.5 mmt -122.04 163.48 19.33 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 127.46 2.304 . . . . 10.0 109.852 171.043 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -1' ' ' VAL . . . . . . . . . . . . . 10.3 p -58.91 -23.28 23.52 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.161 0 C-N-CA 125.298 1.439 . . . . 10.0 114.319 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1863 ' ' VAL . . . . . . . . . . . . . 35.0 m -80.39 -9.38 12.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 C-N-CA 125.713 1.605 . . . . 10.0 115.098 -178.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1864 ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -128.25 14.75 6.7 Favored 'General case' 0 N--CA 1.482 1.165 0 N-CA-C 115.862 1.801 . . . . 10.0 115.862 -173.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1865 ' ' CYS . . . . . . . . . . . . . 79.3 m -56.07 154.66 7.37 Favored 'General case' 0 CA--C 1.557 1.221 0 C-N-CA 124.822 1.249 . . . . 10.0 113.663 -177.437 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1866 ' ' GLY . . . . . . . . . . . . . . . -66.87 176.29 21.48 Favored Glycine 0 N--CA 1.475 1.278 0 C-N-CA 126.86 2.172 . . . . 10.0 116.714 -175.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1867 ' ' HIS . . . . . . . . . . . . . 26.0 m170 -71.35 -25.59 62.45 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 125.158 1.383 . . . . 10.0 113.007 -175.242 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1868 ' ' VAL . . . . . . . . . . . . . 14.7 p -151.9 132.12 4.0 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 C-N-CA 126.788 2.035 . . . . 10.0 109.839 -178.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1869 ' ' THR . . . . . . . . . . . . . 20.6 m -137.72 155.3 49.23 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 125.73 1.612 . . . . 10.0 110.539 -170.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1870 ' ' ALA . . . . . . . . . . . . . . . -131.63 127.55 37.26 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 126.238 1.815 . . . . 10.0 110.108 169.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1871 ' ' TYR . . . . . . . . . . . . . 42.5 p90 -148.89 162.57 39.59 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.974 1.31 . . . . 10.0 113.186 -175.294 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1872 ' ' GLY . . . . . . . . . . . . . . . 123.48 169.42 13.21 Favored Glycine 0 CA--C 1.54 1.646 0 C-N-CA 124.545 1.069 . . . . 10.0 114.055 178.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1873 ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.52 -24.01 31.24 Favored 'Trans proline' 0 C--N 1.358 1.047 0 C-N-CA 122.818 2.345 . . . . 10.0 113.592 -177.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1874 ' ' GLY . . . . . . . . . . . . . . . -70.32 -3.32 46.08 Favored Glycine 0 CA--C 1.533 1.189 0 CA-C-O 118.291 -1.283 . . . . 10.0 115.762 178.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1875 ' ' LEU . . . . . . . . . . . . . 89.2 mt -89.19 -15.9 32.61 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 119.142 1.471 . . . . 10.0 113.273 168.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1876 ' ' THR . . . . . . . . . . . . . 8.9 t -128.74 -23.57 3.1 Favored 'General case' 0 N--CA 1.484 1.26 0 N-CA-C 115.054 1.501 . . . . 10.0 115.054 -167.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1877 ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -140.83 168.46 19.74 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 125.754 1.622 . . . . 10.0 111.038 177.179 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1878 ' ' GLY . . . . . . . . . . . . . . . -152.03 170.45 31.39 Favored Glycine 0 N--CA 1.478 1.437 0 C-N-CA 124.776 1.179 . . . . 10.0 114.182 178.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1879 ' ' VAL . . . . . . . . . . . . . 40.8 t -135.1 114.25 16.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 125.044 1.337 . . . . 10.0 109.016 174.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1880 ' ' VAL . . . . . 0.42 HG23 HG12 ' A' 1952 ' ' VAL . 91.1 t -60.35 134.52 25.62 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.519 0 C-N-CA 123.927 0.891 . . . . 10.0 111.265 179.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1881 ' ' ASN . . . . . . . . . . . . . 87.2 m-20 64.95 4.84 2.63 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 128.314 2.646 . . . . 10.0 116.691 -178.449 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1882 ' ' LYS . . . . . 0.416 ' HA ' ' HD3' ' A' 1883 ' ' PRO . 0.3 OUTLIER -122.18 139.52 30.72 Favored Pre-proline 0 CA--C 1.545 0.769 0 CA-C-N 121.422 1.919 . . . . 10.0 111.077 170.337 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 1883 ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' 1882 ' ' LYS . 73.6 Cg_exo -52.85 122.12 10.47 Favored 'Trans proline' 0 CA--C 1.536 0.606 0 C-N-CA 123.635 2.89 . . . . 10.0 113.419 -171.178 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1884 ' ' ALA . . . . . . . . . . . . . . . -93.0 138.71 31.24 Favored 'General case' 0 C--O 1.241 0.619 0 C-N-CA 124.465 1.106 . . . . 10.0 109.371 173.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1885 ' ' THR . . . . . . . . . . . . . 33.9 p -143.38 151.43 40.41 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 113.295 0.85 . . . . 10.0 113.295 -174.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1886 ' ' PHE . . . . . . . . . . . . . 44.8 p90 -149.92 169.16 21.79 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.072 1.349 . . . . 10.0 111.062 167.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1887 ' ' THR . . . . . . . . . . . . . 79.6 m -110.46 139.79 45.34 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.433 1.093 . . . . 10.0 111.424 -173.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1888 ' ' VAL . . . . . 0.429 HG23 ' HB3' ' A' 1920 ' ' CYS . 3.9 m -124.87 152.1 30.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 125.664 1.585 . . . . 10.0 109.189 168.658 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1889 ' ' ASN . . . . . . . . . . . . . 45.2 t30 -147.27 101.09 3.35 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 125.655 1.582 . . . . 10.0 111.943 -169.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1890 ' ' THR . . . . . . . . . . . . . 24.3 p -79.29 34.72 0.26 Allowed 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 126.171 1.788 . . . . 10.0 113.569 179.065 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1891 ' ' LYS . . . . . . . . . . . . . 12.1 ptmm? -37.97 -39.35 0.38 Allowed 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 128.945 2.898 . . . . 10.0 117.439 -171.247 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -124.63 -12.48 7.17 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 124.686 1.194 . . . . 10.0 113.954 171.145 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1893 ' ' ALA . . . . . . . . . . . . . . . -63.67 -37.22 86.53 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 125.762 1.625 . . . . 10.0 115.333 171.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . 149.37 -162.17 28.96 Favored Glycine 0 CA--C 1.538 1.515 0 CA-C-N 119.147 0.885 . . . . 10.0 114.409 -178.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1895 ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -79.02 -6.66 56.9 Favored 'General case' 0 CA--C 1.557 1.233 0 C-N-CA 125.126 1.37 . . . . 10.0 114.37 175.034 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1896 ' ' GLY . . . . . . . . . . . . . . . 155.08 -147.97 17.69 Favored Glycine 0 CA--C 1.55 2.271 0 C-N-CA 125.273 1.416 . . . . 10.0 111.872 -173.515 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1897 ' ' GLY . . . . . . . . . . . . . . . 95.98 -9.48 68.03 Favored Glycine 0 CA--C 1.55 2.245 0 C-N-CA 125.288 1.423 . . . . 10.0 115.709 169.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1898 ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -70.33 167.5 17.95 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 118.46 1.13 . . . . 10.0 111.339 170.211 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1899 ' ' SER . . . . . . . . . . . . . 9.4 t -146.48 160.78 41.66 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 120.821 -1.174 . . . . 10.0 112.827 -177.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1900 ' ' LEU . . . . . 0.57 HD11 HG21 ' A' 1922 ' ' VAL . 73.3 mt -129.72 163.75 25.48 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.638 1.175 . . . . 10.0 114.152 179.225 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1901 ' ' ALA . . . . . . . . . . . . . . . -145.72 145.28 30.8 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 126.202 1.801 . . . . 10.0 107.755 165.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1902 ' ' ILE . . . . . . . . . . . . . 1.1 mp -124.43 132.4 71.4 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 124.842 1.257 . . . . 10.0 109.363 179.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1903 ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 -118.09 172.49 7.38 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 127.252 2.221 . . . . 10.0 111.269 177.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1904 ' ' GLY . . . . . . . . . . . . . . . 155.58 -162.81 31.35 Favored Glycine 0 CA--C 1.546 1.99 0 C-N-CA 125.412 1.482 . . . . 10.0 112.409 -175.343 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1905 ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -71.11 -17.95 31.16 Favored 'Trans proline' 0 CA--C 1.545 1.029 0 C-N-CA 123.565 2.844 . . . . 10.0 112.907 169.028 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1906 ' ' SER . . . . . . . . . . . . . 13.8 t -149.68 171.65 16.34 Favored 'General case' 0 C--O 1.243 0.732 0 C-N-CA 128.834 2.854 . . . . 10.0 109.478 -167.096 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1907 ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -116.33 173.84 6.38 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.268 1.427 . . . . 10.0 112.22 -170.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1908 ' ' ALA . . . . . . . . . . . . . . . -144.23 171.55 14.15 Favored 'General case' 0 CA--C 1.56 1.351 0 C-N-CA 126.591 1.957 . . . . 10.0 112.434 178.013 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1909 ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -96.12 -6.43 38.49 Favored 'General case' 0 N--CA 1.484 1.266 0 N-CA-C 116.016 1.858 . . . . 10.0 116.016 -170.035 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1910 ' ' ILE . . . . . . . . . . . . . 4.0 mt 25.29 72.21 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 131.371 3.869 . . . . 10.0 113.073 -176.336 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1911 ' ' SER . . . . . . . . . . . . . 6.0 t -81.18 170.18 16.45 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.308 1.443 . . . . 10.0 111.865 171.025 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1912 ' ' CYS . . . . . . . . . . . . . 30.3 p -149.27 172.96 14.03 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 113.391 0.886 . . . . 10.0 113.391 171.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1913 ' ' THR . . . . . . . . . . . . . 24.3 m -139.02 133.97 32.38 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 125.706 1.602 . . . . 10.0 110.905 178.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1914 ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -70.51 -42.51 71.21 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.526 1.13 . . . . 10.0 113.856 -175.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1915 ' ' ASN . . . . . . . . . . . . . 67.9 m-80 49.89 -165.65 0.03 OUTLIER 'General case' 0 CA--C 1.554 1.119 0 C-N-CA 127.72 2.408 . . . . 10.0 112.951 -169.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1916 ' ' GLN . . . . . . . . . . . . . 19.4 tt0 -120.64 9.24 10.76 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 126.952 2.101 . . . . 10.0 111.305 170.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1917 ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -100.57 -2.9 31.72 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 125.855 1.662 . . . . 10.0 113.932 -173.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1918 ' ' GLY . . . . . . . . . . . . . . . 91.3 -3.42 79.66 Favored Glycine 0 CA--C 1.538 1.509 0 C-N-CA 124.925 1.25 . . . . 10.0 115.989 173.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1919 ' ' THR . . . . . . . . . . . . . 70.0 p -75.89 169.71 17.62 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.813 1.245 . . . . 10.0 111.997 177.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1920 ' ' CYS . . . . . 0.429 ' HB3' HG23 ' A' 1888 ' ' VAL . 0.5 OUTLIER -115.54 41.26 2.54 Favored 'General case' 0 CA--C 1.551 0.982 0 O-C-N 121.492 -0.755 . . . . 10.0 109.856 168.224 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 1921 ' ' SER . . . . . . . . . . . . . 10.6 t -33.91 115.06 0.22 Allowed 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 128.177 2.591 . . . . 10.0 114.561 -167.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1922 ' ' VAL . . . . . 0.57 HG21 HD11 ' A' 1900 ' ' LEU . 86.1 t -96.31 137.12 25.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 123.568 0.747 . . . . 10.0 110.931 -173.322 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1923 ' ' SER . . . . . . . . . . . . . 72.7 m -135.33 119.19 17.3 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 125.396 1.478 . . . . 10.0 111.359 178.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1924 ' ' TYR . . . . . . . . . . . . . 16.4 p90 -132.34 174.87 9.79 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.998 1.319 . . . . 10.0 110.441 179.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1925 ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -140.98 97.45 7.06 Favored Pre-proline 0 CA--C 1.551 0.981 0 O-C-N 120.409 -1.432 . . . . 10.0 111.218 -174.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1926 ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -70.45 122.09 8.6 Favored 'Trans proline' 0 C--N 1.356 0.924 0 C-N-CA 122.221 1.947 . . . . 10.0 111.355 169.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1927 ' ' VAL . . . . . . . . . . . . . 28.8 m -106.02 0.18 10.07 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.247 0 C-N-CA 125.553 1.541 . . . . 10.0 114.308 -175.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1928 ' ' LEU . . . . . . . . . . . . . 4.8 tt -149.6 135.01 9.76 Favored Pre-proline 0 CA--C 1.563 1.475 0 C-N-CA 125.845 1.658 . . . . 10.0 109.607 175.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1929 ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -57.8 138.43 86.03 Favored 'Trans proline' 0 CA--C 1.546 1.097 0 C-N-CA 123.255 2.637 . . . . 10.0 113.975 -177.256 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1930 ' ' GLY . . . . . . . . . . . . . . . 175.08 -178.16 46.88 Favored Glycine 0 N--CA 1.477 1.386 0 N-CA-C 117.643 1.817 . . . . 10.0 117.643 -175.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1931 ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -99.1 82.18 2.69 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 126.115 1.766 . . . . 10.0 109.651 178.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1932 ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -80.07 101.73 8.9 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.834 1.254 . . . . 10.0 111.027 -170.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1933 ' ' SER . . . . . . . . . . . . . 73.5 m -79.66 110.47 15.02 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 124.065 0.946 . . . . 10.0 112.213 -176.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1934 ' ' ILE . . . . . . . . . . . . . 1.2 mp -76.83 129.24 37.53 Favored 'Isoleucine or valine' 0 C--O 1.243 0.713 0 C-N-CA 124.882 1.273 . . . . 10.0 109.294 170.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1935 ' ' LEU . . . . . . . . . . . . . 3.0 mm? -106.64 100.86 10.35 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 126.887 2.075 . . . . 10.0 108.039 167.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1936 ' ' VAL . . . . . . . . . . . . . 15.6 t -87.2 129.18 39.07 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.405 0 CA-C-N 119.847 1.203 . . . . 10.0 110.159 172.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1937 ' ' LYS . . . . . . . . . . . . . 73.9 mttt -119.47 144.62 46.88 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.711 1.204 . . . . 10.0 111.681 169.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1938 ' ' TYR . . . . . . . . . . . . . 71.1 t80 -127.88 118.0 22.84 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 125.296 1.439 . . . . 10.0 108.313 169.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1939 ' ' ASN . . . . . . . . . . . . . 43.3 t30 44.77 71.89 0.23 Allowed 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 126.305 1.842 . . . . 10.0 114.039 -172.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1940 ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 68.15 -9.12 0.51 Allowed 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 128.516 2.726 . . . . 10.0 116.293 172.087 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1941 ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -127.39 159.72 33.61 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.331 1.452 . . . . 10.0 112.504 179.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1942 ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -72.65 155.21 40.24 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 113.853 1.057 . . . . 10.0 113.853 -173.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1943 ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -73.47 163.94 64.74 Favored Pre-proline 0 CA--C 1.542 0.651 0 C-N-CA 125.499 1.519 . . . . 10.0 113.205 179.221 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1944 ' ' PRO . . . . . . . . . . . . . 47.8 Cg_exo -64.62 -20.21 65.31 Favored 'Trans proline' 0 CA--C 1.55 1.281 0 C-N-CA 124.411 3.407 . . . . 10.0 115.918 -170.289 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1945 ' ' GLY . . . . . . . . . . . . . . . -114.15 -1.88 23.54 Favored Glycine 0 CA--C 1.541 1.667 0 C-N-CA 126.851 2.167 . . . . 10.0 114.641 -178.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1946 ' ' SER . . . . . . . . . . . . . 5.9 m -69.45 155.33 93.73 Favored Pre-proline 0 CA--C 1.545 0.774 0 CA-C-N 118.485 1.143 . . . . 10.0 112.349 178.068 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1947 ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -72.24 172.58 57.02 Favored 'Cis proline' 0 CA--C 1.548 1.178 0 CA-C-N 119.998 1.035 . . . . 10.0 112.848 -11.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1948 ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -120.63 165.64 14.76 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.726 1.61 . . . . 10.0 109.236 167.085 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1949 ' ' THR . . . . . . . . . . . . . 8.8 m -142.23 98.51 3.33 Favored 'General case' 0 N--CA 1.479 1.023 0 O-C-N 121.2 -0.938 . . . . 10.0 110.93 -175.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1950 ' ' ALA . . . . . . . . . . . . . . . -74.99 103.84 5.34 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.363 1.065 . . . . 10.0 111.672 174.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1951 ' ' ARG . . . . . . . . . . . . . 65.7 ttt-85 -79.85 91.28 5.34 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-O 123.074 1.416 . . . . 10.0 111.055 175.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1952 ' ' VAL . . . . . 0.42 HG12 HG23 ' A' 1880 ' ' VAL . 2.4 t -68.1 115.54 6.5 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 128.18 2.592 . . . . 10.0 112.575 174.182 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1953 ' ' THR . . . . . . . . . . . . . 5.7 t -93.46 151.28 19.83 Favored 'General case' 0 C--O 1.243 0.753 0 C-N-CA 124.351 1.06 . . . . 10.0 111.53 171.233 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1954 ' ' GLY . . . . . . . . . . . . . . . -105.62 167.95 15.01 Favored Glycine 0 CA--C 1.535 1.297 0 CA-C-O 122.399 1.0 . . . . 10.0 114.48 -176.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1955 ' ' ASP . . . . . . . . . . . . . 37.4 t70 -129.36 -12.79 4.46 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 126.278 1.831 . . . . 10.0 113.977 -173.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1956 ' ' ASP . . . . . . . . . . . . . 33.8 t70 . . . . . 0 C--O 1.252 1.184 0 C-N-CA 126.614 1.966 . . . . 10.0 113.067 -178.187 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.462 0 N-CA-C 111.916 -0.474 . . . . 10.0 111.916 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' -3' ' ' ALA . . . . . . . . . . . . . . . -130.19 -32.09 1.83 Allowed 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 115.248 1.573 . . . . 10.0 115.248 -176.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 9.0 tpt -149.9 112.93 4.86 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 124.884 1.274 . . . . 10.0 112.304 -176.219 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -1' ' ' VAL . . . . . . . . . . . . . 29.0 m -71.46 -25.34 24.74 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.233 0 N-CA-C 115.052 1.501 . . . . 10.0 115.052 -173.024 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1863 ' ' VAL . . . . . . . . . . . . . 47.3 t -70.06 -41.3 79.15 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 C-N-CA 123.971 0.908 . . . . 10.0 111.381 -175.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1864 ' ' ASN . . . . . . . . . . . . . 4.7 t-20 63.94 -27.08 0.08 Allowed 'General case' 0 CA--C 1.563 1.451 0 C-N-CA 129.507 3.123 . . . . 10.0 117.234 172.276 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1865 ' ' CYS . . . . . . . . . . . . . 29.3 p -103.87 -6.98 20.83 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 126.123 1.769 . . . . 10.0 115.456 -172.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1866 ' ' GLY . . . . . . . . . . . . . . . -88.9 4.62 84.89 Favored Glycine 0 N--CA 1.484 1.871 0 C-N-CA 125.56 1.553 . . . . 10.0 114.683 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1867 ' ' HIS . . . . . . . . . . . . . 46.0 t60 -61.04 -48.92 79.53 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 125.784 1.634 . . . . 10.0 113.904 -170.186 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1868 ' ' VAL . . . . . . . . . . . . . 9.2 p -132.3 125.45 54.01 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 125.278 1.431 . . . . 10.0 109.383 173.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1869 ' ' THR . . . . . . . . . . . . . 73.1 p -139.9 -173.76 3.73 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 125.721 1.608 . . . . 10.0 109.557 -172.009 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1870 ' ' ALA . . . . . . . . . . . . . . . -133.22 127.35 33.55 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 125.367 1.467 . . . . 10.0 110.916 169.309 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1871 ' ' TYR . . . . . . . . . . . . . 47.4 p90 -147.63 160.48 42.62 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.483 1.113 . . . . 10.0 111.64 179.407 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1872 ' ' GLY . . . . . . . . . . . . . . . 131.18 169.65 12.47 Favored Glycine 0 CA--C 1.545 1.928 0 C-N-CA 125.718 1.628 . . . . 10.0 113.1 176.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1873 ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -74.42 -19.58 19.23 Favored 'Trans proline' 0 CA--C 1.546 1.101 0 C-N-CA 123.396 2.731 . . . . 10.0 113.804 -170.44 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1874 ' ' GLY . . . . . . . . . . . . . . . -73.68 -12.49 80.62 Favored Glycine 0 CA--C 1.531 1.032 0 CA-C-O 118.341 -1.255 . . . . 10.0 114.441 173.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1875 ' ' LEU . . . . . . . . . . . . . 44.7 mt -86.26 -9.4 56.55 Favored 'General case' 0 C--N 1.352 0.688 0 CA-C-N 119.298 1.549 . . . . 10.0 113.063 171.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1876 ' ' THR . . . . . . . . . . . . . 70.2 p -118.63 -29.68 5.34 Favored 'General case' 0 N--CA 1.494 1.762 0 C-N-CA 126.1 1.76 . . . . 10.0 113.439 -172.378 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1877 ' ' HIS . . . . . . . . . . . . . 3.2 p-80 -145.42 -178.49 6.1 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 119.24 0.927 . . . . 10.0 112.23 173.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1878 ' ' GLY . . . . . . . . . . . . . . . -151.52 163.49 29.95 Favored Glycine 0 N--CA 1.468 0.811 0 C-N-CA 125.135 1.35 . . . . 10.0 113.398 178.298 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1879 ' ' VAL . . . . . . . . . . . . . 11.5 t -132.44 109.79 15.29 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.421 0 C-N-CA 124.851 1.26 . . . . 10.0 110.652 178.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1880 ' ' VAL . . . . . . . . . . . . . 57.9 t -59.74 124.06 13.33 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 C-N-CA 124.671 1.188 . . . . 10.0 110.691 -177.598 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1881 ' ' ASN . . . . . . . . . . . . . 76.0 m-20 67.32 17.09 10.19 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 128.207 2.603 . . . . 10.0 116.271 -172.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1882 ' ' LYS . . . . . 0.428 ' HA ' ' HD3' ' A' 1883 ' ' PRO . 14.1 tppt? -137.68 144.8 46.08 Favored Pre-proline 0 N--CA 1.483 1.221 0 O-C-N 120.627 -1.296 . . . . 10.0 112.074 172.407 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1883 ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' 1882 ' ' LYS . 92.9 Cg_exo -55.66 141.01 84.6 Favored 'Trans proline' 0 C--O 1.239 0.558 0 C-N-CA 123.964 3.109 . . . . 10.0 114.323 -175.118 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1884 ' ' ALA . . . . . . . . . . . . . . . -123.18 149.26 44.85 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 126.956 2.102 . . . . 10.0 109.087 168.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1885 ' ' THR . . . . . . . . . . . . . 5.8 t -161.95 156.12 21.96 Favored 'General case' 0 N--CA 1.482 1.142 0 N-CA-C 115.243 1.571 . . . . 10.0 115.243 -168.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1886 ' ' PHE . . . . . . . . . . . . . 47.0 p90 -152.9 177.24 10.97 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 124.52 1.128 . . . . 10.0 113.314 -177.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1887 ' ' THR . . . . . . . . . . . . . 88.8 m -127.55 141.05 51.75 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.41 1.484 . . . . 10.0 110.233 -171.355 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1888 ' ' VAL . . . . . . . . . . . . . 1.2 m -137.56 63.09 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 C-N-CA 127.775 2.43 . . . . 10.0 108.542 -175.222 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1889 ' ' ASN . . . . . . . . . . . . . 63.9 t-20 -62.04 101.62 0.23 Allowed 'General case' 0 C--N 1.317 -0.832 0 C-N-CA 128.454 2.702 . . . . 10.0 111.796 -175.489 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1890 ' ' THR . . . . . . . . . . . . . 17.0 p -66.52 -27.22 67.59 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 126.118 1.767 . . . . 10.0 114.844 179.156 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1891 ' ' LYS . . . . . . . . . . . . . 54.6 mttp 58.17 -68.22 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 127.864 2.466 . . . . 10.0 113.438 -170.396 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 29.7 t70 -140.94 8.11 2.08 Favored 'General case' 0 CA--C 1.561 1.373 0 C-N-CA 126.97 2.108 . . . . 10.0 112.782 171.206 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1893 ' ' ALA . . . . . . . . . . . . . . . -67.81 71.9 0.15 Allowed 'General case' 0 CA--C 1.555 1.139 0 C-N-CA 129.006 2.923 . . . . 10.0 113.707 178.1 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -104.28 -11.69 30.96 Favored Glycine 0 CA--C 1.543 1.814 0 C-N-CA 125.546 1.546 . . . . 10.0 116.053 176.232 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1895 ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -83.31 -20.88 33.58 Favored 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 115.329 1.604 . . . . 10.0 115.329 -170.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1896 ' ' GLY . . . . . . . . . . . . . . . -100.72 -86.82 1.94 Allowed Glycine 0 CA--C 1.528 0.864 0 C-N-CA 127.257 2.36 . . . . 10.0 113.133 -178.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1897 ' ' GLY . . . . . . . . . . . . . . . 142.36 108.65 0.69 Allowed Glycine 0 CA--C 1.526 0.742 0 N-CA-C 111.392 -0.683 . . . . 10.0 111.392 -178.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1898 ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -72.39 119.92 17.27 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.341 1.456 . . . . 10.0 109.316 170.448 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1899 ' ' SER . . . . . . . . . . . . . 59.6 m -130.49 145.61 51.88 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 127.751 2.42 . . . . 10.0 110.542 176.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1900 ' ' LEU . . . . . . . . . . . . . 4.6 pp -152.56 169.91 21.47 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 115.104 1.52 . . . . 10.0 115.104 177.18 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1901 ' ' ALA . . . . . . . . . . . . . . . -153.79 170.43 20.98 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 126.375 1.87 . . . . 10.0 112.462 168.129 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1902 ' ' ILE . . . . . . . . . . . . . 2.7 mp -121.26 139.4 48.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 125.394 1.478 . . . . 10.0 108.875 172.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1903 ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -117.46 167.34 11.36 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 127.104 2.162 . . . . 10.0 110.827 170.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1904 ' ' GLY . . . . . . . . . . . . . . . 166.5 -170.21 40.95 Favored Glycine 0 CA--C 1.541 1.713 0 O-C-N 120.938 -1.102 . . . . 10.0 112.172 -178.076 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1905 ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -69.54 -16.8 38.69 Favored 'Trans proline' 0 CA--C 1.543 0.946 0 C-N-CA 123.554 2.836 . . . . 10.0 113.653 168.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1906 ' ' SER . . . . . . . . . . . . . 23.0 t -146.63 174.49 11.38 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 127.574 2.35 . . . . 10.0 110.357 -168.064 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1907 ' ' LYS . . . . . . . . . . . . . 58.3 mtmt -126.94 107.38 10.03 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.423 1.489 . . . . 10.0 111.721 -170.376 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1908 ' ' ALA . . . . . . . . . . . . . . . -69.8 160.82 31.02 Favored 'General case' 0 CA--C 1.557 1.239 0 C-N-CA 126.922 2.089 . . . . 10.0 113.741 -178.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1909 ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -86.23 96.84 10.07 Favored 'General case' 0 C--O 1.238 0.468 0 O-C-N 121.066 -1.021 . . . . 10.0 110.535 171.208 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1910 ' ' ILE . . . . . . . . . . . . . 58.2 mt -87.26 139.47 17.28 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 126.086 1.754 . . . . 10.0 111.035 -175.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1911 ' ' SER . . . . . . . . . . . . . 8.1 t -150.62 172.64 15.21 Favored 'General case' 0 CA--C 1.557 1.231 0 C-N-CA 125.784 1.633 . . . . 10.0 111.182 172.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1912 ' ' CYS . . . . . . . . . . . . . 30.4 p -137.78 161.45 36.54 Favored 'General case' 0 N--CA 1.479 1.007 0 O-C-N 119.797 -1.814 . . . . 10.0 112.815 -176.211 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1913 ' ' THR . . . . . . . . . . . . . 26.8 m -102.76 114.53 28.86 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.23 1.412 . . . . 10.0 111.174 -170.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1914 ' ' ASP . . . . . . . . . . . . . 36.5 m-20 -65.77 115.46 5.93 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 124.619 1.167 . . . . 10.0 111.84 170.399 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1915 ' ' ASN . . . . . . . . . . . . . 49.4 t-20 -147.23 142.55 27.36 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.692 1.197 . . . . 10.0 111.131 175.415 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1916 ' ' GLN . . . . . . . . . . . . . 29.9 tp60 -68.25 -12.77 61.55 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 124.939 1.296 . . . . 10.0 113.364 176.347 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1917 ' ' ASP . . . . . . . . . . . . . 20.5 t70 -72.9 -14.79 61.55 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 125.202 1.401 . . . . 10.0 113.682 178.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1918 ' ' GLY . . . . . . . . . . . . . . . 82.59 12.18 80.62 Favored Glycine 0 CA--C 1.534 1.232 0 C-N-CA 125.47 1.509 . . . . 10.0 115.447 171.395 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1919 ' ' THR . . . . . . . . . . . . . 61.1 p -64.39 168.69 5.44 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 125.263 1.425 . . . . 10.0 112.087 171.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1920 ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -115.81 36.2 4.11 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.761 0.824 . . . . 10.0 111.52 173.497 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1921 ' ' SER . . . . . . . . . . . . . 72.3 m -55.35 123.55 14.2 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 124.797 1.239 . . . . 10.0 111.489 -172.253 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1922 ' ' VAL . . . . . . . . . . . . . 3.4 t -125.51 135.04 65.21 Favored 'Isoleucine or valine' 0 C--O 1.24 0.605 0 C-N-CA 124.711 1.204 . . . . 10.0 112.33 -168.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1923 ' ' SER . . . . . . . . . . . . . 65.1 p -110.3 155.74 21.67 Favored 'General case' 0 C--O 1.242 0.671 0 C-N-CA 125.08 1.352 . . . . 10.0 111.258 169.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1924 ' ' TYR . . . . . . . . . . . . . 18.9 p90 -145.84 166.6 25.46 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 125.809 1.644 . . . . 10.0 110.509 173.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1925 ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -145.18 93.99 5.36 Favored Pre-proline 0 CA--C 1.544 0.716 0 O-C-N 120.695 -1.253 . . . . 10.0 109.166 -171.28 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1926 ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -70.18 121.24 7.85 Favored 'Trans proline' 0 C--N 1.354 0.84 0 C-N-CA 123.064 2.51 . . . . 10.0 110.982 -179.105 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1927 ' ' VAL . . . . . . . . . . . . . 26.9 m -78.32 -18.39 13.59 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 N-CA-C 113.946 1.091 . . . . 10.0 113.946 176.058 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1928 ' ' LEU . . . . . . . . . . . . . 22.6 mt -141.52 156.39 66.74 Favored Pre-proline 0 CA--C 1.551 1.0 0 C-N-CA 126.023 1.729 . . . . 10.0 111.704 179.232 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1929 ' ' PRO . . . . . . . . . . . . . 8.9 Cg_exo -62.03 159.87 32.38 Favored 'Trans proline' 0 C--N 1.357 0.974 0 C-N-CA 123.643 2.895 . . . . 10.0 113.334 174.205 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1930 ' ' GLY . . . . . . . . . . . . . . . 161.07 179.0 35.53 Favored Glycine 0 CA--C 1.534 1.26 0 N-CA-C 115.137 0.815 . . . . 10.0 115.137 174.229 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1931 ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -99.09 77.21 2.15 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 126.981 2.113 . . . . 10.0 109.679 173.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1932 ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -73.36 158.02 35.84 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.365 0.666 . . . . 10.0 110.607 -176.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1933 ' ' SER . . . . . . . . . . . . . 44.2 t -128.05 141.98 51.35 Favored 'General case' 0 N--CA 1.477 0.89 0 O-C-N 120.462 -1.399 . . . . 10.0 111.167 177.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1934 ' ' ILE . . . . . . . . . . . . . 2.2 mm -113.07 104.37 16.92 Favored 'Isoleucine or valine' 0 C--N 1.345 0.395 0 C-N-CA 125.238 1.415 . . . . 10.0 109.126 -176.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1935 ' ' LEU . . . . . . . . . . . . . 2.9 mm? -92.23 98.11 11.31 Favored 'General case' 0 C--N 1.317 -0.822 0 C-N-CA 126.131 1.772 . . . . 10.0 108.109 -176.537 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1936 ' ' VAL . . . . . . . . . . . . . 21.2 t -108.9 132.63 56.4 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.284 0 CA-C-N 118.653 0.661 . . . . 10.0 110.72 178.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1937 ' ' LYS . . . . . . . . . . . . . 82.9 mttt -124.78 154.67 40.58 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 128.421 2.688 . . . . 10.0 112.341 179.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1938 ' ' TYR . . . . . . . . . . . . . 35.2 t80 -145.44 120.57 10.13 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.241 1.417 . . . . 10.0 109.914 168.185 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1939 ' ' ASN . . . . . . . . . . . . . 1.3 t30 52.2 73.07 0.35 Allowed 'General case' 0 CA--C 1.554 1.125 0 C-N-CA 125.703 1.601 . . . . 10.0 112.359 -173.164 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1940 ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 69.86 -16.72 0.27 Allowed 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 129.816 3.246 . . . . 10.0 117.178 173.345 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1941 ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -132.77 160.62 36.31 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 125.206 1.403 . . . . 10.0 111.933 -172.285 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1942 ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -65.41 146.33 55.02 Favored 'General case' 0 C--O 1.242 0.661 0 N-CA-C 114.426 1.269 . . . . 10.0 114.426 -173.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1943 ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -67.79 166.41 23.23 Favored Pre-proline 0 N--CA 1.474 0.752 0 C-N-CA 128.609 2.763 . . . . 10.0 112.923 -177.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1944 ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -57.91 108.67 0.4 Allowed 'Trans proline' 0 CA--C 1.549 1.225 0 C-N-CA 124.472 3.448 . . . . 10.0 111.563 177.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1945 ' ' GLY . . . . . . . . . . . . . . . 92.27 -5.54 78.05 Favored Glycine 0 CA--C 1.546 2.023 0 C-N-CA 126.304 1.907 . . . . 10.0 116.4 -179.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1946 ' ' SER . . . . . . . . . . . . . 2.0 m -67.87 161.83 63.69 Favored Pre-proline 0 CA--C 1.543 0.677 0 CA-C-N 119.325 1.563 . . . . 10.0 112.571 176.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1947 ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -73.6 170.48 70.13 Favored 'Cis proline' 0 C--N 1.357 0.979 0 C-N-CA 125.506 -0.623 . . . . 10.0 113.1 -10.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1948 ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -111.27 164.56 12.77 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.058 0.943 . . . . 10.0 111.424 175.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1949 ' ' THR . . . . . . . . . . . . . 86.6 m -141.29 126.65 18.69 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 125.304 1.442 . . . . 10.0 109.922 -179.331 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1950 ' ' ALA . . . . . . . . . . . . . . . -125.65 114.03 18.15 Favored 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 125.902 1.681 . . . . 10.0 111.5 -171.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1951 ' ' ARG . . . . . . . . . . . . . 18.9 ttp-105 -80.31 94.65 6.15 Favored 'General case' 0 N--CA 1.482 1.148 0 CA-C-O 122.953 1.359 . . . . 10.0 112.055 176.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1952 ' ' VAL . . . . . . . . . . . . . 2.8 t -59.0 109.77 0.41 Allowed 'Isoleucine or valine' 0 C--O 1.242 0.706 0 C-N-CA 125.684 1.594 . . . . 10.0 110.793 166.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1953 ' ' THR . . . . . . . . . . . . . 33.9 p -58.15 -68.92 0.2 Allowed 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 126.068 1.747 . . . . 10.0 114.555 -168.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1954 ' ' GLY . . . . . . . . . . . . . . . 90.03 148.84 20.67 Favored Glycine 0 CA--C 1.529 0.925 0 C-N-CA 127.505 2.479 . . . . 10.0 114.956 -179.214 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1955 ' ' ASP . . . . . . . . . . . . . 27.1 t70 -82.11 -20.0 38.97 Favored 'General case' 0 CA--C 1.552 1.028 0 C-N-CA 124.36 1.064 . . . . 10.0 112.331 179.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1956 ' ' ASP . . . . . . . . . . . . . 35.2 t70 . . . . . 0 C--O 1.259 1.564 0 C-N-CA 124.999 1.32 . . . . 10.0 112.628 -176.999 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.514 0 N-CA-C 111.013 -0.835 . . . . 10.0 111.013 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' -3' ' ' ALA . . . . . . . . . . . . . . . -67.68 -177.68 0.81 Allowed 'General case' 0 CA--C 1.554 1.106 0 C-N-CA 125.387 1.475 . . . . 10.0 113.572 174.267 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 10.2 tpt -63.09 -21.5 66.22 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 124.778 1.231 . . . . 10.0 113.522 176.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -1' ' ' VAL . . . . . . . . . . . . . 30.9 m -135.4 178.51 5.19 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 C-N-CA 128.019 2.528 . . . . 10.0 111.65 175.057 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1863 ' ' VAL . . . . . . . . . . . . . 27.6 m -62.77 168.19 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 125.957 1.703 . . . . 10.0 113.15 174.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1864 ' ' ASN . . . . . . . . . . . . . 40.0 t30 -61.82 112.44 2.29 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 124.722 1.209 . . . . 10.0 113.664 178.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1865 ' ' CYS . . . . . . . . . . . . . 94.1 m -116.19 8.94 14.5 Favored 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 126.202 1.801 . . . . 10.0 113.886 -175.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1866 ' ' GLY . . . . . . . . . . . . . . . -65.23 166.34 33.68 Favored Glycine 0 N--CA 1.473 1.119 0 C-N-CA 125.7 1.619 . . . . 10.0 116.395 -174.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1867 ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -74.88 169.07 18.68 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.366 1.466 . . . . 10.0 113.156 178.352 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1868 ' ' VAL . . . . . . . . . . . . . 9.1 p -67.65 109.78 1.65 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 124.866 1.267 . . . . 10.0 112.95 178.029 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1869 ' ' THR . . . . . . . . . . . . . 5.7 m -161.49 138.76 8.78 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 128.582 2.753 . . . . 10.0 108.62 171.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1870 ' ' ALA . . . . . . . . . . . . . . . -74.41 146.76 42.65 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 113.095 0.776 . . . . 10.0 113.095 -178.162 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1871 ' ' TYR . . . . . . . . . . . . . 26.8 p90 -153.53 147.64 25.66 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.69 1.596 . . . . 10.0 112.128 172.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1872 ' ' GLY . . . . . . . . . . . . . . . 156.21 172.47 23.66 Favored Glycine 0 CA--C 1.534 1.276 0 C-N-CA 124.261 0.934 . . . . 10.0 114.149 -176.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1873 ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -70.36 -35.69 10.48 Favored 'Trans proline' 0 N--CA 1.471 0.192 0 C-N-CA 122.597 2.198 . . . . 10.0 112.988 -171.201 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1874 ' ' GLY . . . . . . . . . . . . . . . -68.24 -22.8 74.7 Favored Glycine 0 C--N 1.356 1.683 0 O-C-N 120.775 -1.203 . . . . 10.0 115.046 -174.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1875 ' ' LEU . . . . . . . . . . . . . 50.1 mt -71.35 -15.33 62.38 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 114.121 1.156 . . . . 10.0 114.121 -174.1 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1876 ' ' THR . . . . . . . . . . . . . 42.1 p -114.14 -45.23 3.07 Favored 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 124.797 1.239 . . . . 10.0 111.295 177.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1877 ' ' HIS . . . . . . . . . . . . . 47.9 m80 -134.14 113.94 12.59 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 124.422 1.089 . . . . 10.0 110.53 -178.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1878 ' ' GLY . . . . . . . . . . . . . . . -83.01 -178.27 52.29 Favored Glycine 0 CA--C 1.552 2.365 0 C-N-CA 125.254 1.407 . . . . 10.0 112.749 173.321 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1879 ' ' VAL . . . . . . . . . . . . . 21.7 t -145.39 103.25 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 N-CA-C 106.306 -1.738 . . . . 10.0 106.306 177.278 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1880 ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -65.74 142.04 17.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 C-N-CA 119.568 -0.853 . . . . 10.0 111.372 -169.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1881 ' ' ASN . . . . . . . . . . . . . 68.5 m-80 62.45 10.39 3.95 Favored 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 126.017 1.727 . . . . 10.0 115.578 -173.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1882 ' ' LYS . . . . . 0.403 ' HA ' ' HD3' ' A' 1883 ' ' PRO . 0.4 OUTLIER -128.12 141.54 41.61 Favored Pre-proline 0 N--CA 1.494 1.758 0 CA-C-N 120.533 1.515 . . . . 10.0 111.322 169.886 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A 1883 ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' 1882 ' ' LYS . 81.4 Cg_exo -51.74 121.77 9.22 Favored 'Trans proline' 0 CA--C 1.535 0.553 0 C-N-CA 123.74 2.96 . . . . 10.0 114.196 -175.286 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1884 ' ' ALA . . . . . . . . . . . . . . . -93.94 155.32 17.22 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 125.744 1.617 . . . . 10.0 111.003 169.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1885 ' ' THR . . . . . . . . . . . . . 37.4 p -149.89 150.57 32.12 Favored 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 114.239 1.199 . . . . 10.0 114.239 -169.05 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1886 ' ' PHE . . . . . . . . . . . . . 37.3 p90 -151.76 174.86 13.02 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 126.156 1.783 . . . . 10.0 111.421 168.047 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1887 ' ' THR . . . . . . . . . . . . . 94.6 m -126.69 145.01 50.75 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 126.81 2.044 . . . . 10.0 111.438 175.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1888 ' ' VAL . . . . . 0.899 HG12 ' HB3' ' A' 1920 ' ' CYS 0.398 2.5 p -136.72 94.17 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 CA-C-O 122.758 1.266 . . . . 10.0 112.411 177.592 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A 1889 ' ' ASN . . . . . . . . . . . . . 2.2 t30 -68.97 102.45 1.6 Allowed 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 128.133 2.573 . . . . 10.0 110.531 -177.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1890 ' ' THR . . . . . . . . . . . . . 26.4 p -77.08 8.51 3.82 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 115.881 1.808 . . . . 10.0 115.881 179.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1891 ' ' LYS . . . . . . . . . . . . . 89.8 mttt -60.95 150.38 33.52 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-N 120.471 1.487 . . . . 10.0 112.027 179.319 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 18.2 t70 60.84 -8.59 0.07 Allowed 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 129.446 3.098 . . . . 10.0 116.139 179.512 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1893 ' ' ALA . . . . . . . . . . . . . . . -65.66 -24.16 66.96 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 127.279 2.232 . . . . 10.0 115.405 179.001 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . 88.15 -118.76 5.15 Favored Glycine 0 CA--C 1.537 1.457 0 C-N-CA 125.525 1.536 . . . . 10.0 111.592 -171.313 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1895 ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -148.16 112.04 5.12 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.982 1.713 . . . . 10.0 110.661 177.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1896 ' ' GLY . . . . . . . . . . . . . . . -139.85 -13.41 0.62 Allowed Glycine 0 CA--C 1.544 1.852 0 N-CA-C 117.15 1.62 . . . . 10.0 117.15 -176.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1897 ' ' GLY . . . . . . . . . . . . . . . 79.6 92.52 0.38 Allowed Glycine 0 N--CA 1.479 1.56 0 CA-C-N 119.353 1.577 . . . . 10.0 111.265 -177.451 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1898 ' ' LEU . . . . . . . . . . . . . 5.6 tt -75.69 135.11 40.4 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 124.485 1.114 . . . . 10.0 110.39 177.185 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1899 ' ' SER . . . . . . . . . . . . . 39.2 m -135.5 153.19 51.81 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 126.52 1.928 . . . . 10.0 112.103 -179.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1900 ' ' LEU . . . . . 0.724 HD11 HG21 ' A' 1922 ' ' VAL . 67.2 mt -124.78 161.23 26.89 Favored 'General case' 0 C--O 1.239 0.51 0 N-CA-C 114.236 1.198 . . . . 10.0 114.236 175.153 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1901 ' ' ALA . . . . . . . . . . . . . . . -151.37 162.14 41.45 Favored 'General case' 0 CA--C 1.557 1.219 0 C-N-CA 126.469 1.907 . . . . 10.0 108.94 164.25 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1902 ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -131.1 140.76 47.79 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.096 0 C-N-CA 124.61 1.164 . . . . 10.0 109.714 174.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1903 ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -122.68 168.13 12.58 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 126.81 2.044 . . . . 10.0 110.359 170.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1904 ' ' GLY . . . . . . . . . . . . . . . 155.13 -161.46 30.41 Favored Glycine 0 CA--C 1.541 1.714 0 C-N-CA 125.329 1.443 . . . . 10.0 112.606 -173.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1905 ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -71.38 -20.69 27.33 Favored 'Trans proline' 0 CA--C 1.545 1.03 0 CA-C-N 119.646 1.723 . . . . 10.0 112.126 170.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1906 ' ' SER . . . . . . . . . . . . . 8.5 t -155.98 -176.54 6.01 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 129.926 3.29 . . . . 10.0 108.013 -168.149 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1907 ' ' LYS . . . . . . . . . . . . . 56.1 mttm -134.11 173.46 11.57 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 125.56 1.544 . . . . 10.0 112.636 -173.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1908 ' ' ALA . . . . . . . . . . . . . . . -133.33 153.91 51.17 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 126.32 1.848 . . . . 10.0 112.547 -173.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1909 ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -75.9 89.03 2.91 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.492 0.717 . . . . 10.0 111.571 176.244 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1910 ' ' ILE . . . . . . . . . . . . . 32.8 mt -64.46 113.14 1.65 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 123.714 0.806 . . . . 10.0 111.315 177.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1911 ' ' SER . . . . . . . . . . . . . 71.0 m -130.95 92.48 3.23 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.887 1.675 . . . . 10.0 112.128 173.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1912 ' ' CYS . . . . . . . . . . . . . 34.6 m -63.83 159.29 19.87 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 124.88 1.272 . . . . 10.0 111.103 168.158 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1913 ' ' THR . . . . . 0.502 ' HB ' ' HB3' ' A' 1921 ' ' SER . 22.3 m -132.55 93.16 3.18 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 121.522 -0.736 . . . . 10.0 109.486 167.8 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1914 ' ' ASP . . . . . . . . . . . . . 28.0 t70 -54.36 126.28 22.67 Favored 'General case' 0 CA--C 1.554 1.096 0 C-N-CA 126.467 1.907 . . . . 10.0 112.289 -178.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1915 ' ' ASN . . . . . . . . . . . . . 63.3 t-20 -136.28 130.98 33.83 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 125.914 1.686 . . . . 10.0 109.535 177.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1916 ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -60.94 -9.5 4.33 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 114.364 1.246 . . . . 10.0 114.364 174.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1917 ' ' ASP . . . . . . . . . . . . . 24.9 t70 -70.17 -10.68 59.58 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 124.797 1.239 . . . . 10.0 112.261 169.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1918 ' ' GLY . . . . . . . . . . . . . . . 88.9 38.1 7.03 Favored Glycine 0 CA--C 1.536 1.386 0 C-N-CA 126.037 1.78 . . . . 10.0 114.559 176.225 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1919 ' ' THR . . . . . . . . . . . . . 75.2 p -126.68 144.99 50.75 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 125.235 1.414 . . . . 10.0 113.146 -175.041 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1920 ' ' CYS . . . . . 0.899 ' HB3' HG12 ' A' 1888 ' ' VAL . 9.7 p -79.15 -24.18 43.48 Favored 'General case' 0 N--CA 1.483 1.177 0 N-CA-C 115.724 1.75 . . . . 10.0 115.724 -175.023 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1921 ' ' SER . . . . . 0.502 ' HB3' ' HB ' ' A' 1913 ' ' THR . 22.9 t 22.63 58.0 0.03 OUTLIER 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 130.586 3.555 . . . . 10.0 112.416 -164.661 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1922 ' ' VAL . . . . . 0.724 HG21 HD11 ' A' 1900 ' ' LEU . 75.6 t -78.06 103.83 5.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 125.819 1.648 . . . . 10.0 109.932 -175.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1923 ' ' SER . . . . . . . . . . . . . 74.4 m -96.21 111.52 23.55 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.472 1.109 . . . . 10.0 109.294 168.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1924 ' ' TYR . . . . . . . . . . . . . 13.8 p90 -120.33 163.35 17.96 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.648 1.179 . . . . 10.0 110.243 178.465 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1925 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -142.74 93.14 6.89 Favored Pre-proline 0 CA--C 1.554 1.118 0 O-C-N 121.017 -1.052 . . . . 10.0 112.683 -171.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1926 ' ' PRO . . . . . . . . . . . . . 86.8 Cg_endo -72.41 152.63 55.06 Favored 'Trans proline' 0 CA--C 1.536 0.6 0 C-N-CA 123.866 3.044 . . . . 10.0 111.606 176.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1927 ' ' VAL . . . . . . . . . . . . . 35.1 m -122.35 -15.55 6.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 N-CA-C 115.797 1.776 . . . . 10.0 115.797 -168.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1928 ' ' LEU . . . . . . . . . . . . . 6.0 tt -140.03 122.88 10.19 Favored Pre-proline 0 CA--C 1.549 0.906 0 C-N-CA 124.715 1.206 . . . . 10.0 112.263 179.416 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1929 ' ' PRO . . . . . . . . . . . . . 88.0 Cg_exo -46.59 127.91 12.21 Favored 'Trans proline' 0 CA--C 1.537 0.654 0 C-N-CA 125.101 3.867 . . . . 10.0 114.218 -176.159 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1930 ' ' GLY . . . . . . . . . . . . . . . 179.05 178.66 48.4 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 115.174 0.829 . . . . 10.0 115.174 -170.04 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1931 ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -95.19 106.02 18.0 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.138 1.375 . . . . 10.0 110.222 172.157 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1932 ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -101.08 105.92 17.14 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.884 1.274 . . . . 10.0 109.441 -175.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1933 ' ' SER . . . . . . . . . . . . . 67.5 m -79.23 117.98 20.74 Favored 'General case' 0 N--CA 1.478 0.927 0 O-C-N 121.542 -0.724 . . . . 10.0 110.875 174.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1934 ' ' ILE . . . . . . . . . . . . . 7.0 mm -80.52 123.8 37.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 N-CA-C 107.445 -1.317 . . . . 10.0 107.445 170.142 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1935 ' ' LEU . . . . . . . . . . . . . 3.0 mm? -97.58 91.18 5.31 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 126.063 1.745 . . . . 10.0 108.389 170.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1936 ' ' VAL . . . . . . . . . . . . . 37.3 t -86.61 130.85 36.08 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 N-CA-C 108.767 -0.827 . . . . 10.0 108.767 174.247 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1937 ' ' LYS . . . . . . . . . . . . . 98.4 mttt -127.92 139.47 52.58 Favored 'General case' 0 C--O 1.232 0.162 0 C-N-CA 125.261 1.424 . . . . 10.0 111.742 -176.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1938 ' ' TYR . . . . . . . . . . . . . 25.0 t80 -126.73 115.36 19.29 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 125.358 1.463 . . . . 10.0 109.347 171.037 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1939 ' ' ASN . . . . . . . . . . . . . 8.6 t-20 52.64 57.51 6.32 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 126.038 1.735 . . . . 10.0 112.722 -170.208 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1940 ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 63.02 -8.18 0.13 Allowed 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 128.629 2.772 . . . . 10.0 117.374 178.246 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1941 ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -101.16 144.43 30.06 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.455 1.502 . . . . 10.0 110.267 176.298 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1942 ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -68.1 148.58 50.76 Favored 'General case' 0 CA--C 1.542 0.655 0 O-C-N 121.354 -0.841 . . . . 10.0 112.306 -177.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1943 ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -68.45 166.98 20.85 Favored Pre-proline 0 CA--C 1.546 0.822 0 C-N-CA 126.488 1.915 . . . . 10.0 113.195 -177.242 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1944 ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -64.5 -8.14 16.31 Favored 'Trans proline' 0 C--N 1.354 0.855 1 C-N-CA 126.341 4.694 . . . . 10.0 117.616 -173.123 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1945 ' ' GLY . . . . . . . . . . . . . . . -127.13 -4.22 6.03 Favored Glycine 0 CA--C 1.534 1.267 0 C-N-CA 127.688 2.565 . . . . 10.0 115.191 178.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1946 ' ' SER . . . . . . . . . . . . . 5.4 m -71.07 148.76 94.45 Favored Pre-proline 0 N--CA 1.481 1.107 0 CA-C-N 119.565 1.683 . . . . 10.0 113.188 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1947 ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -74.85 161.46 94.74 Favored 'Cis proline' 0 C--N 1.363 1.301 0 CA-C-N 119.567 0.881 . . . . 10.0 111.363 -4.296 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1948 ' ' PHE . . . . . . . . . . . . . 81.0 m-85 -109.9 96.36 6.19 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 124.508 1.123 . . . . 10.0 109.162 173.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1949 ' ' THR . . . . . . . . . . . . . 17.6 m -79.22 86.77 4.97 Favored 'General case' 0 C--O 1.241 0.643 0 C-N-CA 125.765 1.626 . . . . 10.0 110.527 -175.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1950 ' ' ALA . . . . . . . . . . . . . . . -75.3 152.06 38.25 Favored 'General case' 0 N--CA 1.446 -0.643 0 C-N-CA 123.866 0.867 . . . . 10.0 111.005 173.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1951 ' ' ARG . . . . . . . . . . . . . 53.6 ttt85 -122.79 96.52 5.05 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-O 121.963 0.887 . . . . 10.0 111.5 173.517 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1952 ' ' VAL . . . . . . . . . . . . . 6.2 t -67.11 106.66 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.314 -0.952 0 C-N-CA 131.08 3.752 . . . . 10.0 111.714 176.101 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1953 ' ' THR . . . . . . . . . . . . . 68.1 p -80.01 153.89 28.55 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 124.498 1.119 . . . . 10.0 111.845 -178.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1954 ' ' GLY . . . . . . . . . . . . . . . -82.8 46.9 3.69 Favored Glycine 0 N--CA 1.468 0.784 0 C-N-CA 126.704 2.097 . . . . 10.0 113.156 -178.44 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1955 ' ' ASP . . . . . . . . . . . . . 27.0 t70 -63.62 -32.6 74.12 Favored 'General case' 0 N--CA 1.48 1.07 0 O-C-N 121.277 -1.131 . . . . 10.0 113.94 -175.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1956 ' ' ASP . . . . . . . . . . . . . 33.6 t70 . . . . . 0 C--O 1.253 1.283 0 C-N-CA 126.131 1.773 . . . . 10.0 113.141 -179.269 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.379 0 N-CA-C 111.981 -0.447 . . . . 10.0 111.981 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' -3' ' ' ALA . . . . . . . . . . . . . . . -69.09 169.81 11.18 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 124.476 1.11 . . . . 10.0 113.85 175.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 11.9 tpt -147.51 157.1 43.42 Favored 'General case' 0 C--O 1.24 0.567 0 C-N-CA 125.914 1.686 . . . . 10.0 110.881 176.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -1' ' ' VAL . . . . . . . . . . . . . 9.1 p -61.32 153.29 5.52 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 C-N-CA 125.267 1.427 . . . . 10.0 112.504 177.688 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1863 ' ' VAL . . . . . . . . . . . . . 31.6 m -110.42 162.69 7.83 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 C-N-CA 125.416 1.487 . . . . 10.0 112.804 -178.368 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1864 ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -101.8 -13.51 17.67 Favored 'General case' 0 CA--C 1.548 0.885 0 N-CA-C 114.488 1.292 . . . . 10.0 114.488 -172.249 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1865 ' ' CYS . . . . . . . . . . . . . 37.2 t -56.23 109.32 0.58 Allowed 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 126.01 1.724 . . . . 10.0 113.613 -174.122 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1866 ' ' GLY . . . . . . . . . . . . . . . -104.42 100.16 1.77 Allowed Glycine 0 CA--C 1.535 1.314 0 C-N-CA 125.089 1.328 . . . . 10.0 112.468 176.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1867 ' ' HIS . . . . . . . . . . . . . 18.3 p-80 -53.8 126.37 21.89 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.93 0.892 . . . . 10.0 112.724 178.337 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1868 ' ' VAL . . . . . . . . . . . . 0.285 8.9 p 47.14 35.39 0.24 Allowed 'Isoleucine or valine' 0 CA--C 1.554 1.128 0 C-N-CA 128.622 2.769 . . . . 10.0 115.016 177.38 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1869 ' ' THR . . . . . . . . . . . . . 3.3 m -143.2 133.41 24.49 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 125.494 1.518 . . . . 10.0 107.477 172.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1870 ' ' ALA . . . . . . . . . . . . . . . -72.13 155.57 40.12 Favored 'General case' 0 CA--C 1.549 0.904 0 CA-C-O 122.184 0.993 . . . . 10.0 112.012 -176.147 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1871 ' ' TYR . . . . . . . . . . . . . 20.2 p90 -148.74 152.41 36.55 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 126.816 2.046 . . . . 10.0 110.98 175.523 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1872 ' ' GLY . . . . . . . . . . . . . . . 142.44 168.71 11.89 Favored Glycine 0 N--CA 1.474 1.209 0 C-N-CA 125.214 1.388 . . . . 10.0 112.629 -176.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1873 ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo -70.55 -29.58 19.87 Favored 'Trans proline' 0 C--N 1.35 0.657 0 C-N-CA 123.1 2.533 . . . . 10.0 113.57 -178.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1874 ' ' GLY . . . . . . . . . . . . . . . -66.01 -12.9 58.68 Favored Glycine 0 C--N 1.35 1.333 0 N-CA-C 116.396 1.318 . . . . 10.0 116.396 -176.336 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1875 ' ' LEU . . . . . . . . . . . . . 18.7 mt -87.45 -14.91 39.19 Favored 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 113.286 0.847 . . . . 10.0 113.286 177.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1876 ' ' THR . . . . . . . . . . . . . 42.2 p -127.72 -31.4 2.45 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 125.173 1.389 . . . . 10.0 113.258 -174.257 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1877 ' ' HIS . . . . . . . . . . . . . 27.1 m-70 -138.06 -178.58 5.33 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 127.045 2.138 . . . . 10.0 111.691 173.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1878 ' ' GLY . . . . . . . . . . . . . . . -166.7 175.31 42.05 Favored Glycine 0 CA--C 1.537 1.444 0 C-N-CA 124.406 1.003 . . . . 10.0 112.78 179.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1879 ' ' VAL . . . . . . . . . . . . . 9.1 t -133.23 117.64 29.24 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 124.708 1.203 . . . . 10.0 110.073 172.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1880 ' ' VAL . . . . . 0.434 HG23 HG12 ' A' 1952 ' ' VAL . 72.8 t -61.39 135.95 25.48 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.25 0 C-N-CA 123.779 0.832 . . . . 10.0 110.123 179.57 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1881 ' ' ASN . . . . . . . . . . . . . 80.1 m-20 54.34 21.43 3.18 Favored 'General case' 0 CA--C 1.553 1.075 0 N-CA-C 116.568 2.062 . . . . 10.0 116.568 -176.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1882 ' ' LYS . . . . . . . . . . . . . 14.8 tppt? -135.09 144.22 49.24 Favored Pre-proline 0 CA--C 1.549 0.909 0 C-N-CA 125.103 1.361 . . . . 10.0 109.433 168.36 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1883 ' ' PRO . . . . . . . . . . . . . 67.7 Cg_exo -56.67 135.64 71.64 Favored 'Trans proline' 0 CA--C 1.54 0.776 0 C-N-CA 123.506 2.804 . . . . 10.0 114.48 -168.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1884 ' ' ALA . . . . . . . . . . . . . . . -111.45 145.61 38.67 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.048 1.339 . . . . 10.0 111.204 172.011 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1885 ' ' THR . . . . . . . . . . . . . 71.1 p -148.99 159.3 44.34 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 125.639 1.576 . . . . 10.0 113.94 -170.251 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1886 ' ' PHE . . . . . . . . . . . . . 31.9 p90 -154.93 175.85 13.26 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 126.824 2.05 . . . . 10.0 111.896 167.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1887 ' ' THR . . . . . . . . . . . . . 55.4 m -134.1 145.54 49.44 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 127.386 2.274 . . . . 10.0 109.421 -174.316 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1888 ' ' VAL . . . . . 0.458 HG12 ' CB ' ' A' 1920 ' ' CYS . 10.2 p -149.49 86.33 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 CA-C-N 120.298 1.408 . . . . 10.0 114.329 -179.143 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1889 ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -84.0 111.39 19.24 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.536 1.134 . . . . 10.0 113.597 -169.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1890 ' ' THR . . . . . . . . . . . . . 22.9 p -90.57 98.02 11.53 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 126.647 1.979 . . . . 10.0 111.115 -178.267 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1891 ' ' LYS . . . . . . . . . . . . . 5.4 mtpm? -91.66 -85.96 0.23 Allowed 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 126.173 1.789 . . . . 10.0 111.322 -178.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 33.4 t70 -75.57 -31.82 60.14 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.562 1.145 . . . . 10.0 113.516 -171.051 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1893 ' ' ALA . . . . . . . . . . . . . . . -70.24 -27.28 64.33 Favored 'General case' 0 CA--C 1.55 0.977 0 N-CA-C 114.849 1.426 . . . . 10.0 114.849 -170.171 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . 157.78 -176.68 34.81 Favored Glycine 0 CA--C 1.527 0.8 0 C-N-CA 124.724 1.154 . . . . 10.0 112.845 -175.321 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1895 ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -79.76 1.57 26.18 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 115.404 1.631 . . . . 10.0 115.404 -170.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1896 ' ' GLY . . . . . . . . . . . . . . . 104.54 70.41 0.8 Allowed Glycine 0 CA--C 1.534 1.271 0 C-N-CA 125.792 1.663 . . . . 10.0 112.01 178.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1897 ' ' GLY . . . . . . . . . . . . . . . -108.94 8.6 33.76 Favored Glycine 0 CA--C 1.539 1.537 0 C-N-CA 125.8 1.667 . . . . 10.0 114.406 177.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1898 ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.74 166.16 15.83 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.417 1.487 . . . . 10.0 113.611 -178.632 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1899 ' ' SER . . . . . . . . . . . . . 4.9 t -154.74 165.53 36.3 Favored 'General case' 0 N--CA 1.476 0.855 0 O-C-N 120.812 -1.18 . . . . 10.0 111.995 176.36 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1900 ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -160.76 168.21 25.27 Favored 'General case' 0 N--CA 1.441 -0.918 0 C-N-CA 124.101 0.96 . . . . 10.0 113.531 -167.176 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1901 ' ' ALA . . . . . . . . . . . . . . . -150.59 167.56 26.91 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 126.023 1.729 . . . . 10.0 111.012 169.178 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1902 ' ' ILE . . . . . . . . . . . . . 3.6 mp -123.01 125.88 72.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 C-N-CA 126.011 1.724 . . . . 10.0 108.931 172.214 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1903 ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -123.35 175.68 6.58 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 127.297 2.239 . . . . 10.0 110.888 173.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1904 ' ' GLY . . . . . . . . . . . . . . . 166.25 -154.99 25.92 Favored Glycine 0 CA--C 1.542 1.758 0 O-C-N 120.944 -1.097 . . . . 10.0 111.041 -176.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1905 ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -71.33 -13.41 30.66 Favored 'Trans proline' 0 CA--C 1.537 0.63 0 C-N-CA 122.359 2.039 . . . . 10.0 113.028 170.142 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1906 ' ' SER . . . . . . . . . . . . . 14.4 t -153.24 170.62 20.14 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 128.699 2.8 . . . . 10.0 109.635 -169.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1907 ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -91.55 166.28 12.91 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-O 122.056 0.931 . . . . 10.0 112.026 176.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1908 ' ' ALA . . . . . . . . . . . . . . . -139.27 119.98 14.21 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 126.002 1.721 . . . . 10.0 108.62 172.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1909 ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -62.76 122.99 17.27 Favored 'General case' 0 N--CA 1.468 0.465 0 O-C-N 120.792 -1.192 . . . . 10.0 110.361 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1910 ' ' ILE . . . . . . . . . . . . . 47.2 mt -100.13 133.85 41.74 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 C-N-CA 124.471 1.108 . . . . 10.0 111.019 -173.38 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1911 ' ' SER . . . . . . . . . . . . . 38.9 m -125.29 157.92 35.44 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 126.331 1.852 . . . . 10.0 112.418 170.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1912 ' ' CYS . . . . . . . . . . . . . 29.9 p -141.8 179.41 6.87 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 127.187 2.195 . . . . 10.0 110.709 176.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1913 ' ' THR . . . . . . . . . . . . . 30.1 m -136.95 156.98 47.76 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 127.066 2.146 . . . . 10.0 110.668 179.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1914 ' ' ASP . . . . . . . . . . . . . 8.5 t70 -60.1 104.29 0.3 Allowed 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 124.359 1.063 . . . . 10.0 110.324 175.473 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1915 ' ' ASN . . . . . . . . . . . . . 18.8 p-10 -75.51 54.69 0.77 Allowed 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 127.495 2.318 . . . . 10.0 115.255 -167.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1916 ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -60.38 -18.39 50.04 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 124.968 1.307 . . . . 10.0 114.354 171.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1917 ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -93.93 2.03 56.2 Favored 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 126.326 1.851 . . . . 10.0 113.538 178.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1918 ' ' GLY . . . . . . . . . . . . . . . 71.53 34.69 63.21 Favored Glycine 0 CA--C 1.537 1.411 0 CA-C-N 119.448 1.022 . . . . 10.0 114.113 172.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1919 ' ' THR . . . . . . . . . . . . . 10.0 t -152.06 154.33 35.73 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.235 1.414 . . . . 10.0 112.318 179.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1920 ' ' CYS . . . . . 0.458 ' CB ' HG12 ' A' 1888 ' ' VAL . 0.5 OUTLIER -82.88 105.55 13.99 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 119.135 0.879 . . . . 10.0 111.497 179.732 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A 1921 ' ' SER . . . . . . . . . . . . . 68.6 m -79.06 59.5 2.71 Favored 'General case' 0 CA--C 1.551 0.992 0 CA-C-O 122.684 1.23 . . . . 10.0 111.843 177.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1922 ' ' VAL . . . . . . . . . . . . . 41.8 t -74.56 119.75 22.59 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 125.552 1.541 . . . . 10.0 111.493 -173.103 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1923 ' ' SER . . . . . . . . . . . . . 50.6 m -127.08 131.72 50.81 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 124.897 1.279 . . . . 10.0 110.571 176.004 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1924 ' ' TYR . . . . . . . . . . . . . 18.7 p90 -145.88 176.33 9.76 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.406 1.082 . . . . 10.0 111.169 -178.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1925 ' ' LEU . . . . . . . . . . . . . 1.3 mt -142.71 101.01 5.49 Favored Pre-proline 0 CA--C 1.557 1.219 0 C-N-CA 124.264 1.026 . . . . 10.0 109.789 -174.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1926 ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -70.86 132.17 21.06 Favored 'Trans proline' 0 C--N 1.353 0.78 0 C-N-CA 122.938 2.425 . . . . 10.0 111.741 174.139 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1927 ' ' VAL . . . . . . . . . . . . . 28.3 m -94.83 -17.17 7.18 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.392 0 N-CA-C 113.315 0.857 . . . . 10.0 113.315 -172.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1928 ' ' LEU . . . . . . . . . . . . . 15.8 mt -142.3 160.61 54.05 Favored Pre-proline 0 CA--C 1.547 0.836 0 C-N-CA 126.6 1.96 . . . . 10.0 111.101 172.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1929 ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -71.48 154.76 60.38 Favored 'Trans proline' 0 C--N 1.351 0.689 0 C-N-CA 124.079 3.186 . . . . 10.0 111.419 177.067 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1930 ' ' GLY . . . . . . . . . . . . . . . 167.53 179.14 40.14 Favored Glycine 0 CA--C 1.537 1.427 0 N-CA-C 116.288 1.275 . . . . 10.0 116.288 -175.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1931 ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -90.67 87.63 6.78 Favored 'General case' 0 C--O 1.245 0.833 0 C-N-CA 128.283 2.633 . . . . 10.0 108.602 171.068 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1932 ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -86.72 116.08 24.59 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 120.953 -1.092 . . . . 10.0 112.093 -174.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1933 ' ' SER . . . . . . . . . . . . . 61.6 m -78.39 128.5 33.73 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 123.73 0.812 . . . . 10.0 111.508 174.068 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1934 ' ' ILE . . . . . . . . . . . . . 7.8 mm -99.5 120.2 48.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 C-N-CA 126.49 1.916 . . . . 10.0 107.147 167.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1935 ' ' LEU . . . . . . . . . . . . . 2.6 mm? -106.74 66.54 0.69 Allowed 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 125.315 1.446 . . . . 10.0 110.172 -172.374 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1936 ' ' VAL . . . . . . . . . . . . . 59.7 t -74.53 133.53 31.35 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 O-C-N 121.142 -0.974 . . . . 10.0 111.746 177.123 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1937 ' ' LYS . . . . . . . . . . . . . 67.7 mttm -125.5 151.82 45.8 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 128.314 2.646 . . . . 10.0 113.402 177.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1938 ' ' TYR . . . . . . . . . . . . . 4.4 t80 -128.25 95.92 4.3 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 125.541 1.536 . . . . 10.0 109.709 169.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1939 ' ' ASN . . . . . . . . . . . . . 2.5 t30 52.51 78.4 0.13 Allowed 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 127.2 2.2 . . . . 10.0 112.648 -170.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1940 ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 70.78 -15.11 0.4 Allowed 'General case' 0 C--O 1.251 1.183 0 C-N-CA 129.764 3.226 . . . . 10.0 117.444 172.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1941 ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -118.76 147.26 44.06 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 125.949 1.7 . . . . 10.0 110.668 -177.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1942 ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -65.02 153.12 41.63 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-O 121.93 0.871 . . . . 10.0 113.289 -174.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1943 ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -71.29 167.38 30.24 Favored Pre-proline 0 CA--C 1.556 1.177 0 C-N-CA 126.492 1.917 . . . . 10.0 112.433 179.084 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1944 ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -61.67 97.19 0.14 Allowed 'Trans proline' 0 CA--C 1.536 0.617 0 C-N-CA 123.998 3.132 . . . . 10.0 112.504 -178.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1945 ' ' GLY . . . . . . . . . . . . . . . 98.88 -6.42 60.25 Favored Glycine 0 CA--C 1.539 1.583 0 CA-C-O 117.662 -1.632 . . . . 10.0 116.754 -176.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1946 ' ' SER . . . . . . . . . . . . . 39.3 m -70.04 156.09 92.37 Favored Pre-proline 0 CA--C 1.549 0.942 0 CA-C-N 119.836 1.818 . . . . 10.0 110.821 173.008 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1947 ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo -73.69 165.83 83.72 Favored 'Cis proline' 0 C--N 1.353 0.801 0 N-CA-C 114.545 0.941 . . . . 10.0 114.545 -2.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1948 ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -114.49 117.33 30.67 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 126.02 1.728 . . . . 10.0 111.808 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1949 ' ' THR . . . . . . . . . . . . . 46.5 m -92.24 97.32 10.82 Favored 'General case' 0 N--CA 1.481 1.121 0 O-C-N 120.812 -1.18 . . . . 10.0 112.177 -179.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1950 ' ' ALA . . . . . . . . . . . . . . . -83.36 152.96 24.82 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 124.501 1.12 . . . . 10.0 113.763 178.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1951 ' ' ARG . . . . . . . . . . . . . 40.9 mtt180 -123.65 83.44 2.14 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-O 123.32 1.534 . . . . 10.0 113.906 -177.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1952 ' ' VAL . . . . . 0.434 HG12 HG23 ' A' 1880 ' ' VAL . 2.8 t -60.53 100.72 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.728 0 C-N-CA 130.046 3.338 . . . . 10.0 112.368 175.296 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1953 ' ' THR . . . . . . . . . . . . . 26.0 m -67.25 132.79 48.45 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.757 1.623 . . . . 10.0 110.815 175.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1954 ' ' GLY . . . . . . . . . . . . . . . -67.03 169.16 35.89 Favored Glycine 0 CA--C 1.542 1.73 0 N-CA-C 115.941 1.136 . . . . 10.0 115.941 -179.254 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1955 ' ' ASP . . . . . . . . . . . . . 32.8 t70 -139.79 -31.89 0.65 Allowed 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.453 1.501 . . . . 10.0 112.145 176.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1956 ' ' ASP . . . . . . . . . . . . . 6.2 p-10 . . . . . 0 C--O 1.252 1.193 0 C-N-CA 126.98 2.112 . . . . 10.0 114.026 179.952 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.407 0 N-CA-C 111.634 -0.587 . . . . 10.0 111.634 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' -3' ' ' ALA . . . . . . . . . . . . . . . -67.81 166.12 16.08 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 125.275 1.43 . . . . 10.0 113.263 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 64.6 mtt -141.52 159.33 42.44 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 126.413 1.885 . . . . 10.0 112.127 178.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -1' ' ' VAL . . . . . . . . . . . . . 35.1 m -76.82 164.84 3.36 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 C-N-CA 124.677 1.191 . . . . 10.0 111.376 170.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1863 ' ' VAL . . . . . . . . . . . . . 47.2 t -77.22 104.56 5.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 124.498 1.119 . . . . 10.0 109.455 169.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1864 ' ' ASN . . . . . . . . . . . . . 11.6 p30 -64.05 154.18 35.13 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 113.748 1.018 . . . . 10.0 113.748 179.36 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1865 ' ' CYS . . . . . . . . . . . . . 81.9 m -70.58 -66.65 0.58 Allowed 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 125.375 1.47 . . . . 10.0 112.405 -175.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1866 ' ' GLY . . . . . . . . . . . . . . . 72.71 -41.13 0.82 Allowed Glycine 0 CA--C 1.54 1.598 0 C-N-CA 126.632 2.063 . . . . 10.0 116.21 178.196 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1867 ' ' HIS . . . . . . . . . . . . . 65.3 m80 -90.43 173.87 7.86 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 127.301 2.241 . . . . 10.0 112.4 -171.051 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1868 ' ' VAL . . . . . . . . . . . . . 6.0 p -44.85 128.43 1.52 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 124.79 1.236 . . . . 10.0 112.159 171.258 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1869 ' ' THR . . . . . . . . . . . . . 6.4 m -123.91 141.47 52.0 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 124.288 1.035 . . . . 10.0 109.133 -176.139 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1870 ' ' ALA . . . . . . . . . . . . . . . -122.43 127.13 49.27 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.204 1.001 . . . . 10.0 110.9 172.207 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1871 ' ' TYR . . . . . . . . . . . . . 39.1 p90 -156.05 174.49 15.28 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 126.559 1.943 . . . . 10.0 109.774 -171.127 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1872 ' ' GLY . . . . . . . . . . . . . . . 119.73 169.45 14.17 Favored Glycine 0 CA--C 1.536 1.385 0 O-C-N 121.051 -1.031 . . . . 10.0 114.57 174.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1873 ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -66.44 -29.62 44.98 Favored 'Trans proline' 0 CA--C 1.536 0.612 0 C-N-CA 122.754 2.303 . . . . 10.0 112.461 -173.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1874 ' ' GLY . . . . . . . . . . . . . . . -66.23 -0.73 8.1 Favored Glycine 0 N--CA 1.473 1.128 0 CA-C-O 118.716 -1.047 . . . . 10.0 115.399 175.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1875 ' ' LEU . . . . . . . . . . . . . 21.0 mt -107.65 -2.74 19.9 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-N 119.251 1.525 . . . . 10.0 113.74 171.308 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1876 ' ' THR . . . . . . . . . . . . . 60.2 p -134.13 -15.92 2.22 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 125.676 1.59 . . . . 10.0 114.551 -178.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1877 ' ' HIS . . . . . . . . . . . . . 2.7 t-80 -148.2 177.13 9.66 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 127.784 2.434 . . . . 10.0 112.697 178.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1878 ' ' GLY . . . . . . . . . . . . . . . -169.08 169.38 41.85 Favored Glycine 0 CA--C 1.54 1.633 0 C-N-CA 125.575 1.56 . . . . 10.0 113.417 179.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1879 ' ' VAL . . . . . . . . . . . . . 11.9 t -130.84 121.25 49.59 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 C-N-CA 125.61 1.564 . . . . 10.0 111.126 174.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1880 ' ' VAL . . . . . . . . . . . . . 28.6 t -69.12 133.68 31.46 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.385 0 O-C-N 120.687 -1.258 . . . . 10.0 111.036 178.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1881 ' ' ASN . . . . . . . . . . . . . 78.7 m-20 65.13 7.65 4.26 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 127.785 2.434 . . . . 10.0 116.086 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1882 ' ' LYS . . . . . 0.412 ' HA ' ' HD3' ' A' 1883 ' ' PRO . 5.0 tmmm? -133.92 139.74 34.29 Favored Pre-proline 0 N--CA 1.484 1.255 0 CA-C-N 120.576 1.535 . . . . 10.0 111.715 169.285 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1883 ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' 1882 ' ' LYS . 73.8 Cg_exo -54.04 145.73 51.44 Favored 'Trans proline' 0 C--O 1.238 0.485 0 C-N-CA 123.502 2.801 . . . . 10.0 115.243 -169.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1884 ' ' ALA . . . . . . . . . . . . . . . -128.17 158.03 39.19 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 125.061 1.345 . . . . 10.0 111.251 174.103 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1885 ' ' THR . . . . . . . . . . . . . 74.5 p -143.25 157.68 44.28 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.828 1.251 . . . . 10.0 114.282 -172.006 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1886 ' ' PHE . . . . . . . . . . . . . 43.6 p90 -150.96 169.7 21.13 Favored 'General case' 0 CA--C 1.556 1.175 0 C-N-CA 124.018 0.927 . . . . 10.0 112.424 169.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1887 ' ' THR . . . . . . . . . . . . . 16.5 m -111.81 146.55 37.44 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.329 1.451 . . . . 10.0 110.967 -169.248 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1888 ' ' VAL . . . . . . . . . . . . . 2.4 m -150.14 42.04 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.164 0 C-N-CA 126.826 2.051 . . . . 10.0 110.981 -168.032 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1889 ' ' ASN . . . . . . . . . . . . . 60.8 t-20 -48.32 104.97 0.07 Allowed 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 128.326 2.65 . . . . 10.0 112.75 -176.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1890 ' ' THR . . . . . . . . . . . . . 1.1 p -76.24 58.78 1.3 Allowed 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 128.727 2.811 . . . . 10.0 114.175 -172.577 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1891 ' ' LYS . . . . . . . . . . . . . 36.6 mtpt -65.47 109.63 2.39 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 127.477 2.311 . . . . 10.0 110.559 179.127 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 25.8 t70 50.51 28.64 3.5 Favored 'General case' 0 CA--C 1.555 1.166 0 C-N-CA 127.033 2.133 . . . . 10.0 113.596 -177.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1893 ' ' ALA . . . . . . . . . . . . . . . -72.35 -40.24 67.5 Favored 'General case' 0 CA--C 1.55 0.97 0 N-CA-C 115.252 1.575 . . . . 10.0 115.252 -168.516 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . 127.23 -156.25 20.27 Favored Glycine 0 CA--C 1.534 1.239 0 C-N-CA 124.72 1.152 . . . . 10.0 113.308 -170.299 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1895 ' ' GLU . . . . . . . . . . . . . 68.4 mt-10 -81.27 2.41 28.12 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 125.687 1.595 . . . . 10.0 115.011 -178.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1896 ' ' GLY . . . . . . . . . . . . . . . 98.55 56.76 1.02 Allowed Glycine 0 N--CA 1.471 1.031 0 C-N-CA 125.861 1.696 . . . . 10.0 114.402 -179.396 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1897 ' ' GLY . . . . . . . . . . . . . . . -88.44 41.53 3.06 Favored Glycine 0 CA--C 1.548 2.103 0 C-N-CA 126.061 1.791 . . . . 10.0 113.102 -177.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1898 ' ' LEU . . . . . 0.407 ' HB3' ' CD2' ' A' 1938 ' ' TYR . 0.0 OUTLIER -114.15 162.97 15.83 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.978 1.311 . . . . 10.0 113.806 -170.822 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A 1899 ' ' SER . . . . . . . . . . . . . 14.4 t -153.8 146.19 23.97 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 126.094 1.758 . . . . 10.0 111.081 175.001 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1900 ' ' LEU . . . . . 0.474 HD11 HG21 ' A' 1922 ' ' VAL . 51.2 mt -107.36 153.21 23.09 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 124.671 1.188 . . . . 10.0 113.252 173.302 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1901 ' ' ALA . . . . . . . . . . . . . . . -145.43 150.19 36.07 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 125.268 1.427 . . . . 10.0 108.269 163.443 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1902 ' ' ILE . . . . . . . . . . . . . 1.1 mp -128.25 141.05 47.54 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.59 0 C-N-CA 125.973 1.709 . . . . 10.0 109.416 174.347 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1903 ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -129.92 173.66 10.48 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 126.627 1.971 . . . . 10.0 110.278 176.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1904 ' ' GLY . . . . . . . . . . . . . . . 146.88 -162.49 28.55 Favored Glycine 0 CA--C 1.538 1.514 0 O-C-N 120.959 -1.088 . . . . 10.0 111.502 -170.39 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1905 ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -72.43 -15.26 27.95 Favored 'Trans proline' 0 CA--C 1.542 0.891 0 C-N-CA 123.692 2.928 . . . . 10.0 113.135 171.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1906 ' ' SER . . . . . . . . . . . . . 12.7 t -154.43 -179.32 7.84 Favored 'General case' 0 C--O 1.246 0.91 0 C-N-CA 126.794 2.037 . . . . 10.0 110.087 -167.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1907 ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -133.63 174.68 10.17 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 126.191 1.796 . . . . 10.0 111.977 -173.246 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1908 ' ' ALA . . . . . . . . . . . . . . . -148.07 158.11 43.88 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.447 1.099 . . . . 10.0 111.198 -177.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1909 ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -89.89 102.1 14.8 Favored 'General case' 0 CA--C 1.552 1.029 0 O-C-N 120.867 -1.145 . . . . 10.0 110.461 176.07 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1910 ' ' ILE . . . . . . . . . . . . . 83.1 mt -74.34 145.73 10.83 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 126.21 1.804 . . . . 10.0 110.643 -176.248 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1911 ' ' SER . . . . . . . . . . . . . 22.8 t -144.66 155.63 43.69 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 127.881 2.472 . . . . 10.0 110.019 170.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1912 ' ' CYS . . . . . . . . . . . . . 80.5 m -139.64 152.51 46.83 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 125.984 1.714 . . . . 10.0 110.692 179.268 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1913 ' ' THR . . . . . . . . . . . . . 88.6 m -135.5 114.97 12.61 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.19 0.996 . . . . 10.0 111.848 179.3 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1914 ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -67.93 88.43 0.27 Allowed 'General case' 0 C--O 1.244 0.813 0 C-N-CA 124.492 1.117 . . . . 10.0 111.288 170.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1915 ' ' ASN . . . . . . . . . . . . . 61.4 t30 -80.52 153.61 28.02 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.197 1.399 . . . . 10.0 110.777 -173.522 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1916 ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -61.8 -20.05 63.2 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 127.618 2.367 . . . . 10.0 114.564 175.097 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1917 ' ' ASP . . . . . . . . . . . . . 19.3 t70 -88.37 -2.41 58.58 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 121.245 -0.909 . . . . 10.0 112.617 179.228 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1918 ' ' GLY . . . . . . . . . . . . . . . 95.71 30.31 8.11 Favored Glycine 0 CA--C 1.535 1.283 0 N-CA-C 116.097 1.199 . . . . 10.0 116.097 173.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1919 ' ' THR . . . . . . . . . . . . . 8.6 t -132.0 158.21 42.08 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 125.816 1.646 . . . . 10.0 111.997 178.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1920 ' ' CYS . . . . . . . . . . . . . 1.9 t -96.15 9.62 40.34 Favored 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 125.677 1.591 . . . . 10.0 113.818 -176.274 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1921 ' ' SER . . . . . . . . . . . . . 74.7 m 15.97 90.75 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 130.305 3.442 . . . . 10.0 116.325 175.007 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1922 ' ' VAL . . . . . 0.474 HG21 HD11 ' A' 1900 ' ' LEU . 69.4 t -84.78 142.88 12.71 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 C-N-CA 125.06 1.344 . . . . 10.0 112.079 -173.358 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1923 ' ' SER . . . . . . . . . . . . . 27.5 t -132.9 149.0 52.29 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 125.238 1.415 . . . . 10.0 111.672 169.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1924 ' ' TYR . . . . . . . . . . . . . 18.7 p90 -152.65 170.69 19.61 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 127.032 2.133 . . . . 10.0 110.136 175.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1925 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -149.44 95.09 3.82 Favored Pre-proline 0 CA--C 1.552 1.039 0 O-C-N 121.12 -0.987 . . . . 10.0 111.133 -175.014 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1926 ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -72.6 146.34 43.63 Favored 'Trans proline' 0 C--N 1.354 0.833 0 C-N-CA 123.067 2.512 . . . . 10.0 112.354 -179.28 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1927 ' ' VAL . . . . . . . . . . . . . 35.6 m -106.51 -9.73 10.44 Favored 'Isoleucine or valine' 0 C--O 1.243 0.744 0 C-N-CA 125.339 1.456 . . . . 10.0 114.712 -179.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1928 ' ' LEU . . . . . . . . . . . . . 18.3 mt -142.25 158.21 61.64 Favored Pre-proline 0 CA--C 1.553 1.06 0 C-N-CA 125.337 1.455 . . . . 10.0 112.165 169.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1929 ' ' PRO . . . . . . . . . . . . . 9.8 Cg_exo -61.64 163.27 18.83 Favored 'Trans proline' 0 CA--C 1.545 1.031 0 C-N-CA 123.099 2.532 . . . . 10.0 112.322 172.175 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1930 ' ' GLY . . . . . . . . . . . . . . . 156.81 178.99 31.43 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 116.085 1.194 . . . . 10.0 116.085 172.197 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1931 ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -94.81 82.59 3.9 Favored 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 126.239 1.816 . . . . 10.0 108.874 174.363 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1932 ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -78.96 103.9 9.23 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.251 1.42 . . . . 10.0 111.966 -172.504 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1933 ' ' SER . . . . . . . . . . . . . 32.2 t -63.6 142.36 58.43 Favored 'General case' 0 CA--C 1.541 0.635 0 O-C-N 120.421 -1.424 . . . . 10.0 111.038 172.199 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1934 ' ' ILE . . . . . . . . . . . . . 5.3 mm -124.13 122.68 64.9 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 126.224 1.81 . . . . 10.0 110.764 178.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1935 ' ' LEU . . . . . . . . . . . . . 2.2 mm? -115.33 78.36 1.16 Allowed 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 127.344 2.258 . . . . 10.0 109.87 -172.13 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1936 ' ' VAL . . . . . . . . . . . . . 22.1 t -81.43 104.76 10.46 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.26 0 C-N-CA 125.47 1.508 . . . . 10.0 110.04 178.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1937 ' ' LYS . . . . . . . . . . . . . 60.9 mttp -100.16 141.21 33.3 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 123.923 0.889 . . . . 10.0 112.013 178.193 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1938 ' ' TYR . . . . . 0.407 ' CD2' ' HB3' ' A' 1898 ' ' LEU . 1.6 t80 -136.22 113.43 10.61 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 126.503 1.921 . . . . 10.0 108.113 169.148 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1939 ' ' ASN . . . . . . . . . . . . . 1.1 t30 54.83 73.13 0.43 Allowed 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.726 1.611 . . . . 10.0 113.808 -173.091 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1940 ' ' GLU . . . . . . . . . . . . . 19.7 tt0 65.58 -6.14 0.43 Allowed 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 127.906 2.482 . . . . 10.0 115.845 170.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1941 ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -140.04 164.6 29.6 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.333 1.453 . . . . 10.0 112.531 -179.306 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1942 ' ' HIS . . . . . . . . . . . . . 34.0 m170 -70.02 149.06 48.1 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 113.695 0.998 . . . . 10.0 113.695 -175.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1943 ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -70.73 167.04 30.91 Favored Pre-proline 0 C--O 1.242 0.672 0 C-N-CA 126.992 2.117 . . . . 10.0 112.061 178.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1944 ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -59.71 111.82 1.08 Allowed 'Trans proline' 0 CA--C 1.534 0.504 1 C-N-CA 126.129 4.553 . . . . 10.0 112.474 178.816 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1945 ' ' GLY . . . . . . . . . . . . . . . 98.52 -15.31 61.24 Favored Glycine 0 N--CA 1.476 1.334 0 C-N-CA 126.154 1.835 . . . . 10.0 115.382 -179.078 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1946 ' ' SER . . . . . . . . . . . . . 12.7 m -72.83 155.77 90.4 Favored Pre-proline 0 C--O 1.249 1.07 0 CA-C-N 118.595 1.198 . . . . 10.0 113.955 173.236 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1947 ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -73.72 167.95 77.82 Favored 'Cis proline' 0 CA--C 1.538 0.688 0 CA-C-N 119.91 1.004 . . . . 10.0 114.216 -1.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1948 ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -124.01 170.39 10.69 Favored 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 126.371 1.869 . . . . 10.0 110.882 174.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1949 ' ' THR . . . . . . . . . . . . . 28.8 m -142.1 99.87 3.61 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 125.417 1.487 . . . . 10.0 110.92 176.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1950 ' ' ALA . . . . . . . . . . . . . . . -74.91 157.47 34.98 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.139 0.976 . . . . 10.0 113.364 175.207 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1951 ' ' ARG . . . . . . . . . . . . . 39.1 ttp180 -120.68 87.18 2.7 Favored 'General case' 0 C--N 1.348 0.501 0 C-N-CA 125.472 1.509 . . . . 10.0 113.108 177.111 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1952 ' ' VAL . . . . . . . . . . . . . 2.1 t -65.1 93.47 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 126.951 2.1 . . . . 10.0 108.771 169.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1953 ' ' THR . . . . . . . . . . . . . 11.3 t -68.69 -32.24 71.91 Favored 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 115.88 1.807 . . . . 10.0 115.88 -167.519 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1954 ' ' GLY . . . . . . . . . . . . . . . 66.82 -174.27 25.29 Favored Glycine 0 CA--C 1.546 1.977 0 C-N-CA 124.995 1.283 . . . . 10.0 116.202 -178.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1955 ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -137.64 -43.38 0.54 Allowed 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 125.166 1.386 . . . . 10.0 113.586 -171.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1956 ' ' ASP . . . . . . . . . . . . . 33.3 t70 . . . . . 0 C--O 1.254 1.312 0 C-N-CA 125.517 1.527 . . . . 10.0 113.294 -177.428 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.727 0 N-CA-C 111.639 -0.584 . . . . 10.0 111.639 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' -3' ' ' ALA . . . . . . . . . . . . . . . -69.19 161.83 28.35 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 123.962 0.905 . . . . 10.0 113.198 177.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 57.2 mtt -132.81 -176.24 4.04 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 127.224 2.209 . . . . 10.0 110.445 173.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -1' ' ' VAL . . . . . . . . . . . . . 24.3 m -50.74 130.67 10.63 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.132 0 C-N-CA 125.081 1.352 . . . . 10.0 114.569 -173.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1863 ' ' VAL . . . . . . . . . . . . . 4.5 p -85.72 7.01 2.23 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 C-N-CA 126.821 2.048 . . . . 10.0 113.409 -179.627 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1864 ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -56.53 155.72 6.97 Favored 'General case' 0 CA--C 1.561 1.379 0 C-N-CA 126.998 2.119 . . . . 10.0 112.811 -178.172 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1865 ' ' CYS . . . . . . . . . . . . . 74.3 m -62.04 172.24 1.46 Allowed 'General case' 0 CA--C 1.552 1.052 0 C-N-CA 127.14 2.176 . . . . 10.0 114.549 -177.371 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1866 ' ' GLY . . . . . . . . . . . . . . . -139.06 61.53 0.57 Allowed Glycine 0 CA--C 1.534 1.239 0 C-N-CA 125.096 1.332 . . . . 10.0 111.94 178.428 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1867 ' ' HIS . . . . . . . . . . . . . 34.4 p80 -63.59 168.58 4.61 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.833 1.253 . . . . 10.0 112.538 176.475 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1868 ' ' VAL . . . . . . . . . . . . . 9.0 p -64.2 137.83 24.13 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 O-C-N 120.716 -1.24 . . . . 10.0 111.471 169.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1869 ' ' THR . . . . . . . . . . . . . 18.2 m -138.91 153.09 48.23 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.979 1.312 . . . . 10.0 110.484 -177.469 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1870 ' ' ALA . . . . . . . . . . . . . . . -123.84 126.78 47.04 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 126.375 1.87 . . . . 10.0 109.654 168.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1871 ' ' TYR . . . . . . . . . . . . . 54.2 p90 -149.36 156.39 41.98 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.251 1.02 . . . . 10.0 113.708 -175.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1872 ' ' GLY . . . . . . . . . . . . . . . 139.13 173.45 13.04 Favored Glycine 0 CA--C 1.534 1.266 0 C-N-CA 126.36 1.933 . . . . 10.0 115.073 179.371 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1873 ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -69.79 -24.81 29.12 Favored 'Trans proline' 0 C--N 1.351 0.665 0 C-N-CA 123.108 2.538 . . . . 10.0 112.609 179.415 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1874 ' ' GLY . . . . . . . . . . . . . . . -69.84 -7.73 59.49 Favored Glycine 0 CA--C 1.534 1.27 0 N-CA-C 116.022 1.169 . . . . 10.0 116.022 -178.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1875 ' ' LEU . . . . . . . . . . . . . 65.2 mt -87.2 -16.01 36.56 Favored 'General case' 0 CA--C 1.554 1.116 0 CA-C-N 119.022 1.411 . . . . 10.0 113.864 174.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1876 ' ' THR . . . . . . . . . . . . . 40.0 p -127.86 -30.65 2.48 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 125.022 1.329 . . . . 10.0 113.607 -171.531 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1877 ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -132.71 -179.81 5.69 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 125.648 1.579 . . . . 10.0 111.332 177.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1878 ' ' GLY . . . . . . . . . . . . . . . -168.8 177.01 42.86 Favored Glycine 0 CA--C 1.543 1.804 0 O-C-N 121.041 -1.037 . . . . 10.0 112.665 171.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1879 ' ' VAL . . . . . . . . . . . . . 7.4 p -136.49 134.18 49.34 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 124.673 1.189 . . . . 10.0 111.65 167.612 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1880 ' ' VAL . . . . . 0.517 HG23 HG12 ' A' 1952 ' ' VAL . 31.8 t -80.7 144.77 10.06 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 126.214 1.806 . . . . 10.0 111.797 -168.579 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1881 ' ' ASN . . . . . . . . . . . . . 2.1 m-80 66.79 10.14 7.3 Favored 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 126.409 1.883 . . . . 10.0 114.523 178.185 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1882 ' ' LYS . . . . . 0.427 ' HA ' ' HD3' ' A' 1883 ' ' PRO . 35.9 tptt -134.48 145.57 55.7 Favored Pre-proline 0 N--CA 1.472 0.656 0 C-N-CA 127.81 2.444 . . . . 10.0 109.829 173.402 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1883 ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' 1882 ' ' LYS . 51.0 Cg_exo -55.06 140.57 80.31 Favored 'Trans proline' 0 C--O 1.238 0.492 0 C-N-CA 123.45 2.767 . . . . 10.0 115.411 -175.382 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1884 ' ' ALA . . . . . . . . . . . . . . . -121.11 151.23 40.12 Favored 'General case' 0 C--O 1.242 0.699 0 C-N-CA 125.765 1.626 . . . . 10.0 110.997 173.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1885 ' ' THR . . . . . . . . . . . . . 58.9 p -150.25 160.85 43.39 Favored 'General case' 0 N--CA 1.483 1.196 0 O-C-N 121.295 -0.878 . . . . 10.0 113.032 -170.42 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1886 ' ' PHE . . . . . . . . . . . . . 39.1 p90 -149.5 151.34 33.77 Favored 'General case' 0 C--O 1.24 0.575 0 C-N-CA 125.176 1.391 . . . . 10.0 110.302 165.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1887 ' ' THR . . . . . . . . . . . . . 47.9 m -91.05 138.3 31.71 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 124.584 1.154 . . . . 10.0 110.807 179.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1888 ' ' VAL . . . . . . . . . . . . . 1.6 m -127.47 148.37 32.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 125.529 1.531 . . . . 10.0 109.352 169.108 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1889 ' ' ASN . . . . . . . . . . . . . 26.2 t30 -133.58 96.69 3.75 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 125.684 1.594 . . . . 10.0 111.913 -168.13 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1890 ' ' THR . . . . . . . . . . . . . 7.9 p -91.74 13.63 17.63 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 125.537 1.535 . . . . 10.0 113.759 -171.478 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1891 ' ' LYS . . . . . . . . . . . . . 53.7 mtpt -61.6 123.69 18.61 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 125.858 1.663 . . . . 10.0 112.481 -177.421 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 29.2 t70 50.54 20.69 0.74 Allowed 'General case' 0 CA--C 1.555 1.152 0 C-N-CA 126.426 1.89 . . . . 10.0 115.86 -176.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1893 ' ' ALA . . . . . . . . . . . . . . . -69.24 -24.27 63.98 Favored 'General case' 0 CA--C 1.551 0.981 0 N-CA-C 114.947 1.462 . . . . 10.0 114.947 -174.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . 146.3 -168.73 27.73 Favored Glycine 0 CA--C 1.536 1.402 0 C-N-CA 124.906 1.241 . . . . 10.0 111.682 -174.082 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1895 ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -68.43 -6.93 27.48 Favored 'General case' 0 CA--C 1.552 1.052 0 N-CA-C 115.148 1.536 . . . . 10.0 115.148 177.001 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1896 ' ' GLY . . . . . . . . . . . . . . . 125.08 178.68 15.41 Favored Glycine 0 CA--C 1.534 1.265 0 C-N-CA 127.27 2.367 . . . . 10.0 112.716 -175.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1897 ' ' GLY . . . . . . . . . . . . . . . 130.84 3.04 4.62 Favored Glycine 0 N--CA 1.477 1.38 0 CA-C-O 118.174 -1.348 . . . . 10.0 115.44 175.21 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1898 ' ' LEU . . . . . . . . . . . . . 3.1 tm? -59.61 117.14 4.58 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 119.093 1.446 . . . . 10.0 111.129 174.286 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1899 ' ' SER . . . . . . . . . . . . . 21.3 t -151.06 147.16 26.76 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.969 1.308 . . . . 10.0 111.321 176.019 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1900 ' ' LEU . . . . . 0.426 HD21 HG21 ' A' 1922 ' ' VAL . 3.3 pp -158.63 168.14 27.69 Favored 'General case' 0 N--CA 1.446 -0.638 0 N-CA-C 114.387 1.254 . . . . 10.0 114.387 -173.676 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1901 ' ' ALA . . . . . . . . . . . . . . . -155.43 167.58 29.9 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.036 1.334 . . . . 10.0 112.216 168.477 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1902 ' ' ILE . . . . . . . . . . . . . 2.4 mp -123.77 120.8 60.75 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 C-N-CA 125.502 1.521 . . . . 10.0 108.616 179.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1903 ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -89.74 178.63 6.2 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 126.004 1.722 . . . . 10.0 110.852 169.318 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1904 ' ' GLY . . . . . . . . . . . . . . . 158.68 -169.18 35.03 Favored Glycine 0 CA--C 1.539 1.576 0 C-N-CA 125.237 1.398 . . . . 10.0 113.053 -179.176 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1905 ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -70.49 -19.12 33.05 Favored 'Trans proline' 0 CA--C 1.546 1.096 0 C-N-CA 122.611 2.207 . . . . 10.0 112.001 173.527 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1906 ' ' SER . . . . . . . . . . . . . 20.2 t -147.87 118.13 7.34 Favored 'General case' 0 C--O 1.234 0.271 0 C-N-CA 129.987 3.315 . . . . 10.0 109.162 -169.477 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1907 ' ' LYS . . . . . . . . . . . . . 64.4 mmtt -64.05 110.86 2.29 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 127.126 2.17 . . . . 10.0 111.822 -171.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1908 ' ' ALA . . . . . . . . . . . . . . . -67.72 150.06 49.17 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.09 1.356 . . . . 10.0 112.63 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1909 ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -85.78 102.35 13.59 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.271 1.428 . . . . 10.0 110.87 174.145 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1910 ' ' ILE . . . . . . . . . . . . . 20.9 mm -77.4 131.03 35.54 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.782 0 C-N-CA 124.553 1.141 . . . . 10.0 110.396 -173.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1911 ' ' SER . . . . . . . . . . . . . 8.4 t -146.73 169.98 17.93 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 127.553 2.341 . . . . 10.0 113.249 169.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1912 ' ' CYS . . . . . . . . . . . . . 27.6 p -149.59 164.61 34.65 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.979 1.311 . . . . 10.0 112.02 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1913 ' ' THR . . . . . . . . . . . . . 31.8 m -127.02 122.28 33.99 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.501 1.12 . . . . 10.0 111.601 -175.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1914 ' ' ASP . . . . . . . . . . . . . 34.6 t70 -71.31 135.58 47.45 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 123.647 0.779 . . . . 10.0 112.822 168.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1915 ' ' ASN . . . . . . . . . . . . . 28.3 m120 -139.41 159.71 41.52 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 125.377 1.471 . . . . 10.0 112.305 173.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1916 ' ' GLN . . . . . . . . . . . . . 18.2 tt0 -54.95 -46.15 74.96 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 128.074 2.549 . . . . 10.0 114.536 -174.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1917 ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -89.98 0.6 57.0 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 114.599 1.333 . . . . 10.0 114.599 -167.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1918 ' ' GLY . . . . . . . . . . . . . . . 98.13 36.48 4.67 Favored Glycine 0 CA--C 1.534 1.225 0 N-CA-C 115.589 0.996 . . . . 10.0 115.589 171.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1919 ' ' THR . . . . . . . . . . . . . 47.1 p -100.64 157.29 16.79 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 125.984 1.714 . . . . 10.0 112.276 167.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1920 ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -122.57 20.7 10.28 Favored 'General case' 0 CA--C 1.56 1.342 0 C-N-CA 124.863 1.265 . . . . 10.0 113.7 -176.749 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1921 ' ' SER . . . . . . . . . . . . . 67.4 m -22.19 108.2 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 129.556 3.142 . . . . 10.0 116.109 -171.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1922 ' ' VAL . . . . . 0.426 HG21 HD21 ' A' 1900 ' ' LEU . 93.7 t -82.58 136.56 22.66 Favored 'Isoleucine or valine' 0 C--O 1.245 0.861 0 C-N-CA 126.882 2.073 . . . . 10.0 110.451 -173.595 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1923 ' ' SER . . . . . . . . . . . . . 67.3 m -135.14 127.53 30.4 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 125.749 1.619 . . . . 10.0 111.976 -172.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1924 ' ' TYR . . . . . . . . . . . . . 29.6 p90 -151.22 -178.05 6.41 Favored 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 124.951 1.3 . . . . 10.0 112.002 -177.357 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1925 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -145.67 96.79 4.7 Favored Pre-proline 0 CA--C 1.551 1.005 0 C-N-CA 125.614 1.566 . . . . 10.0 111.645 -174.198 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1926 ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -71.14 121.92 8.27 Favored 'Trans proline' 0 C--O 1.242 0.679 0 C-N-CA 123.64 2.894 . . . . 10.0 110.269 176.074 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1927 ' ' VAL . . . . . . . . . . . . . 25.5 m -106.06 -0.77 9.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 N-CA-C 114.345 1.239 . . . . 10.0 114.345 -171.535 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1928 ' ' LEU . . . . . . . . . . . . . 4.3 tt -153.17 131.62 6.52 Favored Pre-proline 0 N--CA 1.478 0.961 0 C-N-CA 124.723 1.209 . . . . 10.0 110.576 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1929 ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -51.25 133.34 41.83 Favored 'Trans proline' 0 CA--C 1.544 0.999 0 C-N-CA 124.402 3.401 . . . . 10.0 113.279 -178.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1930 ' ' GLY . . . . . . . . . . . . . . . -178.25 -178.11 47.44 Favored Glycine 0 N--CA 1.465 0.606 0 N-CA-C 117.6 1.8 . . . . 10.0 117.6 -171.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1931 ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -105.2 88.51 2.88 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 126.791 2.036 . . . . 10.0 108.673 176.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1932 ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -84.01 93.01 7.98 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.698 1.199 . . . . 10.0 110.835 -173.528 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1933 ' ' SER . . . . . . . . . . . . . 58.8 m -65.56 124.57 22.69 Favored 'General case' 0 C--N 1.328 -0.363 0 O-C-N 121.486 -0.759 . . . . 10.0 112.11 176.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1934 ' ' ILE . . . . . . . . . . . . . 5.1 mm -95.68 126.93 48.1 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.811 0 C-N-CA 124.422 1.089 . . . . 10.0 110.04 176.342 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1935 ' ' LEU . . . . . . . . . . . . . 3.4 mm? -113.16 94.85 5.08 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 126.279 1.831 . . . . 10.0 109.454 -179.435 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1936 ' ' VAL . . . . . . . . . . . . . 15.5 t -107.62 134.64 48.78 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.387 0 C-N-CA 124.509 1.124 . . . . 10.0 111.14 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1937 ' ' LYS . . . . . . . . . . . . . 98.8 mttt -130.49 155.86 45.76 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 125.828 1.651 . . . . 10.0 111.862 176.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1938 ' ' TYR . . . . . . . . . . . . . 26.2 t80 -138.39 105.16 5.36 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 126.765 2.026 . . . . 10.0 110.636 168.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1939 ' ' ASN . . . . . . . . . . . . . 1.1 t30 53.53 79.76 0.12 Allowed 'General case' 0 CA--C 1.562 1.427 0 C-N-CA 126.688 1.995 . . . . 10.0 112.475 -175.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1940 ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 64.1 -4.77 0.36 Allowed 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 128.851 2.86 . . . . 10.0 117.544 173.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1941 ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -128.5 149.92 50.38 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.554 1.541 . . . . 10.0 110.34 -176.324 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1942 ' ' HIS . . . . . . . . . . . . . 88.4 m-70 -70.69 153.13 43.11 Favored 'General case' 0 C--N 1.346 0.423 0 CA-C-O 121.948 0.88 . . . . 10.0 112.864 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1943 ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -72.53 164.63 58.45 Favored Pre-proline 0 CA--C 1.547 0.84 0 C-N-CA 125.349 1.46 . . . . 10.0 112.267 -179.092 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1944 ' ' PRO . . . . . . . . . . . . . 40.1 Cg_exo -53.36 114.02 1.56 Allowed 'Trans proline' 0 CA--C 1.545 1.03 0 C-N-CA 124.641 3.56 . . . . 10.0 112.846 179.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1945 ' ' GLY . . . . . . . . . . . . . . . 87.44 -7.95 78.95 Favored Glycine 0 CA--C 1.549 2.165 0 C-N-CA 125.173 1.368 . . . . 10.0 115.446 177.579 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1946 ' ' SER . . . . . . . . . . . . . 4.1 m -66.2 152.78 93.54 Favored Pre-proline 0 N--CA 1.471 0.604 0 CA-C-N 118.609 1.205 . . . . 10.0 113.172 174.648 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1947 ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -74.48 165.07 86.47 Favored 'Cis proline' 0 C--N 1.355 0.88 0 CA-C-O 122.2 0.833 . . . . 10.0 113.465 -3.307 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1948 ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -114.57 166.5 11.65 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 126.05 1.74 . . . . 10.0 109.862 174.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1949 ' ' THR . . . . . . . . . . . . . 31.6 m -140.01 102.13 4.32 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 125.002 1.321 . . . . 10.0 111.75 -179.302 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1950 ' ' ALA . . . . . . . . . . . . . . . -93.13 111.48 23.13 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.704 1.201 . . . . 10.0 112.478 -173.611 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1951 ' ' ARG . . . . . . . . . . . . . 12.8 ttt180 -88.88 81.04 6.99 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 113.243 0.831 . . . . 10.0 113.243 -178.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1952 ' ' VAL . . . . . 0.517 HG12 HG23 ' A' 1880 ' ' VAL . 2.7 t -56.12 112.65 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.928 0 C-N-CA 129.117 2.967 . . . . 10.0 112.625 171.457 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1953 ' ' THR . . . . . . . . . . . . . 33.3 m -87.72 147.26 25.3 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 125.081 1.352 . . . . 10.0 110.217 177.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1954 ' ' GLY . . . . . . . . . . . . . . . -66.8 172.17 29.34 Favored Glycine 0 C--N 1.346 1.137 0 O-C-N 121.269 -0.894 . . . . 10.0 114.403 173.221 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1955 ' ' ASP . . . . . . . . . . . . . 36.1 t70 -134.18 -71.99 0.49 Allowed 'General case' 0 CA--C 1.559 1.304 0 C-N-CA 124.354 1.062 . . . . 10.0 113.6 -175.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1956 ' ' ASP . . . . . . . . . . . . . 35.2 t70 . . . . . 0 C--O 1.251 1.155 0 C-N-CA 124.723 1.209 . . . . 10.0 113.73 175.296 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.606 0 N-CA-C 111.011 -0.836 . . . . 10.0 111.011 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' -3' ' ' ALA . . . . . . . . . . . . . . . -66.43 162.85 19.61 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 123.598 0.759 . . . . 10.0 112.699 176.503 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 78.1 mtm -134.23 163.07 30.44 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 126.41 1.884 . . . . 10.0 111.465 179.539 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -1' ' ' VAL . . . . . . . . . . . . . 2.9 t 64.35 -0.45 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.388 0 C-N-CA 126.13 1.772 . . . . 10.0 114.372 -176.374 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1863 ' ' VAL . . . . . . . . . . . . . 22.6 m -59.51 -16.57 10.72 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.282 0 O-C-N 119.645 -1.909 . . . . 10.0 116.092 -176.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1864 ' ' ASN . . . . . . . . . . . . . 36.4 m120 -106.16 8.99 32.36 Favored 'General case' 0 CA--C 1.555 1.141 0 C-N-CA 124.934 1.294 . . . . 10.0 113.671 179.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1865 ' ' CYS . . . . . . . . . . . . . 36.6 t -64.59 100.39 0.38 Allowed 'General case' 0 CA--C 1.55 0.969 0 O-C-N 121.093 -1.004 . . . . 10.0 112.331 -176.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1866 ' ' GLY . . . . . . . . . . . . . . . 78.31 -19.36 4.7 Favored Glycine 0 CA--C 1.543 1.799 0 C-N-CA 126.875 2.179 . . . . 10.0 117.592 171.513 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1867 ' ' HIS . . . . . . . . . . . . . 21.7 t-80 -75.88 141.14 42.45 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 119.451 1.625 . . . . 10.0 112.583 -176.597 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1868 ' ' VAL . . . . . 0.438 HG11 ' HA ' ' A' 1890 ' ' THR . 10.8 m -77.72 159.72 4.85 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 124.522 1.129 . . . . 10.0 109.964 176.082 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1869 ' ' THR . . . . . . . . . . . . . 63.2 p -141.71 169.22 18.01 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 120.221 -1.55 . . . . 10.0 110.511 -172.117 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1870 ' ' ALA . . . . . . . . . . . . . . . -126.17 137.29 53.55 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.875 1.67 . . . . 10.0 109.517 179.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1871 ' ' TYR . . . . . . . . . . . . . 14.5 p90 -156.16 152.18 27.57 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.698 1.199 . . . . 10.0 112.058 -179.081 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1872 ' ' GLY . . . . . . . . . . . . . . . 144.5 175.41 17.62 Favored Glycine 0 N--CA 1.475 1.253 0 O-C-N 120.69 -1.256 . . . . 10.0 112.719 176.094 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1873 ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -64.66 -34.08 52.63 Favored 'Trans proline' 0 CA--C 1.532 0.405 0 C-N-CA 123.82 3.013 . . . . 10.0 113.149 -174.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1874 ' ' GLY . . . . . . . . . . . . . . . -67.12 -7.75 46.01 Favored Glycine 0 CA--C 1.531 1.046 0 C-N-CA 125.724 1.631 . . . . 10.0 116.121 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1875 ' ' LEU . . . . . . . . . . . . . 24.2 mt -95.19 -3.8 47.1 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 118.827 1.314 . . . . 10.0 112.768 169.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1876 ' ' THR . . . . . . . . . . . . . 69.9 m -121.99 -48.72 2.11 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 126.195 1.798 . . . . 10.0 111.432 -170.187 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1877 ' ' HIS . . . . . . . . . . . . . 14.8 p80 -142.92 -179.44 6.36 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 126.417 1.887 . . . . 10.0 111.461 178.098 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1878 ' ' GLY . . . . . . . . . . . . . . . -168.1 176.94 42.49 Favored Glycine 0 N--CA 1.472 1.033 0 C-N-CA 124.636 1.112 . . . . 10.0 114.078 176.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1879 ' ' VAL . . . . . . . . . . . . . 12.6 p -134.82 145.45 32.36 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.799 0 C-N-CA 125.453 1.501 . . . . 10.0 110.508 171.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1880 ' ' VAL . . . . . . . . . . . . . 65.6 t -85.55 146.76 6.11 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 C-N-CA 125.296 1.439 . . . . 10.0 113.522 -171.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1881 ' ' ASN . . . . . . . . . . . . . 77.0 m-20 54.58 18.05 1.88 Allowed 'General case' 0 CA--C 1.557 1.246 0 C-N-CA 127.727 2.411 . . . . 10.0 114.654 -177.348 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1882 ' ' LYS . . . . . 0.433 ' HA ' ' HD3' ' A' 1883 ' ' PRO . 37.3 tptt -137.54 145.21 48.16 Favored Pre-proline 0 N--CA 1.475 0.82 0 C-N-CA 127.517 2.327 . . . . 10.0 110.359 171.527 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1883 ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' 1882 ' ' LYS . 51.2 Cg_exo -58.31 141.76 97.08 Favored 'Trans proline' 0 N--CA 1.459 -0.529 0 C-N-CA 124.66 3.573 . . . . 10.0 114.229 -175.134 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1884 ' ' ALA . . . . . . . . . . . . . . . -128.61 156.17 43.81 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 125.836 1.654 . . . . 10.0 110.976 172.141 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1885 ' ' THR . . . . . . . . . . . . . 28.3 p -151.71 162.91 40.22 Favored 'General case' 0 N--CA 1.469 0.525 0 N-CA-C 114.56 1.319 . . . . 10.0 114.56 -169.211 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1886 ' ' PHE . . . . . . . . . . . . . 43.7 p90 -148.57 178.77 8.34 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.26 1.424 . . . . 10.0 110.514 168.382 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1887 ' ' THR . . . . . . . . . . . . . 92.5 m -125.59 137.29 53.9 Favored 'General case' 0 N--CA 1.463 0.223 0 C-N-CA 124.605 1.162 . . . . 10.0 111.402 -173.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1888 ' ' VAL . . . . . 0.458 ' CG2' ' HB3' ' A' 1920 ' ' CYS . 5.9 m -125.41 146.33 31.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 C-N-CA 125.351 1.46 . . . . 10.0 107.875 165.603 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1889 ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -126.77 88.56 2.84 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 125.198 1.399 . . . . 10.0 108.245 -177.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1890 ' ' THR . . . . . 0.438 ' HA ' HG11 ' A' 1868 ' ' VAL . 44.8 p -104.69 74.19 1.13 Allowed 'General case' 0 C--O 1.241 0.649 0 N-CA-C 113.811 1.041 . . . . 10.0 113.811 -166.693 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1891 ' ' LYS . . . . . . . . . . . . . 51.1 mtpt -107.49 -72.25 0.73 Allowed 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 125.158 1.383 . . . . 10.0 112.288 -175.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 19.8 t70 -64.72 -19.82 65.98 Favored 'General case' 0 N--CA 1.485 1.29 0 N-CA-C 116.059 1.874 . . . . 10.0 116.059 -169.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1893 ' ' ALA . . . . . . . . . . . . . . . -65.41 -8.14 17.4 Favored 'General case' 0 CA--C 1.555 1.148 0 N-CA-C 114.652 1.353 . . . . 10.0 114.652 169.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . 106.74 35.33 2.83 Favored Glycine 0 CA--C 1.537 1.45 0 C-N-CA 124.95 1.262 . . . . 10.0 112.823 178.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1895 ' ' GLU . . . . . . . . . . . . 0.301 5.7 pt-20 49.14 19.29 0.29 Allowed 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 129.948 3.299 . . . . 10.0 117.463 172.78 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1896 ' ' GLY . . . . . . . . . . . . . . . 171.71 164.73 27.81 Favored Glycine 0 CA--C 1.522 0.527 0 C-N-CA 125.664 1.602 . . . . 10.0 114.323 171.535 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1897 ' ' GLY . . . . . . . . . . . . . . . 127.39 16.76 2.27 Favored Glycine 0 N--CA 1.478 1.45 0 C-N-CA 125.147 1.356 . . . . 10.0 116.007 -179.098 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1898 ' ' LEU . . . . . 0.406 ' HB3' ' CE2' ' A' 1938 ' ' TYR . 0.0 OUTLIER -116.92 161.47 19.29 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 126.405 1.882 . . . . 10.0 114.408 -168.922 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A 1899 ' ' SER . . . . . . . . . . . . . 20.3 t -158.16 155.74 29.63 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.633 1.573 . . . . 10.0 110.574 173.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1900 ' ' LEU . . . . . . . . . . . . . 4.1 pp -146.9 170.59 16.75 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 114.257 1.206 . . . . 10.0 114.257 173.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1901 ' ' ALA . . . . . . . . . . . . . . . -149.15 166.49 28.65 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.577 1.551 . . . . 10.0 111.994 170.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1902 ' ' ILE . . . . . . . . . . . . . 1.5 mp -120.09 131.42 72.5 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 124.087 0.955 . . . . 10.0 109.617 174.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1903 ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -110.49 173.64 6.23 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 127.448 2.299 . . . . 10.0 110.327 170.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1904 ' ' GLY . . . . . . . . . . . . . . . 157.28 -167.08 33.86 Favored Glycine 0 N--CA 1.481 1.641 0 C-N-CA 124.78 1.181 . . . . 10.0 112.889 -175.059 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1905 ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -72.16 -17.56 27.84 Favored 'Trans proline' 0 CA--C 1.537 0.657 0 C-N-CA 122.685 2.257 . . . . 10.0 112.396 172.015 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1906 ' ' SER . . . . . . . . . . . . . 19.1 t -146.96 179.07 7.86 Favored 'General case' 0 C--O 1.245 0.859 0 C-N-CA 129.699 3.2 . . . . 10.0 107.73 -167.165 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1907 ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -122.65 166.19 15.29 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.263 1.025 . . . . 10.0 113.262 -173.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1908 ' ' ALA . . . . . . . . . . . . . . . -146.94 -179.27 6.69 Favored 'General case' 0 CA--C 1.56 1.333 0 C-N-CA 127.156 2.182 . . . . 10.0 110.754 178.304 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1909 ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -123.8 122.12 37.22 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.683 1.193 . . . . 10.0 110.91 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1910 ' ' ILE . . . . . . . . . . . . . 1.6 mp -71.02 120.91 19.83 Favored 'Isoleucine or valine' 0 C--O 1.24 0.589 0 C-N-CA 125.814 1.646 . . . . 10.0 110.279 -178.109 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1911 ' ' SER . . . . . . . . . . . . . 58.1 m -129.16 88.06 2.65 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.799 1.24 . . . . 10.0 111.419 179.038 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1912 ' ' CYS . . . . . . . . . . . . . 25.0 p -63.71 155.13 30.98 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.748 1.619 . . . . 10.0 114.338 174.056 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1913 ' ' THR . . . . . . . . . . . . . 4.2 m -131.79 84.53 2.17 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 125.012 1.325 . . . . 10.0 110.564 178.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1914 ' ' ASP . . . . . . . . . . . . . 21.9 t70 -72.7 98.36 2.36 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 126.549 1.94 . . . . 10.0 111.506 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1915 ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -105.19 159.24 16.02 Favored 'General case' 0 C--O 1.242 0.686 0 C-N-CA 124.734 1.213 . . . . 10.0 110.663 178.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1916 ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -64.01 -16.72 62.28 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 125.506 1.522 . . . . 10.0 114.667 -174.092 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1917 ' ' ASP . . . . . . . . . . . . . 33.6 t70 -79.59 -13.91 59.19 Favored 'General case' 0 CA--C 1.555 1.159 0 C-N-CA 125.606 1.562 . . . . 10.0 112.603 178.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1918 ' ' GLY . . . . . . . . . . . . . . . 109.4 8.67 26.61 Favored Glycine 0 CA--C 1.535 1.311 0 C-N-CA 125.197 1.379 . . . . 10.0 114.608 174.389 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1919 ' ' THR . . . . . . . . . . . . . 68.4 p -83.66 152.53 24.72 Favored 'General case' 0 N--CA 1.478 0.931 0 O-C-N 120.754 -1.439 . . . . 10.0 112.493 176.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1920 ' ' CYS . . . . . 0.458 ' HB3' ' CG2' ' A' 1888 ' ' VAL . 0.5 OUTLIER -112.85 -4.79 13.92 Favored 'General case' 0 CA--C 1.556 1.184 0 N-CA-C 114.433 1.271 . . . . 10.0 114.433 172.418 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A 1921 ' ' SER . . . . . . . . . . . . . 74.7 m 13.63 86.2 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 131.269 3.828 . . . . 10.0 116.511 172.268 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1922 ' ' VAL . . . . . . . . . . . . . 55.3 t -80.87 121.84 35.05 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 C-N-CA 124.889 1.276 . . . . 10.0 112.245 -178.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1923 ' ' SER . . . . . . . . . . . . . 39.3 m -95.99 154.07 17.43 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 126.22 1.808 . . . . 10.0 109.279 168.188 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1924 ' ' TYR . . . . . . . . . . . . . 11.8 p90 -149.17 175.43 11.38 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 127.426 2.291 . . . . 10.0 109.999 171.677 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1925 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -152.45 85.08 4.59 Favored Pre-proline 0 CA--C 1.556 1.178 0 O-C-N 119.837 -1.789 . . . . 10.0 110.868 -170.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1926 ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -71.68 121.82 8.01 Favored 'Trans proline' 0 CA--C 1.539 0.77 0 C-N-CA 124.039 3.159 . . . . 10.0 111.723 -170.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1927 ' ' VAL . . . . . . . . . . . . . 27.5 m -78.39 -17.73 13.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 N-CA-C 114.406 1.261 . . . . 10.0 114.406 -178.257 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1928 ' ' LEU . . . . . . . . . . . . . 17.7 mt -138.95 160.33 63.27 Favored Pre-proline 0 CA--C 1.551 0.985 0 C-N-CA 127.093 2.157 . . . . 10.0 111.352 171.386 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1929 ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -72.01 164.16 36.52 Favored 'Trans proline' 0 CA--C 1.534 0.501 0 C-N-CA 123.893 3.062 . . . . 10.0 111.608 176.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1930 ' ' GLY . . . . . . . . . . . . . . . 159.35 179.11 33.94 Favored Glycine 0 C--N 1.346 1.093 0 N-CA-C 115.713 1.045 . . . . 10.0 115.713 173.113 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1931 ' ' ASP . . . . . . . . . . . . . 15.4 p-10 -88.48 74.34 8.56 Favored 'General case' 0 C--O 1.242 0.679 0 C-N-CA 126.679 1.992 . . . . 10.0 109.937 169.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1932 ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -67.27 153.98 42.38 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 121.593 -0.692 . . . . 10.0 111.156 172.223 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1933 ' ' SER . . . . . . . . . . . . . 23.2 t -130.58 130.68 44.35 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 125.689 1.596 . . . . 10.0 109.872 -177.104 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1934 ' ' ILE . . . . . . . . . . . . . 5.7 mm -102.55 108.97 25.27 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 C-N-CA 124.627 1.171 . . . . 10.0 110.197 -174.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1935 ' ' LEU . . . . . . . . . . . . . 3.8 mm? -96.3 99.57 11.26 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 126.03 1.732 . . . . 10.0 110.46 -178.482 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1936 ' ' VAL . . . . . . . . . . . . . 21.0 t -111.82 134.69 53.46 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.376 0 C-N-CA 124.212 1.005 . . . . 10.0 110.884 -175.115 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1937 ' ' LYS . . . . . . . . . . . . . 94.0 mttt -128.63 154.74 45.94 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 126.303 1.841 . . . . 10.0 113.974 176.092 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1938 ' ' TYR . . . . . 0.406 ' CE2' ' HB3' ' A' 1898 ' ' LEU . 1.0 OUTLIER -135.9 125.3 24.92 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.485 1.514 . . . . 10.0 107.624 168.113 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A 1939 ' ' ASN . . . . . . . . . . . . . 52.7 t30 41.41 59.14 2.47 Favored 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 127.266 2.227 . . . . 10.0 113.817 -171.094 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1940 ' ' GLU . . . . . . . . . . . . . 7.0 tp10 66.51 -3.66 0.83 Allowed 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 128.258 2.623 . . . . 10.0 116.327 177.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1941 ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -110.42 141.28 43.72 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 125.031 1.332 . . . . 10.0 111.75 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1942 ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -67.06 150.75 48.77 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-N 119.772 1.169 . . . . 10.0 113.843 -176.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1943 ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -72.62 166.08 45.72 Favored Pre-proline 0 N--CA 1.477 0.908 0 C-N-CA 125.57 1.548 . . . . 10.0 113.55 -175.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1944 ' ' PRO . . . . . . . . . . . . . 44.5 Cg_exo -58.63 109.46 0.52 Allowed 'Trans proline' 0 CA--C 1.549 1.24 0 C-N-CA 125.206 3.938 . . . . 10.0 113.052 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1945 ' ' GLY . . . . . . . . . . . . . . . 86.56 2.14 85.09 Favored Glycine 0 CA--C 1.544 1.874 0 N-CA-C 115.814 1.086 . . . . 10.0 115.814 -178.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1946 ' ' SER . . . . . . . . . . . . . 2.8 m -67.04 153.54 94.34 Favored Pre-proline 0 N--CA 1.478 0.958 0 CA-C-N 119.636 1.718 . . . . 10.0 112.82 174.411 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1947 ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -75.17 161.51 94.59 Favored 'Cis proline' 0 C--N 1.362 1.247 0 N-CA-C 113.721 0.624 . . . . 10.0 113.721 -10.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1948 ' ' PHE . . . . . . . . . . . . . 78.9 m-85 -100.01 169.1 9.42 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 125.626 1.57 . . . . 10.0 111.87 172.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1949 ' ' THR . . . . . . . . . . . . . 29.9 m -141.41 111.02 6.46 Favored 'General case' 0 N--CA 1.488 1.455 0 CA-C-N 119.83 1.196 . . . . 10.0 112.406 -173.156 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1950 ' ' ALA . . . . . . . . . . . . . . . -106.92 129.81 54.68 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.325 1.45 . . . . 10.0 111.781 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1951 ' ' ARG . . . . . . . . . . . . . 29.1 ptt180 -98.49 22.46 9.78 Favored 'General case' 0 N--CA 1.493 1.706 0 N-CA-C 116.504 2.039 . . . . 10.0 116.504 -168.41 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1952 ' ' VAL . . . . . . . . . . . . . 17.3 t -8.43 104.07 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 131.458 3.903 . . . . 10.0 114.767 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1953 ' ' THR . . . . . . . . . . . . . 25.6 m -82.74 132.28 35.18 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.276 1.431 . . . . 10.0 111.971 -178.031 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1954 ' ' GLY . . . . . . . . . . . . . . . -88.71 160.21 29.92 Favored Glycine 0 N--CA 1.467 0.756 0 C-N-CA 124.491 1.043 . . . . 10.0 112.55 177.17 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1955 ' ' ASP . . . . . . . . . . . . . 32.5 t70 -144.27 -46.3 0.26 Allowed 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 124.302 1.041 . . . . 10.0 113.517 179.107 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1956 ' ' ASP . . . . . . . . . . . . . 34.4 t70 . . . . . 0 C--O 1.257 1.496 0 C-N-CA 125.208 1.403 . . . . 10.0 114.19 175.081 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.784 0 N-CA-C 112.005 -0.438 . . . . 10.0 112.005 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' -3' ' ' ALA . . . . . . . . . . . . . . . -75.34 171.19 14.65 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 124.784 1.234 . . . . 10.0 112.948 179.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -62.64 -9.25 8.36 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 125.354 1.462 . . . . 10.0 114.538 -177.545 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -1' ' ' VAL . . . . . . . . . . . . . 7.6 p -58.64 -18.07 11.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 124.891 1.276 . . . . 10.0 112.738 169.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1863 ' ' VAL . . . . . . . . . . . . . 9.5 p -61.29 -16.8 15.2 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 C-N-CA 125.724 1.61 . . . . 10.0 114.285 171.57 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1864 ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -129.55 172.54 11.46 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 125.551 1.541 . . . . 10.0 113.617 -178.443 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1865 ' ' CYS . . . . . . . . . . . . . 60.4 m 48.93 -141.27 0.64 Allowed 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 126.99 2.116 . . . . 10.0 112.964 -174.559 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1866 ' ' GLY . . . . . . . . . . . . . . . 106.46 -7.98 40.28 Favored Glycine 0 N--CA 1.481 1.665 0 C-N-CA 124.828 1.204 . . . . 10.0 116.09 174.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1867 ' ' HIS . . . . . . . . . . . . . 50.3 t-80 -64.27 160.76 17.99 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.302 1.441 . . . . 10.0 112.202 172.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1868 ' ' VAL . . . . . . . . . . . . . 8.6 p -62.28 153.15 6.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 123.053 0.541 . . . . 10.0 111.628 170.334 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1869 ' ' THR . . . . . . . . . . . . . 82.8 p -134.59 175.23 9.72 Favored 'General case' 0 N--CA 1.488 1.47 0 C-N-CA 124.594 1.158 . . . . 10.0 110.088 173.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1870 ' ' ALA . . . . . . . . . . . . . . . -137.52 120.52 16.58 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.334 1.054 . . . . 10.0 109.353 169.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1871 ' ' TYR . . . . . . . . . . . . . 53.4 p90 -147.11 160.11 42.81 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 125.022 1.329 . . . . 10.0 112.672 -177.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1872 ' ' GLY . . . . . . . . . . . . . . . 137.28 176.79 14.6 Favored Glycine 0 CA--C 1.538 1.481 0 C-N-CA 124.596 1.093 . . . . 10.0 114.08 -178.18 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1873 ' ' PRO . . . . . . . . . . . . . 76.8 Cg_endo -68.13 -30.6 31.3 Favored 'Trans proline' 0 N--CA 1.451 -1.005 0 C-N-CA 123.235 2.624 . . . . 10.0 113.408 179.105 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1874 ' ' GLY . . . . . . . . . . . . . . . -65.45 -9.49 43.9 Favored Glycine 0 CA--C 1.54 1.631 0 N-CA-C 115.929 1.131 . . . . 10.0 115.929 -177.145 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1875 ' ' LEU . . . . . . . . . . . . . 43.4 mt -94.09 -8.28 40.11 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-N 119.56 1.68 . . . . 10.0 113.947 171.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1876 ' ' THR . . . . . . . . . . . . . 35.7 m -120.04 -37.53 3.07 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 125.491 1.516 . . . . 10.0 111.636 -174.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1877 ' ' HIS . . . . . . . . . . . . . 57.3 m80 -128.77 173.44 10.34 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 127.979 2.512 . . . . 10.0 111.036 174.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1878 ' ' GLY . . . . . . . . . . . . . . . -152.56 168.65 31.63 Favored Glycine 0 N--CA 1.472 1.055 0 C-N-CA 126.308 1.908 . . . . 10.0 112.32 174.34 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1879 ' ' VAL . . . . . . . . . . . . . 3.4 t -131.48 115.55 28.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 CA-C-N 118.515 1.158 . . . . 10.0 110.634 178.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1880 ' ' VAL . . . . . 0.429 HG23 HG12 ' A' 1952 ' ' VAL . 76.5 t -63.09 126.92 22.41 Favored 'Isoleucine or valine' 0 C--O 1.236 0.367 0 C-N-CA 124.79 1.236 . . . . 10.0 110.817 -177.749 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1881 ' ' ASN . . . . . . . . . . . . . 75.1 m-20 55.45 22.57 5.14 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 128.002 2.521 . . . . 10.0 114.871 -176.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1882 ' ' LYS . . . . . 0.412 ' HA ' ' HD3' ' A' 1883 ' ' PRO . 0.0 OUTLIER -131.62 128.28 21.74 Favored Pre-proline 0 N--CA 1.486 1.333 0 C-N-CA 125.164 1.385 . . . . 10.0 110.665 169.021 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A 1883 ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' 1882 ' ' LYS . 35.7 Cg_exo -56.46 118.89 5.78 Favored 'Trans proline' 0 C--N 1.357 1.008 0 C-N-CA 123.241 2.627 . . . . 10.0 111.072 -172.172 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1884 ' ' ALA . . . . . . . . . . . . . . . -102.44 156.99 17.23 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.541 1.536 . . . . 10.0 111.286 177.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1885 ' ' THR . . . . . . . . . . . . . 71.3 p -147.95 162.07 40.05 Favored 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 114.513 1.301 . . . . 10.0 114.513 -169.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1886 ' ' PHE . . . . . . . . . . . . . 53.2 p90 -152.37 157.07 40.77 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 127.262 2.225 . . . . 10.0 110.809 167.372 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1887 ' ' THR . . . . . . . . . . . . . 47.1 m -92.94 138.02 31.85 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.705 1.602 . . . . 10.0 110.753 -177.036 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1888 ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -135.65 61.36 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 C-N-CA 128.933 2.893 . . . . 10.0 108.805 -177.531 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1889 ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -62.74 88.99 0.03 OUTLIER 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 130.012 3.325 . . . . 10.0 111.678 -176.141 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1890 ' ' THR . . . . . . . . . . . . . 5.6 p -70.56 54.16 0.15 Allowed 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 130.665 3.586 . . . . 10.0 112.584 170.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1891 ' ' LYS . . . . . . . . . . . . . 1.8 ptmt -48.51 -57.79 5.63 Favored 'General case' 0 N--CA 1.485 1.308 0 N-CA-C 116.951 2.204 . . . . 10.0 116.951 -178.473 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 33.7 t70 -129.47 11.21 5.79 Favored 'General case' 0 CA--C 1.562 1.433 0 C-N-CA 126.336 1.854 . . . . 10.0 111.63 175.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1893 ' ' ALA . . . . . . . . . . . . . . . -58.08 -49.74 75.89 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 128.349 2.659 . . . . 10.0 114.593 -170.216 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . 143.41 -175.24 23.54 Favored Glycine 0 N--CA 1.477 1.393 0 C-N-CA 125.125 1.345 . . . . 10.0 111.847 -171.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1895 ' ' GLU . . . . . . . . . . . . . 4.1 pm0 -69.16 -10.12 56.14 Favored 'General case' 0 CA--C 1.56 1.338 0 N-CA-C 116.483 2.031 . . . . 10.0 116.483 -175.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1896 ' ' GLY . . . . . . . . . . . . . . . 143.57 -174.53 24.01 Favored Glycine 0 CA--C 1.534 1.231 0 C-N-CA 125.897 1.713 . . . . 10.0 113.022 -177.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1897 ' ' GLY . . . . . . . . . . . . . . . 131.5 -3.07 5.41 Favored Glycine 0 C--N 1.352 1.43 0 C-N-CA 125.503 1.525 . . . . 10.0 115.057 176.25 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1898 ' ' LEU . . . . . . . . . . . . . 2.5 tm? -55.08 118.01 3.96 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.522 1.529 . . . . 10.0 111.196 173.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1899 ' ' SER . . . . . . . . . . . . . 19.5 t -131.26 144.02 50.99 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 126.543 1.937 . . . . 10.0 110.576 -178.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1900 ' ' LEU . . . . . . . . . . . . . 82.0 mt -129.64 155.32 46.05 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 125.565 1.546 . . . . 10.0 113.286 -172.208 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1901 ' ' ALA . . . . . . . . . . . . . . . -144.23 111.6 5.97 Favored 'General case' 0 N--CA 1.444 -0.761 0 C-N-CA 125.98 1.712 . . . . 10.0 108.608 166.457 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1902 ' ' ILE . . . . . . . . . . . . . 1.9 mp -97.17 137.03 25.95 Favored 'Isoleucine or valine' 0 C--O 1.243 0.721 0 O-C-N 121.073 -1.017 . . . . 10.0 109.277 173.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1903 ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 -126.61 173.66 9.28 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 126.53 1.932 . . . . 10.0 111.115 176.293 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1904 ' ' GLY . . . . . . . . . . . . . . . 156.88 -164.95 32.96 Favored Glycine 0 N--CA 1.479 1.52 0 C-N-CA 123.818 0.723 . . . . 10.0 112.02 -176.233 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1905 ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -71.05 -18.21 31.16 Favored 'Trans proline' 0 CA--C 1.545 1.058 0 C-N-CA 122.704 2.27 . . . . 10.0 112.081 169.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1906 ' ' SER . . . . . . . . . . . . . 17.6 t -147.53 -174.9 4.66 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 128.279 2.632 . . . . 10.0 109.128 -168.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1907 ' ' LYS . . . . . . . . . . . . . 98.7 mttt -123.3 165.42 17.0 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 124.973 1.309 . . . . 10.0 113.718 -168.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1908 ' ' ALA . . . . . . . . . . . . . . . -139.62 137.57 35.41 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.157 1.383 . . . . 10.0 113.094 178.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1909 ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -63.25 153.91 33.17 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 123.617 0.767 . . . . 10.0 110.605 167.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1910 ' ' ILE . . . . . . . . . . . . . 25.3 mm -125.07 126.84 71.75 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.732 0 C-N-CA 125.256 1.422 . . . . 10.0 110.481 -177.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1911 ' ' SER . . . . . . . . . . . . . 56.4 m -135.43 157.23 47.41 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 127.621 2.368 . . . . 10.0 110.898 172.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1912 ' ' CYS . . . . . . . . . . . . . 26.3 p -157.05 166.51 33.12 Favored 'General case' 0 C--N 1.349 0.55 0 C-N-CA 125.374 1.469 . . . . 10.0 112.669 179.006 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1913 ' ' THR . . . . . . . . . . . . . 85.0 m -103.64 94.32 5.39 Favored 'General case' 0 N--CA 1.476 0.843 0 O-C-N 120.66 -1.275 . . . . 10.0 109.372 171.001 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1914 ' ' ASP . . . . . . . . . . . . . 30.8 t70 -59.11 -29.1 67.12 Favored 'General case' 0 C--O 1.246 0.871 0 C-N-CA 125.646 1.579 . . . . 10.0 113.641 -174.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1915 ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -65.68 108.78 2.19 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 125.613 1.565 . . . . 10.0 110.509 171.027 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1916 ' ' GLN . . . . . . . . . . . . . 10.7 tm0? -68.1 70.8 0.16 Allowed 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 126.443 1.897 . . . . 10.0 112.09 174.179 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1917 ' ' ASP . . . . . . . . . . . . . 33.5 t70 -86.28 5.31 35.08 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 127.483 2.313 . . . . 10.0 112.705 176.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1918 ' ' GLY . . . . . . . . . . . . . . . 133.09 -18.57 4.46 Favored Glycine 0 CA--C 1.533 1.182 0 C-N-CA 127.596 2.522 . . . . 10.0 113.642 -176.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1919 ' ' THR . . . . . . . . . . . . . 2.4 t -156.51 152.43 27.34 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.172 1.389 . . . . 10.0 111.436 175.337 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1920 ' ' CYS . . . . . . . . . . . . . 7.3 t -81.11 0.4 36.33 Favored 'General case' 0 CA--C 1.558 1.27 0 C-N-CA 125.358 1.463 . . . . 10.0 114.024 174.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1921 ' ' SER . . . . . . . . . . . . . 5.7 t 28.06 75.04 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 131.149 3.779 . . . . 10.0 115.188 175.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1922 ' ' VAL . . . . . . . . . . . . . 24.8 t -71.52 133.95 30.87 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.205 0 C-N-CA 125.026 1.33 . . . . 10.0 111.496 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1923 ' ' SER . . . . . . . . . . . . . 67.8 m -126.01 139.3 53.53 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 127.031 2.132 . . . . 10.0 109.938 168.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1924 ' ' TYR . . . . . . . . . . . . . 24.5 p90 -140.32 162.24 35.77 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 124.469 1.108 . . . . 10.0 111.034 176.257 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1925 ' ' LEU . . . . . . . . . . . . . 2.0 tm? -143.57 94.4 6.1 Favored Pre-proline 0 CA--C 1.542 0.635 0 CA-C-O 118.39 -0.814 . . . . 10.0 109.966 -172.587 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1926 ' ' PRO . . . . . . . . . . . . . 50.7 Cg_endo -75.21 155.72 42.01 Favored 'Trans proline' 0 CA--C 1.54 0.801 0 C-N-CA 123.54 2.827 . . . . 10.0 110.702 175.101 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1927 ' ' VAL . . . . . . . . . . . . . 29.2 m -111.7 -16.06 9.53 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 N-CA-C 115.869 1.803 . . . . 10.0 115.869 -175.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1928 ' ' LEU . . . . . . . . . . . . . 18.9 mt -143.35 159.1 56.37 Favored Pre-proline 0 CA--C 1.543 0.674 0 C-N-CA 126.34 1.856 . . . . 10.0 112.296 170.312 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1929 ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -74.52 164.03 34.79 Favored 'Trans proline' 0 CA--C 1.536 0.579 0 C-N-CA 123.672 2.915 . . . . 10.0 112.128 -177.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1930 ' ' GLY . . . . . . . . . . . . . . . 153.31 -179.85 29.36 Favored Glycine 0 CA--C 1.54 1.598 0 N-CA-C 117.098 1.599 . . . . 10.0 117.098 177.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1931 ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -85.23 88.58 7.5 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.395 1.478 . . . . 10.0 109.288 169.106 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1932 ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -82.49 161.65 22.31 Favored 'General case' 0 C--O 1.222 -0.378 0 O-C-N 121.463 -0.773 . . . . 10.0 110.51 173.131 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1933 ' ' SER . . . . . . . . . . . . . 70.4 m -124.31 146.91 48.51 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 125.313 1.445 . . . . 10.0 110.794 174.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1934 ' ' ILE . . . . . . . . . . . . . 3.8 mm -119.11 109.77 27.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 C-N-CA 125.602 1.561 . . . . 10.0 109.389 -178.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1935 ' ' LEU . . . . . . . . . . . . . 2.0 mm? -98.19 110.02 22.67 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 126.148 1.779 . . . . 10.0 108.081 170.272 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1936 ' ' VAL . . . . . . . . . . . . . 22.7 t -108.16 133.59 52.61 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 C-N-CA 126.013 1.725 . . . . 10.0 110.49 177.46 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1937 ' ' LYS . . . . . . . . . . . . . 99.0 mttt -132.11 154.57 49.34 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 125.048 1.339 . . . . 10.0 111.426 170.422 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1938 ' ' TYR . . . . . . . . . . . . . 45.3 t80 -125.08 -27.23 3.57 Favored 'General case' 0 N--CA 1.486 1.327 0 N-CA-C 117.252 2.316 . . . . 10.0 117.252 174.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1939 ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -143.19 50.97 1.39 Allowed 'General case' 0 CA--C 1.558 1.261 0 C-N-CA 126.161 1.785 . . . . 10.0 111.309 -173.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1940 ' ' GLU . . . . . . . . . . . . . 5.8 tp10 58.64 10.56 1.46 Allowed 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 127.084 2.154 . . . . 10.0 113.462 -168.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1941 ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -137.72 147.12 44.5 Favored 'General case' 0 C--O 1.239 0.532 0 C-N-CA 127.611 2.364 . . . . 10.0 110.379 -170.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1942 ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -69.87 147.38 50.38 Favored 'General case' 0 C--O 1.241 0.652 0 N-CA-C 114.229 1.196 . . . . 10.0 114.229 -173.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1943 ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -69.19 164.83 44.82 Favored Pre-proline 0 C--O 1.242 0.701 0 C-N-CA 126.296 1.838 . . . . 10.0 113.276 175.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1944 ' ' PRO . . . . . . . . . . . . . 49.4 Cg_exo -59.94 115.32 2.54 Favored 'Trans proline' 0 CA--C 1.544 0.993 0 C-N-CA 124.792 3.662 . . . . 10.0 111.583 -176.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1945 ' ' GLY . . . . . . . . . . . . . . . 88.82 -6.01 84.06 Favored Glycine 0 N--CA 1.474 1.221 0 C-N-CA 126.087 1.803 . . . . 10.0 116.529 177.147 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1946 ' ' SER . . . . . . . . . . . . . 15.6 m -63.43 156.87 68.21 Favored Pre-proline 0 CA--C 1.551 0.989 0 CA-C-N 119.652 1.726 . . . . 10.0 114.854 172.076 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1947 ' ' PRO . . . . . . . . . . . . . 80.7 Cg_endo -76.0 172.26 63.99 Favored 'Cis proline' 0 CA--C 1.552 1.402 0 N-CA-C 114.343 0.863 . . . . 10.0 114.343 -7.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1948 ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -125.1 166.14 16.94 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 127.015 2.126 . . . . 10.0 111.347 178.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1949 ' ' THR . . . . . . . . . . . . . 28.5 m -134.48 101.84 5.11 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 125.354 1.461 . . . . 10.0 109.91 -179.378 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1950 ' ' ALA . . . . . . . . . . . . . . . -90.06 127.72 36.13 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.441 1.496 . . . . 10.0 111.656 -176.339 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1951 ' ' ARG . . . . . . . . . . . . . 40.2 ttm-85 -93.47 87.4 5.55 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 125.243 1.417 . . . . 10.0 113.054 173.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1952 ' ' VAL . . . . . 0.429 HG12 HG23 ' A' 1880 ' ' VAL . 2.4 t -63.98 115.32 2.6 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 C-N-CA 129.617 3.167 . . . . 10.0 112.115 171.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1953 ' ' THR . . . . . . . . . . . . . 6.2 t -102.26 146.5 27.91 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 124.869 1.268 . . . . 10.0 112.709 -179.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1954 ' ' GLY . . . . . . . . . . . . . . . -69.07 168.8 44.11 Favored Glycine 0 CA--C 1.534 1.247 0 N-CA-C 114.678 0.631 . . . . 10.0 114.678 -175.174 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1955 ' ' ASP . . . . . . . . . . . . . 38.8 t70 -154.83 -46.98 0.09 Allowed 'General case' 0 CA--C 1.555 1.139 0 C-N-CA 125.316 1.446 . . . . 10.0 112.11 174.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1956 ' ' ASP . . . . . . . . . . . . . 34.0 t70 . . . . . 0 N--CA 1.492 1.651 0 C-N-CA 125.503 1.521 . . . . 10.0 113.185 -179.095 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.345 0 N-CA-C 111.547 -0.621 . . . . 10.0 111.547 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' -3' ' ' ALA . . . . . . . . . . . . . . . -146.3 -172.86 4.04 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 126.075 1.75 . . . . 10.0 111.63 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 57.8 mtt 62.36 23.92 14.21 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 125.289 1.435 . . . . 10.0 114.547 174.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -1' ' ' VAL . . . . . . . . . . . . . 9.1 p -136.04 151.31 28.88 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 125.855 1.662 . . . . 10.0 111.291 -179.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1863 ' ' VAL . . . . . . . . . . . . . 57.8 t -68.13 125.25 25.43 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 C-N-CA 125.498 1.519 . . . . 10.0 111.546 -176.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1864 ' ' ASN . . . . . . . . . . . . . 35.5 t30 -69.4 -25.33 64.09 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 115.038 1.495 . . . . 10.0 115.038 -174.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1865 ' ' CYS . . . . . . . . . . . . . 44.8 t -136.97 -72.11 0.44 Allowed 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 125.473 1.509 . . . . 10.0 112.436 176.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1866 ' ' GLY . . . . . . . . . . . . . . . 81.16 8.06 87.74 Favored Glycine 0 CA--C 1.541 1.671 0 C-N-CA 125.269 1.414 . . . . 10.0 115.587 176.547 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1867 ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -116.25 176.85 4.91 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 126.531 1.932 . . . . 10.0 111.731 172.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1868 ' ' VAL . . . . . . . . . . . . . 14.7 p -55.5 122.65 5.09 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.679 0 C-N-CA 126.075 1.75 . . . . 10.0 112.043 177.63 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1869 ' ' THR . . . . . . . . . . . . . 26.9 p -144.88 159.38 43.0 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 126.631 1.972 . . . . 10.0 112.889 -173.174 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1870 ' ' ALA . . . . . . . . . . . . . . . -120.15 143.43 48.21 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 128.756 2.822 . . . . 10.0 112.96 173.7 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1871 ' ' TYR . . . . . . . . . . . . . 15.7 p90 -156.79 163.91 38.69 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.458 1.503 . . . . 10.0 113.257 175.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1872 ' ' GLY . . . . . . . . . . . . . . . 124.59 166.71 12.49 Favored Glycine 0 CA--C 1.538 1.477 0 C-N-CA 126.262 1.887 . . . . 10.0 113.782 176.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1873 ' ' PRO . . . . . . . . . . . . . 25.4 Cg_exo -59.53 -37.82 86.58 Favored 'Trans proline' 0 CA--C 1.54 0.812 0 C-N-CA 123.768 2.979 . . . . 10.0 113.898 179.16 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1874 ' ' GLY . . . . . . . . . . . . . . . -57.66 -24.38 52.87 Favored Glycine 0 CA--C 1.531 1.048 0 C-N-CA 126.553 2.025 . . . . 10.0 116.066 -173.307 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1875 ' ' LEU . . . . . . . . . . . . . 24.6 mt -77.66 -12.49 59.97 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.131 1.372 . . . . 10.0 113.853 176.061 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1876 ' ' THR . . . . . . . . . . . . . 89.6 m -124.92 -39.28 2.27 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 126.018 1.727 . . . . 10.0 112.013 -171.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1877 ' ' HIS . . . . . . . . . . . . . 52.0 m-70 -132.53 172.49 12.43 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.787 1.635 . . . . 10.0 112.374 174.581 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1878 ' ' GLY . . . . . . . . . . . . . . . -155.11 176.1 32.88 Favored Glycine 0 CA--C 1.544 1.873 0 C-N-CA 124.009 0.814 . . . . 10.0 113.25 178.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1879 ' ' VAL . . . . . . . . . . . . . 17.7 t -132.96 112.06 17.71 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 C-N-CA 125.369 1.468 . . . . 10.0 109.603 175.321 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1880 ' ' VAL . . . . . . . . . . . . . 58.7 t -58.71 137.93 20.44 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.617 0 C-N-CA 123.108 0.563 . . . . 10.0 111.105 177.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1881 ' ' ASN . . . . . . . . . . . . . 4.7 m-80 61.31 7.79 1.85 Allowed 'General case' 0 CA--C 1.554 1.125 0 C-N-CA 126.728 2.011 . . . . 10.0 116.125 -176.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1882 ' ' LYS . . . . . 0.452 ' HA ' ' HD3' ' A' 1883 ' ' PRO . 43.6 tptt -121.22 144.08 38.86 Favored Pre-proline 0 N--CA 1.478 0.95 0 CA-C-N 119.72 1.145 . . . . 10.0 110.846 171.227 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1883 ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' A' 1882 ' ' LYS . 51.8 Cg_exo -61.71 116.38 3.4 Favored 'Trans proline' 0 CA--C 1.542 0.898 0 C-N-CA 123.316 2.678 . . . . 10.0 112.975 -171.469 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1884 ' ' ALA . . . . . . . . . . . . . . . -86.36 148.14 25.72 Favored 'General case' 0 CA--C 1.559 1.311 0 C-N-CA 123.966 0.906 . . . . 10.0 111.737 171.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1885 ' ' THR . . . . . . . . . . . . . 72.1 p -147.01 166.2 27.56 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.835 0.854 . . . . 10.0 112.104 178.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1886 ' ' PHE . . . . . . . . . . . . . 10.4 p90 -148.36 172.51 14.29 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 126.572 1.949 . . . . 10.0 110.289 168.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1887 ' ' THR . . . . . . . . . . . . . 47.2 m -126.79 136.76 52.83 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-O 123.122 1.439 . . . . 10.0 110.468 172.038 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1888 ' ' VAL . . . . . . . . . . . . . 2.0 t -146.42 123.95 3.99 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.094 0 C-N-CA 129.11 2.964 . . . . 10.0 105.189 -167.063 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1889 ' ' ASN . . . . . . . . . . . . . 15.1 t-20 -130.39 119.48 22.78 Favored 'General case' 0 C--O 1.245 0.854 0 O-C-N 123.926 0.766 . . . . 10.0 110.603 -168.013 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1890 ' ' THR . . . . . . . . . . . . . 24.4 p -84.77 60.38 6.12 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 126.318 1.847 . . . . 10.0 114.141 -169.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1891 ' ' LYS . . . . . . . . . . . . . 56.3 mttm -63.65 126.67 28.32 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 125.184 1.394 . . . . 10.0 111.361 176.319 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 21.8 t70 59.32 11.4 2.16 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 126.222 1.809 . . . . 10.0 115.816 179.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1893 ' ' ALA . . . . . . . . . . . . . . . -69.79 -12.95 62.02 Favored 'General case' 0 CA--C 1.554 1.132 0 C-N-CA 125.173 1.389 . . . . 10.0 114.23 -179.043 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . 61.46 -97.45 0.14 Allowed Glycine 0 CA--C 1.534 1.278 0 C-N-CA 127.24 2.352 . . . . 10.0 113.889 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1895 ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -77.54 -5.2 49.26 Favored 'General case' 0 N--CA 1.482 1.151 0 O-C-N 120.82 -1.4 . . . . 10.0 114.498 177.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1896 ' ' GLY . . . . . . . . . . . . . . . 79.96 -105.9 2.39 Favored Glycine 0 CA--C 1.525 0.675 0 C-N-CA 126.041 1.782 . . . . 10.0 111.286 178.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1897 ' ' GLY . . . . . . . . . . . . . . . 75.33 10.35 84.42 Favored Glycine 0 CA--C 1.539 1.569 0 N-CA-C 116.07 1.188 . . . . 10.0 116.07 177.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1898 ' ' LEU . . . . . . . . . . . . . 8.1 tt -68.03 135.61 52.55 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-N 119.525 1.662 . . . . 10.0 111.528 173.096 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1899 ' ' SER . . . . . . . . . . . . . 8.2 t -127.96 165.81 19.54 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.929 1.692 . . . . 10.0 110.26 169.138 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1900 ' ' LEU . . . . . 0.42 HD21 HG21 ' A' 1922 ' ' VAL . 1.0 OUTLIER -154.99 173.46 16.54 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 113.975 1.102 . . . . 10.0 113.975 172.338 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A 1901 ' ' ALA . . . . . . . . . . . . . . . -145.66 169.32 18.7 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.312 1.445 . . . . 10.0 111.482 168.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1902 ' ' ILE . . . . . . . . . . . . . 2.0 mp -125.52 129.38 72.84 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 126.511 1.924 . . . . 10.0 108.574 170.239 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1903 ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -127.97 177.09 7.11 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 126.489 1.916 . . . . 10.0 110.669 176.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1904 ' ' GLY . . . . . . . . . . . . . . . 154.61 -129.63 2.64 Favored Glycine 0 CA--C 1.53 0.983 0 C-N-CA 125.994 1.759 . . . . 10.0 111.257 174.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1905 ' ' PRO . . . . . . . . . . . . . 26.3 Cg_endo -76.27 -12.57 19.07 Favored 'Trans proline' 0 CA--C 1.544 1.02 0 C-N-CA 123.623 2.882 . . . . 10.0 112.993 170.138 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1906 ' ' SER . . . . . . . . . . . . . 16.1 t -156.81 176.79 12.27 Favored 'General case' 0 C--O 1.242 0.669 0 C-N-CA 128.107 2.563 . . . . 10.0 110.034 -166.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1907 ' ' LYS . . . . . . . . . . . . . 58.8 mttp -130.68 107.81 9.44 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 126.312 1.845 . . . . 10.0 110.208 177.114 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1908 ' ' ALA . . . . . . . . . . . . . . . -64.43 155.24 33.23 Favored 'General case' 0 CA--C 1.554 1.127 0 C-N-CA 124.355 1.062 . . . . 10.0 112.031 173.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1909 ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -77.84 97.98 5.43 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 124.142 0.977 . . . . 10.0 110.808 174.066 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1910 ' ' ILE . . . . . . . . . . . . . 22.2 mt -76.16 130.46 36.2 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.023 0 C-N-CA 124.939 1.296 . . . . 10.0 110.98 -178.147 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1911 ' ' SER . . . . . . . . . . . . . 26.5 m -131.35 155.12 47.79 Favored 'General case' 0 N--CA 1.466 0.375 0 C-N-CA 127.81 2.444 . . . . 10.0 111.522 173.58 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1912 ' ' CYS . . . . . . . . . . . . . 27.9 p -152.41 171.81 17.47 Favored 'General case' 0 CA--C 1.555 1.158 0 C-N-CA 124.581 1.153 . . . . 10.0 111.78 173.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1913 ' ' THR . . . . . . . . . . . . . 52.8 m -134.97 134.02 40.1 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 125.016 1.326 . . . . 10.0 109.544 177.014 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1914 ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -72.63 40.04 0.08 Allowed 'General case' 0 CA--C 1.558 1.275 0 C-N-CA 129.082 2.953 . . . . 10.0 114.489 -178.203 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1915 ' ' ASN . . . . . . . . . . . . . 58.4 t30 -61.71 117.37 5.72 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 125.641 1.576 . . . . 10.0 111.922 -177.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1916 ' ' GLN . . . . . . . . . . . . . 69.3 mm-40 -68.56 4.39 1.42 Allowed 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 125.469 1.507 . . . . 10.0 114.363 178.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1917 ' ' ASP . . . . . . . . . . . . . 15.9 t70 -75.18 -6.1 47.9 Favored 'General case' 0 C--O 1.245 0.834 0 CA-C-N 119.833 1.197 . . . . 10.0 112.452 168.18 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1918 ' ' GLY . . . . . . . . . . . . . . . 96.22 -2.02 63.08 Favored Glycine 0 CA--C 1.54 1.648 0 C-N-CA 125.583 1.563 . . . . 10.0 114.552 179.188 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1919 ' ' THR . . . . . . . . . . . . . 35.9 p -79.31 128.78 33.75 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 121.246 -1.149 . . . . 10.0 112.16 179.023 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1920 ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -94.5 75.9 3.83 Favored 'General case' 0 C--O 1.237 0.417 0 N-CA-C 107.091 -1.448 . . . . 10.0 107.091 168.674 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1921 ' ' SER . . . . . . . . . . . . . 40.4 m -69.73 69.11 0.28 Allowed 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 126.611 1.965 . . . . 10.0 112.99 -169.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1922 ' ' VAL . . . . . 0.42 HG21 HD21 ' A' 1900 ' ' LEU . 53.7 t -70.02 123.39 23.73 Favored 'Isoleucine or valine' 0 C--O 1.245 0.85 0 C-N-CA 126.21 1.804 . . . . 10.0 110.918 177.727 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1923 ' ' SER . . . . . . . . . . . . . 80.4 p -123.87 148.92 46.38 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 125.275 1.43 . . . . 10.0 110.699 167.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1924 ' ' TYR . . . . . . . . . . . . . 12.0 p90 -157.56 172.16 19.06 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.714 1.206 . . . . 10.0 110.839 -176.51 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1925 ' ' LEU . . . . . . . . . . . . . 1.3 mt -140.52 92.92 8.94 Favored Pre-proline 0 CA--C 1.538 0.514 0 C-N-CA 124.117 0.967 . . . . 10.0 110.218 -174.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1926 ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -67.56 118.08 5.33 Favored 'Trans proline' 0 CA--C 1.533 0.435 0 C-N-CA 122.304 2.003 . . . . 10.0 112.371 173.015 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1927 ' ' VAL . . . . . . . . . . . . . 27.0 m -92.35 -6.21 10.66 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 O-C-N 120.638 -1.289 . . . . 10.0 113.982 -175.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1928 ' ' LEU . . . . . . . . . . . . . 2.7 tt -140.98 131.25 13.25 Favored Pre-proline 0 CA--C 1.543 0.678 0 C-N-CA 125.704 1.602 . . . . 10.0 112.49 -175.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1929 ' ' PRO . . . . . . . . . . . . . 19.1 Cg_exo -56.42 124.01 15.23 Favored 'Trans proline' 0 CA--C 1.543 0.947 0 C-N-CA 123.567 2.845 . . . . 10.0 113.182 177.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1930 ' ' GLY . . . . . . . . . . . . . . . -166.19 175.6 41.66 Favored Glycine 0 N--CA 1.479 1.503 0 N-CA-C 117.0 1.56 . . . . 10.0 117.0 -169.349 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1931 ' ' ASP . . . . . . . . . . . . . 81.2 m-20 -108.92 76.49 1.01 Allowed 'General case' 0 C--O 1.245 0.861 0 C-N-CA 126.844 2.058 . . . . 10.0 108.613 175.403 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1932 ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -74.21 151.15 40.02 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 120.9 -1.125 . . . . 10.0 111.467 -171.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1933 ' ' SER . . . . . . . . . . . . . 67.5 m -103.56 122.71 45.53 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 125.555 1.542 . . . . 10.0 110.506 171.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1934 ' ' ILE . . . . . . . . . . . . . 16.6 mm -85.83 109.98 19.17 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.67 0 N-CA-C 108.603 -0.888 . . . . 10.0 108.603 167.379 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1935 ' ' LEU . . . . . . . . . . . . . 2.6 mm? -89.45 84.04 6.39 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.8 1.24 . . . . 10.0 109.365 179.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1936 ' ' VAL . . . . . . . . . . . . . 22.0 t -80.81 98.35 3.71 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.228 0 O-C-N 120.543 -1.348 . . . . 10.0 110.98 178.189 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1937 ' ' LYS . . . . . . . . . . . . . 29.7 mtpt -99.84 84.25 2.87 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 128.182 2.593 . . . . 10.0 112.296 -175.186 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1938 ' ' TYR . . . . . . . . . . . . . 59.4 t80 -69.61 102.88 1.95 Allowed 'General case' 0 C--O 1.241 0.64 0 C-N-CA 123.497 0.719 . . . . 10.0 110.486 171.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1939 ' ' ASN . . . . . . . . . . . . . 14.7 t-20 50.32 62.49 2.65 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 125.561 1.544 . . . . 10.0 113.536 -169.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1940 ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 62.45 11.21 4.48 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 127.348 2.259 . . . . 10.0 116.167 171.365 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1941 ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -136.83 146.29 45.46 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.459 1.104 . . . . 10.0 110.614 169.439 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1942 ' ' HIS . . . . . . . . . . . . . 60.5 m-70 -65.83 143.03 57.73 Favored 'General case' 0 C--O 1.247 0.968 0 O-C-N 120.567 -1.333 . . . . 10.0 114.566 -169.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1943 ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -67.34 165.47 28.46 Favored Pre-proline 0 CA--C 1.544 0.722 0 C-N-CA 126.662 1.985 . . . . 10.0 112.671 174.739 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1944 ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -54.41 111.85 0.83 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 C-N-CA 125.136 3.891 . . . . 10.0 111.614 -176.175 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1945 ' ' GLY . . . . . . . . . . . . . . . 85.59 -2.63 87.89 Favored Glycine 0 CA--C 1.552 2.382 0 C-N-CA 125.986 1.755 . . . . 10.0 117.01 176.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1946 ' ' SER . . . . . . . . . . . . . 2.0 m -67.36 158.37 82.29 Favored Pre-proline 0 N--CA 1.483 1.208 0 CA-C-N 119.525 1.663 . . . . 10.0 112.602 172.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1947 ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -75.96 169.33 74.77 Favored 'Cis proline' 0 CA--C 1.547 1.161 0 N-CA-C 115.525 1.317 . . . . 10.0 115.525 -2.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1948 ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -107.09 117.17 33.35 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.797 1.639 . . . . 10.0 111.507 177.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1949 ' ' THR . . . . . . . . . . . . . 29.3 m -75.53 95.44 3.31 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 126.484 1.914 . . . . 10.0 111.22 177.005 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1950 ' ' ALA . . . . . . . . . . . . . . . -88.78 103.02 15.58 Favored 'General case' 0 C--O 1.243 0.743 0 C-N-CA 127.332 2.253 . . . . 10.0 113.846 178.359 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1951 ' ' ARG . . . . . . . . . . . . . 17.2 ttm180 -82.23 80.99 8.29 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 125.061 1.344 . . . . 10.0 112.702 -179.347 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1952 ' ' VAL . . . . . . . . . . . . . 3.0 t -59.22 100.13 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.548 0.901 0 C-N-CA 127.78 2.432 . . . . 10.0 112.731 169.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1953 ' ' THR . . . . . . . . . . . . . 7.2 t -73.75 151.48 40.64 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-O 121.229 0.537 . . . . 10.0 111.586 169.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1954 ' ' GLY . . . . . . . . . . . . . . . -117.21 161.21 13.22 Favored Glycine 0 CA--C 1.538 1.509 0 C-N-CA 125.337 1.446 . . . . 10.0 114.353 -175.013 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1955 ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -99.44 -5.74 28.88 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 126.348 1.859 . . . . 10.0 114.997 172.001 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1956 ' ' ASP . . . . . . . . . . . . . 28.4 t70 . . . . . 0 N--CA 1.484 1.25 0 C-N-CA 128.136 2.574 . . . . 10.0 112.75 -179.004 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.717 0 N-CA-C 110.822 -0.911 . . . . 10.0 110.822 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' -3' ' ' ALA . . . . . . . . . . . . . . . -73.01 169.11 17.64 Favored 'General case' 0 CA--C 1.55 0.96 0 N-CA-C 113.132 0.789 . . . . 10.0 113.132 179.339 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 90.6 mtp -137.25 155.97 48.84 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 126.079 1.752 . . . . 10.0 110.314 177.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -1' ' ' VAL . . . . . . . . . . . . . 8.8 p -128.77 -6.69 3.46 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 125.652 1.581 . . . . 10.0 113.451 -179.598 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1863 ' ' VAL . . . . . . . . . . . . . 40.7 t -57.5 105.4 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 125.899 1.679 . . . . 10.0 112.175 -173.429 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1864 ' ' ASN . . . . . . . . . . . . . 7.4 p30 -132.15 -6.24 3.45 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 125.548 1.539 . . . . 10.0 113.809 175.208 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1865 ' ' CYS . . . . . . . . . . . . . 42.5 t -111.7 146.88 36.74 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 126.529 1.932 . . . . 10.0 109.299 172.224 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1866 ' ' GLY . . . . . . . . . . . . . . . -86.07 176.57 48.91 Favored Glycine 0 CA--C 1.535 1.281 0 C-N-CA 124.451 1.024 . . . . 10.0 114.09 -177.331 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1867 ' ' HIS . . . . . . . . . . . . . 6.5 m80 -144.41 169.56 17.71 Favored 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 126.934 2.094 . . . . 10.0 110.99 171.359 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1868 ' ' VAL . . . . . . . . . . . . . 14.1 p -59.23 139.79 18.41 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.795 0 C-N-CA 125.92 1.688 . . . . 10.0 113.008 177.096 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1869 ' ' THR . . . . . . . . . . . . . 49.7 p -145.83 164.22 32.6 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 126.41 1.884 . . . . 10.0 111.408 -179.416 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1870 ' ' ALA . . . . . . . . . . . . . . . -135.43 135.4 40.54 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.637 1.575 . . . . 10.0 110.515 173.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1871 ' ' TYR . . . . . . . . . . . . . 36.0 p90 -161.3 166.9 26.86 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.234 1.414 . . . . 10.0 112.111 -178.247 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1872 ' ' GLY . . . . . . . . . . . . . . . 133.08 170.4 12.44 Favored Glycine 0 CA--C 1.544 1.866 0 C-N-CA 126.025 1.774 . . . . 10.0 114.163 171.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1873 ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -73.31 -19.32 22.44 Favored 'Trans proline' 0 CA--C 1.546 1.101 0 C-N-CA 124.003 3.136 . . . . 10.0 112.993 -174.394 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1874 ' ' GLY . . . . . . . . . . . . . . . -58.96 -34.6 79.42 Favored Glycine 0 N--CA 1.476 1.31 0 O-C-N 120.781 -1.199 . . . . 10.0 113.622 172.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1875 ' ' LEU . . . . . . . . . . . . . 21.4 mt -70.85 -4.93 26.79 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 124.481 1.112 . . . . 10.0 113.754 174.313 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1876 ' ' THR . . . . . . . . . . . . . 46.7 m -114.61 -41.82 3.36 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 126.854 2.062 . . . . 10.0 113.253 176.186 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1877 ' ' HIS . . . . . . . . . . . . . 35.7 m80 -133.33 143.04 48.75 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.828 1.251 . . . . 10.0 113.087 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1878 ' ' GLY . . . . . . . . . . . . . . . -123.26 168.44 15.46 Favored Glycine 0 CA--C 1.547 2.093 0 C-N-CA 125.013 1.292 . . . . 10.0 113.38 177.002 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1879 ' ' VAL . . . . . . . . . . . . . 21.6 t -137.04 110.19 8.12 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 C-N-CA 125.23 1.412 . . . . 10.0 109.934 175.057 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1880 ' ' VAL . . . . . . . . . . . . . 58.3 t -55.38 127.96 14.95 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 C-N-CA 124.434 1.094 . . . . 10.0 110.967 -177.509 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1881 ' ' ASN . . . . . . . . . . . . . 81.2 m-20 64.27 15.11 9.19 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 127.558 2.343 . . . . 10.0 115.941 -177.257 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1882 ' ' LYS . . . . . 0.441 ' HA ' ' HD3' ' A' 1883 ' ' PRO . 47.5 tptt -125.14 134.45 25.76 Favored Pre-proline 0 C--N 1.355 0.814 0 CA-C-N 120.531 1.514 . . . . 10.0 111.274 170.202 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1883 ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' 1882 ' ' LYS . 31.6 Cg_exo -56.94 110.52 0.6 Allowed 'Trans proline' 0 C--N 1.358 1.056 0 C-N-CA 123.453 2.769 . . . . 10.0 113.281 -169.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1884 ' ' ALA . . . . . . . . . . . . . . . -81.16 153.36 27.29 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-O 122.104 0.954 . . . . 10.0 110.739 172.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1885 ' ' THR . . . . . . . . . . . . . 58.2 p -147.53 153.87 40.02 Favored 'General case' 0 N--CA 1.483 1.22 0 O-C-N 120.145 -1.597 . . . . 10.0 113.322 -176.25 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1886 ' ' PHE . . . . . . . . . . . . . 42.0 p90 -148.3 169.44 20.12 Favored 'General case' 0 C--O 1.239 0.548 0 C-N-CA 124.784 1.234 . . . . 10.0 112.401 167.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1887 ' ' THR . . . . . . . . . . . . . 93.8 m -103.12 131.4 50.16 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.977 1.311 . . . . 10.0 111.018 -174.106 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1888 ' ' VAL . . . . . . . . . . . . . 2.8 m -129.77 147.3 33.27 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.334 0 C-N-CA 125.594 1.558 . . . . 10.0 108.868 168.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1889 ' ' ASN . . . . . . . . . . . . . 3.4 t30 -129.96 76.82 1.75 Allowed 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.497 1.519 . . . . 10.0 111.521 -166.244 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1890 ' ' THR . . . . . . . . . . . . . 14.6 p -81.57 95.76 7.25 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 128.448 2.699 . . . . 10.0 111.643 -175.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1891 ' ' LYS . . . . . . . . . . . . . 60.5 pttt -57.8 -28.26 63.85 Favored 'General case' 0 N--CA 1.482 1.175 0 N-CA-C 113.167 0.802 . . . . 10.0 113.167 176.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 26.9 t70 -142.46 -66.55 0.39 Allowed 'General case' 0 CA--C 1.557 1.216 0 C-N-CA 125.045 1.338 . . . . 10.0 112.372 170.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1893 ' ' ALA . . . . . . . . . . . . . . . 55.66 -55.16 0.02 OUTLIER 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 128.721 2.808 . . . . 10.0 116.527 -174.097 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . 62.84 -159.69 35.19 Favored Glycine 0 CA--C 1.547 2.035 0 C-N-CA 125.399 1.476 . . . . 10.0 113.703 177.495 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1895 ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -68.37 -2.33 8.25 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 116.033 1.864 . . . . 10.0 116.033 -172.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1896 ' ' GLY . . . . . . . . . . . . . . . -162.84 77.84 0.16 Allowed Glycine 0 CA--C 1.543 1.812 0 C-N-CA 125.644 1.593 . . . . 10.0 111.777 -176.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1897 ' ' GLY . . . . . . . . . . . . . . . -141.39 -98.78 0.34 Allowed Glycine 0 N--CA 1.475 1.253 0 C-N-CA 123.442 0.544 . . . . 10.0 112.709 179.548 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1898 ' ' LEU . . . . . . . . . . . . . 3.3 tt -67.57 122.28 17.67 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.324 1.45 . . . . 10.0 111.626 -178.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1899 ' ' SER . . . . . . . . . . . . . 19.8 t -132.25 150.84 52.07 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 126.192 1.797 . . . . 10.0 111.954 176.346 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1900 ' ' LEU . . . . . 0.401 HD11 HG21 ' A' 1922 ' ' VAL . 72.7 mt -127.44 156.79 41.54 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 114.844 1.424 . . . . 10.0 114.844 -174.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1901 ' ' ALA . . . . . . . . . . . . . . . -152.84 159.67 43.05 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 125.417 1.487 . . . . 10.0 108.871 165.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1902 ' ' ILE . . . . . . . . . . . . . 1.1 mp -127.55 144.58 37.01 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.639 0 C-N-CA 126.148 1.779 . . . . 10.0 109.134 177.375 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1903 ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -123.8 161.18 25.77 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 125.491 1.517 . . . . 10.0 111.915 168.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1904 ' ' GLY . . . . . . . . . . . . . . . 153.12 -164.25 30.84 Favored Glycine 0 CA--C 1.54 1.618 0 C-N-CA 124.836 1.208 . . . . 10.0 112.865 -169.518 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1905 ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -71.48 -16.41 30.74 Favored 'Trans proline' 0 C--N 1.363 1.311 0 C-N-CA 122.594 2.196 . . . . 10.0 111.911 171.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1906 ' ' SER . . . . . . . . . . . . . 11.3 t -154.26 153.91 32.52 Favored 'General case' 0 C--O 1.243 0.751 0 C-N-CA 128.063 2.545 . . . . 10.0 110.976 -166.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1907 ' ' LYS . . . . . . . . . . . . . 99.4 mttt -99.92 134.97 42.04 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.984 0.914 . . . . 10.0 110.867 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1908 ' ' ALA . . . . . . . . . . . . . . . -71.9 165.16 24.72 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.777 0.831 . . . . 10.0 112.802 172.526 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1909 ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -106.43 104.11 13.73 Favored 'General case' 0 CA--C 1.553 1.092 0 C-N-CA 125.438 1.495 . . . . 10.0 109.354 171.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1910 ' ' ILE . . . . . . . . . . . . . 52.4 mt -95.54 142.75 13.2 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.151 0 C-N-CA 125.322 1.449 . . . . 10.0 113.145 -167.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1911 ' ' SER . . . . . . . . . . . . . 52.1 m -143.33 171.13 14.54 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 129.453 3.101 . . . . 10.0 111.117 176.353 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1912 ' ' CYS . . . . . . . . . . . . . 25.5 p -150.7 163.53 38.33 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 125.258 1.423 . . . . 10.0 113.468 179.074 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1913 ' ' THR . . . . . . . . . . . . . 79.0 m -144.73 120.51 10.55 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.186 0.994 . . . . 10.0 110.628 -179.256 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1914 ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -72.39 94.43 1.63 Allowed 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 123.513 0.725 . . . . 10.0 110.188 168.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1915 ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -82.9 162.71 21.48 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-O 122.661 1.219 . . . . 10.0 112.219 -178.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1916 ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -61.75 -24.7 66.99 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 127.136 2.175 . . . . 10.0 114.328 -178.559 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1917 ' ' ASP . . . . . . . . . . . . . 26.9 t70 -82.24 -3.8 55.83 Favored 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 125.352 1.461 . . . . 10.0 112.56 176.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1918 ' ' GLY . . . . . . . . . . . . . . . 88.39 1.89 80.55 Favored Glycine 0 CA--C 1.538 1.498 0 C-N-CA 124.823 1.202 . . . . 10.0 114.095 179.186 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1919 ' ' THR . . . . . . . . . . . . . 18.2 p -70.2 158.26 36.14 Favored 'General case' 0 C--O 1.242 0.661 0 C-N-CA 126.014 1.725 . . . . 10.0 111.874 171.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1920 ' ' CYS . . . . . . . . . . . . . 1.7 t -102.62 9.12 39.53 Favored 'General case' 0 CA--C 1.559 1.316 0 C-N-CA 124.475 1.11 . . . . 10.0 112.883 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1921 ' ' SER . . . . . . . . . . . . . 50.1 m 12.86 79.18 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.101 1 C-N-CA 132.161 4.185 . . . . 10.0 114.928 -179.478 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1922 ' ' VAL . . . . . 0.401 HG21 HD11 ' A' 1900 ' ' LEU . 78.7 t -63.81 129.02 27.06 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 C-N-CA 123.541 0.736 . . . . 10.0 111.05 173.574 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1923 ' ' SER . . . . . . . . . . . . . 49.0 m -125.49 141.8 51.85 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 125.884 1.673 . . . . 10.0 110.176 169.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1924 ' ' TYR . . . . . . . . . . . . . 17.2 p90 -149.33 165.22 32.63 Favored 'General case' 0 C--O 1.235 0.322 0 O-C-N 121.634 -0.667 . . . . 10.0 111.985 -178.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1925 ' ' LEU . . . . . . . . . . . . . 4.2 mt -131.29 107.91 14.81 Favored Pre-proline 0 CA--C 1.547 0.843 0 O-C-N 121.511 -0.743 . . . . 10.0 110.807 -178.171 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1926 ' ' PRO . . . . . . . . . . . . . 80.2 Cg_endo -75.59 145.54 29.61 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 121.817 1.678 . . . . 10.0 109.594 168.512 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1927 ' ' VAL . . . . . . . . . . . . . 30.0 m -124.75 -6.13 6.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.925 0 C-N-CA 125.646 1.578 . . . . 10.0 114.586 -170.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1928 ' ' LEU . . . . . . . . . . . . . 5.2 tt -150.66 132.59 7.91 Favored Pre-proline 0 CA--C 1.554 1.111 0 C-N-CA 126.305 1.842 . . . . 10.0 110.472 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1929 ' ' PRO . . . . . . . . . . . . . 19.3 Cg_exo -55.03 133.81 60.2 Favored 'Trans proline' 0 C--N 1.353 0.796 0 C-N-CA 124.124 3.216 . . . . 10.0 113.558 -177.06 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1930 ' ' GLY . . . . . . . . . . . . . . . 177.43 178.73 47.28 Favored Glycine 0 CA--C 1.538 1.515 0 N-CA-C 116.75 1.46 . . . . 10.0 116.75 -178.246 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1931 ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -93.04 92.68 7.94 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 126.712 2.005 . . . . 10.0 110.134 174.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1932 ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -87.89 101.56 13.85 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.364 1.065 . . . . 10.0 110.281 -171.429 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1933 ' ' SER . . . . . . . . . . . . . 70.5 m -70.05 135.37 49.21 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 118.279 -0.867 . . . . 10.0 110.251 169.161 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1934 ' ' ILE . . . . . . . . . . . . . 7.5 mm -108.71 122.35 63.16 Favored 'Isoleucine or valine' 0 C--O 1.24 0.557 0 C-N-CA 125.475 1.51 . . . . 10.0 110.358 178.034 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1935 ' ' LEU . . . . . . . . . . . . . 2.7 mm? -113.09 79.54 1.25 Allowed 'General case' 0 C--O 1.236 0.384 0 C-N-CA 125.749 1.62 . . . . 10.0 109.001 -174.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1936 ' ' VAL . . . . . . . . . . . . . 20.6 t -81.48 125.17 39.55 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.268 0 O-C-N 121.064 -1.023 . . . . 10.0 109.016 175.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1937 ' ' LYS . . . . . . . . . . . . . 81.0 mttt -120.07 162.34 19.45 Favored 'General case' 0 C--O 1.241 0.639 0 C-N-CA 125.314 1.445 . . . . 10.0 112.017 170.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1938 ' ' TYR . . . . . . . . . . . . . 47.3 t80 -135.74 110.05 8.42 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 125.881 1.673 . . . . 10.0 110.695 170.24 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1939 ' ' ASN . . . . . . . . . . . . . 6.8 t30 65.59 -46.89 0.38 Allowed 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 129.132 2.973 . . . . 10.0 114.853 -176.16 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1940 ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -151.99 -29.93 0.16 Allowed 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 115.031 1.493 . . . . 10.0 115.031 -178.263 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1941 ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -123.58 160.27 27.41 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 125.547 1.539 . . . . 10.0 111.053 -168.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1942 ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -66.18 144.21 56.79 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-O 122.353 1.073 . . . . 10.0 111.453 179.4 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1943 ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -71.6 165.83 45.35 Favored Pre-proline 0 CA--C 1.55 0.977 0 C-N-CA 125.681 1.592 . . . . 10.0 112.332 -177.627 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1944 ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -55.62 110.43 0.55 Allowed 'Trans proline' 0 CA--C 1.538 0.708 0 C-N-CA 124.91 3.74 . . . . 10.0 111.82 -177.084 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1945 ' ' GLY . . . . . . . . . . . . . . . 91.49 -9.23 77.71 Favored Glycine 0 CA--C 1.534 1.221 0 C-N-CA 125.997 1.761 . . . . 10.0 115.695 -179.298 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1946 ' ' SER . . . . . . . . . . . . . 25.0 m -73.31 159.03 85.89 Favored Pre-proline 0 N--CA 1.482 1.148 0 CA-C-N 119.148 1.474 . . . . 10.0 112.653 173.036 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1947 ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -72.33 167.67 76.67 Favored 'Cis proline' 0 CA--C 1.552 1.391 0 CA-C-N 120.093 1.069 . . . . 10.0 113.198 -6.071 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1948 ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -121.55 165.92 14.97 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 126.971 2.108 . . . . 10.0 110.593 176.641 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1949 ' ' THR . . . . . . . . . . . . . 21.5 m -139.24 101.31 4.23 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 126.18 1.792 . . . . 10.0 111.243 176.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1950 ' ' ALA . . . . . . . . . . . . . . . -81.3 160.94 24.06 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.426 1.09 . . . . 10.0 112.669 172.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1951 ' ' ARG . . . . . . . . . . . . . 55.0 ttt180 -118.23 94.86 4.65 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 126.314 1.846 . . . . 10.0 111.118 171.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1952 ' ' VAL . . . . . . . . . . . . . 2.3 t -72.14 90.99 0.45 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.688 0 C-N-CA 126.345 1.858 . . . . 10.0 110.598 170.278 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1953 ' ' THR . . . . . . . . . . . . . 14.6 t -70.34 150.3 46.46 Favored 'General case' 0 N--CA 1.484 1.237 0 CA-C-O 120.852 0.358 . . . . 10.0 110.066 169.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1954 ' ' GLY . . . . . . . . . . . . . . . -123.48 141.36 13.61 Favored Glycine 0 CA--C 1.522 0.528 0 C-N-CA 124.999 1.285 . . . . 10.0 113.053 -170.199 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1955 ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -109.28 -4.73 16.24 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 126.588 1.955 . . . . 10.0 113.662 173.446 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1956 ' ' ASP . . . . . . . . . . . . . 38.6 t70 . . . . . 0 N--CA 1.478 0.929 0 C-N-CA 127.779 2.432 . . . . 10.0 113.278 176.836 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.603 0 N-CA-C 111.638 -0.585 . . . . 10.0 111.638 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' -3' ' ' ALA . . . . . . . . . . . . . . . -67.51 168.75 10.37 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 124.486 1.114 . . . . 10.0 112.824 177.311 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 63.5 mtt -70.33 117.39 11.82 Favored 'General case' 0 N--CA 1.471 0.602 0 O-C-N 121.05 -1.031 . . . . 10.0 111.438 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' -1' ' ' VAL . . . . . . . . . . . . . 31.1 m -66.01 163.32 2.43 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 C-N-CA 124.491 1.116 . . . . 10.0 112.594 173.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1863 ' ' VAL . . . . . . . . . . . . . 7.1 p -67.56 152.39 9.64 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.951 0 C-N-CA 124.408 1.083 . . . . 10.0 111.877 174.029 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1864 ' ' ASN . . . . . . . . . . . . . 29.7 m120 -99.45 1.53 44.2 Favored 'General case' 0 CA--C 1.555 1.139 0 C-N-CA 125.398 1.479 . . . . 10.0 114.429 -176.087 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1865 ' ' CYS . . . . . . . . . . . . . 92.0 m -61.89 92.81 0.04 OUTLIER 'General case' 0 CA--C 1.559 1.302 0 C-N-CA 126.42 1.888 . . . . 10.0 113.102 -177.478 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1866 ' ' GLY . . . . . . . . . . . . . . . -136.25 30.12 2.75 Favored Glycine 0 CA--C 1.532 1.137 0 C-N-CA 126.963 2.221 . . . . 10.0 113.86 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1867 ' ' HIS . . . . . . . . . . . . . 52.6 t-80 -134.63 170.97 15.0 Favored 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 126.308 1.843 . . . . 10.0 110.316 -172.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1868 ' ' VAL . . . . . . . . . . . . . 10.2 p -71.76 126.92 33.12 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 CA-C-O 122.473 1.13 . . . . 10.0 112.745 -175.102 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1869 ' ' THR . . . . . . . . . . . . . 40.1 p -140.41 169.86 16.88 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 127.65 2.38 . . . . 10.0 109.84 176.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1870 ' ' ALA . . . . . . . . . . . . . . . -135.44 135.87 40.89 Favored 'General case' 0 CA--C 1.559 1.29 0 C-N-CA 124.55 1.14 . . . . 10.0 110.399 175.623 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1871 ' ' TYR . . . . . . . . . . . . . 50.8 p90 -155.99 167.74 29.45 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.753 1.621 . . . . 10.0 113.385 179.444 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1872 ' ' GLY . . . . . . . . . . . . . . . 131.36 165.36 11.42 Favored Glycine 0 C--N 1.349 1.3 0 C-N-CA 125.796 1.665 . . . . 10.0 114.402 176.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1873 ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -69.85 -27.32 26.18 Favored 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 123.087 2.525 . . . . 10.0 113.875 -176.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1874 ' ' GLY . . . . . . . . . . . . . . . -68.6 -6.38 49.49 Favored Glycine 0 CA--C 1.539 1.563 0 CA-C-O 118.506 -1.163 . . . . 10.0 115.839 178.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1875 ' ' LEU . . . . . . . . . . . . . 34.1 mt -90.09 -5.24 56.75 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 119.042 1.421 . . . . 10.0 112.812 169.309 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1876 ' ' THR . . . . . . . . . . . . . 23.8 m -129.38 -42.35 1.34 Allowed 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 124.626 1.17 . . . . 10.0 112.306 -168.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1877 ' ' HIS . . . . . . . . . . . . . 69.7 t60 -133.26 166.11 23.23 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 126.656 1.983 . . . . 10.0 110.959 177.04 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1878 ' ' GLY . . . . . . . . . . . . . . . -150.04 174.05 29.58 Favored Glycine 0 N--CA 1.471 1.022 0 C-N-CA 124.25 0.929 . . . . 10.0 113.341 -177.101 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1879 ' ' VAL . . . . . . . . . . . . . 14.2 p -148.26 147.04 17.38 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 C-N-CA 127.438 2.295 . . . . 10.0 107.595 175.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1880 ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -111.34 151.5 13.44 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 CA-C-O 122.611 1.196 . . . . 10.0 114.122 -167.338 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1881 ' ' ASN . . . . . . . . . . . . . 55.1 m-80 57.99 11.65 1.53 Allowed 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 127.903 2.481 . . . . 10.0 115.181 -168.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1882 ' ' LYS . . . . . . . . . . . . . 8.0 pttt -137.39 162.11 56.97 Favored Pre-proline 0 CA--C 1.55 0.967 0 C-N-CA 126.212 1.805 . . . . 10.0 109.175 168.368 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1883 ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -69.99 153.81 67.47 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.131 1.887 . . . . 10.0 113.906 -172.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1884 ' ' ALA . . . . . . . . . . . . . . . -135.96 151.88 50.39 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 126.577 1.951 . . . . 10.0 110.44 168.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1885 ' ' THR . . . . . . . . . . . . . 27.9 p -149.6 163.02 39.02 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 121.198 -0.939 . . . . 10.0 113.17 -169.171 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1886 ' ' PHE . . . . . . . . . . . . . 48.6 p90 -146.82 176.49 9.84 Favored 'General case' 0 C--O 1.241 0.656 0 C-N-CA 124.692 1.197 . . . . 10.0 111.446 169.236 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1887 ' ' THR . . . . . . . . . . . . . 43.1 m -119.05 135.57 54.57 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 125.603 1.561 . . . . 10.0 111.155 -173.192 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1888 ' ' VAL . . . . . . . . . . . . . 1.3 m -139.45 153.71 24.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 126.205 1.802 . . . . 10.0 108.544 170.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1889 ' ' ASN . . . . . . . . . . . . . 44.4 t30 -141.35 90.03 2.27 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 114.732 -1.122 . . . . 10.0 112.957 -168.471 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1890 ' ' THR . . . . . . . . . . . . . 9.3 p -80.15 2.87 22.48 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.609 1.564 . . . . 10.0 114.968 -175.244 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1891 ' ' LYS . . . . . . . . . . . . . 24.0 mtpt -60.84 135.3 57.74 Favored 'General case' 0 N--CA 1.473 0.719 0 O-C-N 121.03 -1.044 . . . . 10.0 111.742 177.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 20.2 m-20 55.17 15.55 1.31 Allowed 'General case' 0 CA--C 1.559 1.296 0 C-N-CA 128.985 2.914 . . . . 10.0 114.507 179.074 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1893 ' ' ALA . . . . . . . . . . . . . . . -67.58 -23.51 65.4 Favored 'General case' 0 C--N 1.352 0.693 0 N-CA-C 115.208 1.559 . . . . 10.0 115.208 -178.671 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . 128.97 -173.28 19.43 Favored Glycine 0 CA--C 1.531 1.055 0 CA-C-O 123.286 1.492 . . . . 10.0 112.187 -177.014 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1895 ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -76.61 -2.85 34.68 Favored 'General case' 0 CA--C 1.558 1.258 0 C-N-CA 125.581 1.552 . . . . 10.0 113.657 178.56 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1896 ' ' GLY . . . . . . . . . . . . . . . -71.88 -176.5 26.58 Favored Glycine 0 CA--C 1.535 1.3 0 C-N-CA 127.026 2.25 . . . . 10.0 115.32 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1897 ' ' GLY . . . . . . . . . . . . . . . -140.65 116.58 1.16 Allowed Glycine 0 CA--C 1.529 0.949 0 C-N-CA 125.778 1.656 . . . . 10.0 111.318 -179.555 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1898 ' ' LEU . . . . . . . . . . . . . 7.0 tt -58.68 144.31 43.84 Favored 'General case' 0 C--O 1.24 0.589 0 C-N-CA 124.44 1.096 . . . . 10.0 111.416 176.694 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1899 ' ' SER . . . . . . . . . . . . . 35.6 t -135.83 133.59 37.97 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 125.024 1.33 . . . . 10.0 110.223 171.428 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1900 ' ' LEU . . . . . . . . . . . . . 3.2 pp -141.83 167.15 22.83 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 124.895 1.278 . . . . 10.0 114.034 170.596 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1901 ' ' ALA . . . . . . . . . . . . . . . -148.42 164.02 35.36 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.308 1.443 . . . . 10.0 111.754 170.036 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1902 ' ' ILE . . . . . . . . . . . . . 1.4 mp -114.99 144.95 21.4 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 C-N-CA 124.997 1.319 . . . . 10.0 109.241 168.668 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1903 ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -129.12 160.07 34.01 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 126.221 1.809 . . . . 10.0 110.929 173.24 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1904 ' ' GLY . . . . . . . . . . . . . . . 163.57 -173.86 39.72 Favored Glycine 0 N--CA 1.474 1.171 0 C-N-CA 124.092 0.853 . . . . 10.0 112.959 -173.491 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1905 ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -72.71 -27.23 15.27 Favored 'Trans proline' 0 N--CA 1.483 0.898 0 C-N-CA 123.06 2.507 . . . . 10.0 112.927 178.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1906 ' ' SER . . . . . . . . . . . . . 7.8 t -145.39 47.03 1.3 Allowed 'General case' 0 N--CA 1.481 1.077 0 CA-C-O 124.163 1.935 . . . . 10.0 111.799 -165.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1907 ' ' LYS . . . . . . . . . . . . . 88.5 tttt -28.84 110.7 0.05 Allowed 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 130.551 3.54 . . . . 10.0 113.886 -174.429 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1908 ' ' ALA . . . . . . . . . . . . . . . -65.94 153.12 42.94 Favored 'General case' 0 C--O 1.243 0.714 0 C-N-CA 125.826 1.65 . . . . 10.0 112.545 177.507 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1909 ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -76.01 140.64 42.07 Favored 'General case' 0 CA--C 1.552 1.047 0 O-C-N 121.75 -0.594 . . . . 10.0 112.056 172.11 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1910 ' ' ILE . . . . . . . . . . . . . 32.9 mm -85.09 132.96 30.46 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.681 0 C-N-CA 125.233 1.413 . . . . 10.0 111.068 178.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1911 ' ' SER . . . . . . . . . . . . . 8.7 t -144.53 173.44 11.8 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 126.696 1.998 . . . . 10.0 110.515 169.481 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1912 ' ' CYS . . . . . . . . . . . . . 30.1 p -150.44 175.09 12.19 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 120.004 1.275 . . . . 10.0 112.836 173.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1913 ' ' THR . . . . . . . . . . . . . 15.2 t -60.24 150.08 31.25 Favored 'General case' 0 C--O 1.247 0.972 0 O-C-N 121.76 -0.588 . . . . 10.0 111.188 171.047 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1914 ' ' ASP . . . . . . . . . . . . . 33.8 t70 -66.92 -60.03 3.0 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.355 0.662 . . . . 10.0 110.865 171.216 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1915 ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -165.03 164.8 20.44 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 127.214 2.206 . . . . 10.0 110.788 167.2 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1916 ' ' GLN . . . . . . . . . . . . . 57.7 tp60 -150.36 -56.11 0.17 Allowed 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.378 1.471 . . . . 10.0 109.589 171.49 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1917 ' ' ASP . . . . . . . . . . . . . 35.7 t70 -146.86 -20.52 0.41 Allowed 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 114.3 1.222 . . . . 10.0 114.3 -178.21 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1918 ' ' GLY . . . . . . . . . . . . . . . 136.43 8.45 1.52 Allowed Glycine 0 CA--C 1.543 1.784 0 C-N-CA 125.727 1.632 . . . . 10.0 114.544 -172.04 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1919 ' ' THR . . . . . . . . . . . . . 20.0 p -66.86 168.94 8.85 Favored 'General case' 0 C--O 1.243 0.726 0 C-N-CA 126.802 2.041 . . . . 10.0 113.109 168.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1920 ' ' CYS . . . . . . . . . . . . . 4.1 t -121.72 15.92 11.05 Favored 'General case' 0 CA--C 1.556 1.209 0 C-N-CA 125.594 1.558 . . . . 10.0 111.852 173.624 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1921 ' ' SER . . . . . . . . . . . . . 63.0 m -37.46 103.25 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 128.438 2.695 . . . . 10.0 114.912 -167.409 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1922 ' ' VAL . . . . . . . . . . . . . 53.4 t -80.93 141.02 15.78 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 C-N-CA 126.016 1.726 . . . . 10.0 111.624 -173.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1923 ' ' SER . . . . . . . . . . . . . 55.4 m -127.26 140.78 51.99 Favored 'General case' 0 C--O 1.241 0.607 0 C-N-CA 127.487 2.315 . . . . 10.0 111.704 178.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1924 ' ' TYR . . . . . . . . . . . . . 24.4 p90 -140.38 168.57 19.5 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 125.342 1.457 . . . . 10.0 111.196 177.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1925 ' ' LEU . . . . . . . . . . . . . 1.1 tt -150.88 85.39 5.17 Favored Pre-proline 0 N--CA 1.481 1.096 0 O-C-N 120.791 -1.193 . . . . 10.0 109.681 -173.637 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1926 ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -74.48 158.2 44.35 Favored 'Trans proline' 0 N--CA 1.454 -0.821 0 C-N-CA 122.472 2.114 . . . . 10.0 111.37 -173.287 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1927 ' ' VAL . . . . . . . . . . . . . 35.5 m -124.72 -11.37 5.96 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 N-CA-C 114.325 1.231 . . . . 10.0 114.325 -173.402 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1928 ' ' LEU . . . . . . . . . . . . . 4.1 tt -142.38 130.48 11.57 Favored Pre-proline 0 CA--C 1.558 1.283 0 C-N-CA 125.549 1.54 . . . . 10.0 110.233 169.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1929 ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo -54.34 162.22 4.64 Favored 'Trans proline' 0 CA--C 1.536 0.612 0 C-N-CA 124.228 3.285 . . . . 10.0 116.097 -178.527 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1930 ' ' GLY . . . . . . . . . . . . . . . 161.98 -177.04 38.36 Favored Glycine 0 C--N 1.346 1.12 0 O-C-N 120.796 -1.19 . . . . 10.0 115.194 -171.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1931 ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -100.65 96.01 7.06 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.139 1.376 . . . . 10.0 109.271 174.651 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1932 ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -89.63 99.1 12.17 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 126.659 1.984 . . . . 10.0 112.036 -172.133 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1933 ' ' SER . . . . . . . . . . . . . 67.0 m -68.62 144.08 54.61 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.006 0.522 . . . . 10.0 110.984 175.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1934 ' ' ILE . . . . . . . . . . . . . 2.4 mm -121.9 116.05 48.16 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.854 0 C-N-CA 126.838 2.055 . . . . 10.0 109.391 175.43 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1935 ' ' LEU . . . . . . . . . . . . . 2.7 mm? -109.78 79.33 1.2 Allowed 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 125.369 1.468 . . . . 10.0 111.392 -169.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1936 ' ' VAL . . . . . . . . . . . . . 4.6 t -92.71 125.13 45.33 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.294 0 C-N-CA 123.925 0.89 . . . . 10.0 111.324 -174.091 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1937 ' ' LYS . . . . . . . . . . . . . 51.5 mttp -126.31 155.82 41.39 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 125.995 1.718 . . . . 10.0 114.014 174.065 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1938 ' ' TYR . . . . . . . . . . . . . 18.8 t80 -144.35 127.93 17.07 Favored 'General case' 0 C--O 1.239 0.539 0 C-N-CA 125.22 1.408 . . . . 10.0 108.18 169.022 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1939 ' ' ASN . . . . . . . . . . . . . 48.0 t30 48.59 63.96 1.88 Allowed 'General case' 0 CA--C 1.555 1.138 0 C-N-CA 126.051 1.741 . . . . 10.0 113.102 -171.593 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1940 ' ' GLU . . . . . . . . . . . . 0.324 10.9 pt-20 52.72 9.53 0.12 Allowed 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 130.432 3.493 . . . . 10.0 117.767 179.654 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1941 ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -127.95 151.34 49.23 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 126.732 2.013 . . . . 10.0 109.98 -178.342 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1942 ' ' HIS . . . . . . . . . . . . . 73.3 m-70 -64.61 149.55 48.67 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-N 120.983 1.719 . . . . 10.0 113.123 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1943 ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -68.82 165.9 32.61 Favored Pre-proline 0 CA--C 1.542 0.663 0 C-N-CA 125.966 1.706 . . . . 10.0 112.499 174.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1944 ' ' PRO . . . . . . . . . . . . . 57.5 Cg_exo -54.15 101.0 0.07 OUTLIER 'Trans proline' 0 CA--C 1.55 1.298 1 C-N-CA 126.079 4.519 . . . . 10.0 113.007 -177.097 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1945 ' ' GLY . . . . . . . . . . . . . . . 95.66 -6.05 67.36 Favored Glycine 0 CA--C 1.535 1.308 0 C-N-CA 125.991 1.758 . . . . 10.0 116.086 179.074 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1946 ' ' SER . . . . . . . . . . . . . 48.7 m -75.34 159.77 81.36 Favored Pre-proline 0 CA--C 1.553 1.064 0 C-N-CA 124.669 1.187 . . . . 10.0 113.09 175.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1947 ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -70.63 164.87 80.62 Favored 'Cis proline' 0 N--CA 1.492 1.4 0 CA-C-N 119.978 1.028 . . . . 10.0 112.475 -3.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1948 ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -119.5 165.63 14.15 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 126.186 1.794 . . . . 10.0 111.601 176.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1949 ' ' THR . . . . . . . . . . . . . 52.3 m -145.16 107.91 4.47 Favored 'General case' 0 N--CA 1.483 1.207 0 O-C-N 120.75 -1.219 . . . . 10.0 109.662 171.609 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1950 ' ' ALA . . . . . . . . . . . . . . . -78.04 160.78 27.91 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 123.829 0.852 . . . . 10.0 112.095 171.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1951 ' ' ARG . . . . . . . . . . . . . 53.4 ttt85 -127.89 95.99 4.37 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 113.649 0.981 . . . . 10.0 113.649 173.268 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1952 ' ' VAL . . . . . . . . . . . . . 26.0 t -57.57 134.89 22.01 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 129.048 2.939 . . . . 10.0 112.581 171.485 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1953 ' ' THR . . . . . . . . . . . . . 6.7 t -109.04 158.94 17.26 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.832 1.253 . . . . 10.0 112.02 171.247 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1954 ' ' GLY . . . . . . . . . . . . . . . -88.0 166.7 35.62 Favored Glycine 0 CA--C 1.542 1.77 0 N-CA-C 116.851 1.5 . . . . 10.0 116.851 -169.584 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1955 ' ' ASP . . . . . . . . . . . . . 25.7 t70 -75.24 -38.92 60.38 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.891 1.276 . . . . 10.0 111.72 172.537 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1956 ' ' ASP . . . . . . . . . . . . . 35.0 t70 . . . . . 0 C--O 1.249 1.053 0 C-N-CA 125.843 1.657 . . . . 10.0 112.63 175.04 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.727 0 N-CA-C 112.136 -0.385 . . . . 10.0 112.136 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' -3' ' ' ALA . . . . . . . . . . . . . . . -135.74 137.15 41.4 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 125.796 1.638 . . . . 10.0 111.724 178.236 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 2.7 mmt -116.77 12.6 14.89 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 126.858 2.063 . . . . 10.0 112.712 -178.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -1' ' ' VAL . . . . . . . . . . . . . 35.7 m -64.21 -6.72 2.9 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 126.596 1.958 . . . . 10.0 115.466 -173.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1863 ' ' VAL . . . . . . . . . . . . . 33.3 m -55.25 -12.77 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 C-N-CA 127.896 2.479 . . . . 10.0 116.206 -173.675 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1864 ' ' ASN . . . . . . . . . . . . . 8.1 p30 -123.51 -79.34 0.61 Allowed 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.676 1.19 . . . . 10.0 112.343 172.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1865 ' ' CYS . . . . . . . . . . . . . 28.1 p -71.27 -13.45 61.9 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 115.942 1.83 . . . . 10.0 115.942 -172.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1866 ' ' GLY . . . . . . . . . . . . . . . -96.09 13.04 66.5 Favored Glycine 0 CA--C 1.532 1.141 0 C-N-CA 125.735 1.636 . . . . 10.0 115.119 -173.162 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1867 ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -70.08 -32.85 71.13 Favored 'General case' 0 CA--C 1.549 0.933 0 CA-C-N 119.156 1.478 . . . . 10.0 112.872 -177.548 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1868 ' ' VAL . . . . . . . . . . . . . 6.3 p -72.67 133.08 32.46 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 C-N-CA 123.515 0.726 . . . . 10.0 109.696 166.352 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1869 ' ' THR . . . . . . . . . . . . . 64.9 p -142.59 159.26 42.59 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.651 0.781 . . . . 10.0 109.954 179.558 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1870 ' ' ALA . . . . . . . . . . . . . . . -120.76 138.17 54.14 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 124.068 0.947 . . . . 10.0 110.763 176.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1871 ' ' TYR . . . . . . . . . . . . . 49.6 p90 -154.43 153.18 31.12 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.884 1.274 . . . . 10.0 112.314 -175.624 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1872 ' ' GLY . . . . . . . . . . . . . . . 139.6 167.23 10.91 Favored Glycine 0 N--CA 1.478 1.476 0 C-N-CA 126.283 1.896 . . . . 10.0 112.57 -179.04 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1873 ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -66.15 -25.97 50.25 Favored 'Trans proline' 0 N--CA 1.478 0.57 0 C-N-CA 122.966 2.444 . . . . 10.0 111.622 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1874 ' ' GLY . . . . . . . . . . . . . . . -64.44 -7.36 26.21 Favored Glycine 0 CA--C 1.532 1.154 0 N-CA-C 116.582 1.393 . . . . 10.0 116.582 178.26 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1875 ' ' LEU . . . . . . . . . . . . . 72.1 mt -92.91 -11.55 33.16 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 119.082 1.441 . . . . 10.0 113.491 173.604 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1876 ' ' THR . . . . . . . . . . . . . 75.1 p -126.98 -28.81 2.86 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 114.529 1.307 . . . . 10.0 114.529 -176.357 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1877 ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -138.58 174.25 10.73 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 126.601 1.96 . . . . 10.0 110.679 178.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1878 ' ' GLY . . . . . . . . . . . . . . . -160.99 176.43 37.58 Favored Glycine 0 CA--C 1.54 1.649 0 O-C-N 121.161 -0.962 . . . . 10.0 113.535 176.05 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1879 ' ' VAL . . . . . . . . . . . . . 7.2 p -138.24 144.3 30.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 124.853 1.261 . . . . 10.0 110.994 174.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1880 ' ' VAL . . . . . . . . . . . . . 82.7 t -92.59 143.14 12.01 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 C-N-CA 127.005 2.122 . . . . 10.0 112.028 -169.1 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1881 ' ' ASN . . . . . . . . . . . . . 72.8 m-20 57.49 10.81 1.05 Allowed 'General case' 0 CA--C 1.554 1.112 0 C-N-CA 128.909 2.884 . . . . 10.0 116.662 179.192 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1882 ' ' LYS . . . . . 0.414 ' HA ' ' HD3' ' A' 1883 ' ' PRO . 0.5 OUTLIER -137.11 141.58 34.98 Favored Pre-proline 0 N--CA 1.478 0.936 0 O-C-N 120.121 -1.612 . . . . 10.0 108.785 167.61 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A 1883 ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' 1882 ' ' LYS . 64.5 Cg_exo -52.77 140.98 55.97 Favored 'Trans proline' 0 C--O 1.245 0.85 0 C-N-CA 124.358 3.372 . . . . 10.0 115.002 -173.398 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1884 ' ' ALA . . . . . . . . . . . . . . . -121.66 157.59 30.53 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 126.724 2.01 . . . . 10.0 110.875 173.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1885 ' ' THR . . . . . . . . . . . . . 57.6 p -148.43 161.91 40.65 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 115.947 1.832 . . . . 10.0 115.947 -170.119 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1886 ' ' PHE . . . . . . . . . . . . . 54.7 p90 -157.16 165.22 36.6 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 127.273 2.229 . . . . 10.0 112.158 166.661 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1887 ' ' THR . . . . . . . . . . . . . 22.5 m -106.71 151.2 25.43 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 126.222 1.809 . . . . 10.0 111.469 -175.656 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1888 ' ' VAL . . . . . . . . . . . . . 2.2 m -146.92 49.65 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 C-N-CA 126.877 2.071 . . . . 10.0 110.924 -167.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1889 ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -50.77 120.16 4.52 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 126.836 2.055 . . . . 10.0 114.375 -172.704 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1890 ' ' THR . . . . . . . . . . . . . 62.2 p -100.56 13.16 35.59 Favored 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 127.965 2.506 . . . . 10.0 113.829 -172.497 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1891 ' ' LYS . . . . . . . . . . . . . 99.4 mttt -62.68 120.57 11.46 Favored 'General case' 0 C--O 1.239 0.525 0 C-N-CA 125.522 1.529 . . . . 10.0 110.462 -176.176 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 19.6 t70 53.5 26.08 5.27 Favored 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 128.359 2.664 . . . . 10.0 114.329 -176.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1893 ' ' ALA . . . . . . . . . . . . . . . -62.45 -44.7 95.77 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 126.274 1.83 . . . . 10.0 115.259 -175.158 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . 149.27 -157.78 27.39 Favored Glycine 0 CA--C 1.542 1.76 0 C-N-CA 123.402 0.525 . . . . 10.0 113.894 -169.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1895 ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -71.82 -1.61 14.74 Favored 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 126.439 1.896 . . . . 10.0 114.878 -174.027 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1896 ' ' GLY . . . . . . . . . . . . . . . 98.98 -179.05 31.11 Favored Glycine 0 CA--C 1.542 1.754 0 C-N-CA 125.818 1.675 . . . . 10.0 114.12 -174.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1897 ' ' GLY . . . . . . . . . . . . . . . 101.03 39.65 3.04 Favored Glycine 0 N--CA 1.478 1.445 0 O-C-N 120.773 -1.427 . . . . 10.0 115.501 173.484 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1898 ' ' LEU . . . . . . . . . . . . . 6.5 tt -69.67 123.96 22.73 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.218 1.407 . . . . 10.0 110.613 169.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1899 ' ' SER . . . . . . . . . . . . . 69.3 m -135.76 128.55 31.06 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 126.356 1.862 . . . . 10.0 110.796 178.65 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1900 ' ' LEU . . . . . . . . . . . . . 3.4 pp -145.35 167.37 23.06 Favored 'General case' 0 C--O 1.237 0.446 0 N-CA-C 113.973 1.101 . . . . 10.0 113.973 172.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1901 ' ' ALA . . . . . . . . . . . . . . . -147.88 161.72 40.73 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 114.809 -1.087 . . . . 10.0 110.369 168.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1902 ' ' ILE . . . . . . . . . . . . . 2.1 mp -109.37 124.44 66.06 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 N-CA-C 107.252 -1.388 . . . . 10.0 107.252 168.426 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1903 ' ' GLU . . . . . . . . . . . . . 39.3 mm-40 -104.88 165.25 11.2 Favored 'General case' 0 C--O 1.218 -0.585 0 C-N-CA 127.076 2.151 . . . . 10.0 110.259 168.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1904 ' ' GLY . . . . . . . . . . . . . . . 171.71 -172.18 44.49 Favored Glycine 0 CA--C 1.533 1.191 0 C-N-CA 123.565 0.602 . . . . 10.0 112.705 -179.274 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1905 ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -72.19 -23.24 21.39 Favored 'Trans proline' 0 C--N 1.358 1.036 0 C-N-CA 123.245 2.63 . . . . 10.0 113.081 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1906 ' ' SER . . . . . . . . . . . . . 11.7 t -142.04 13.51 2.05 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 126.125 1.77 . . . . 10.0 114.755 -166.07 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1907 ' ' LYS . . . . . . . . . . . . . 55.4 tptt 45.47 98.91 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.562 0 C-N-CA 128.97 2.908 . . . . 10.0 116.248 168.544 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1908 ' ' ALA . . . . . . . . . . . . . . . -65.44 153.3 41.72 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.955 0.902 . . . . 10.0 112.881 173.514 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1909 ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -88.6 118.65 28.41 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 124.542 1.137 . . . . 10.0 111.515 175.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1910 ' ' ILE . . . . . . . . . . . . . 22.2 mm -83.64 131.89 32.77 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.3 0 C-N-CA 125.308 1.443 . . . . 10.0 111.242 -173.106 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1911 ' ' SER . . . . . . . . . . . . . 57.7 m -140.8 162.53 35.22 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 126.375 1.87 . . . . 10.0 109.416 170.059 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1912 ' ' CYS . . . . . . . . . . . . . 28.9 p -151.71 168.44 25.03 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.373 1.069 . . . . 10.0 112.234 176.484 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1913 ' ' THR . . . . . . . . . . . . . 9.5 m -106.51 149.33 27.22 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.958 1.303 . . . . 10.0 111.859 -177.175 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1914 ' ' ASP . . . . . . . . . . . . . 36.6 p-10 -109.6 7.79 24.71 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 126.017 1.727 . . . . 10.0 115.612 -168.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1915 ' ' ASN . . . . . . . . . . . . . 31.9 m120 -63.82 119.99 11.05 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.84 1.256 . . . . 10.0 112.176 172.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1916 ' ' GLN . . . . . . . . . . . . . 55.3 mt-30 -74.13 56.91 0.63 Allowed 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 126.612 1.965 . . . . 10.0 112.924 179.129 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1917 ' ' ASP . . . . . . . . . . . . . 29.6 t70 -111.63 4.65 18.79 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 126.265 1.826 . . . . 10.0 114.287 -175.501 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1918 ' ' GLY . . . . . . . . . . . . . . . 94.2 34.1 6.59 Favored Glycine 0 CA--C 1.542 1.722 0 C-N-CA 124.623 1.106 . . . . 10.0 115.062 179.348 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1919 ' ' THR . . . . . . . . . . . . . 15.3 t -151.56 171.93 16.82 Favored 'General case' 0 N--CA 1.483 1.212 0 CA-C-O 122.02 0.914 . . . . 10.0 112.85 172.298 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1920 ' ' CYS . . . . . . . . . . . . . 3.4 t -122.31 29.37 7.01 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 128.038 2.535 . . . . 10.0 111.985 -179.121 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1921 ' ' SER . . . . . . . . . . . . . 68.3 m -33.02 119.99 0.34 Allowed 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 129.759 3.224 . . . . 10.0 114.313 -166.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1922 ' ' VAL . . . . . . . . . . . . . 52.6 t -105.21 132.06 52.95 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 C-N-CA 126.011 1.725 . . . . 10.0 110.804 -169.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1923 ' ' SER . . . . . . . . . . . . . 52.1 m -122.24 121.7 37.41 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 127.072 2.149 . . . . 10.0 110.085 173.681 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1924 ' ' TYR . . . . . . . . . . . . . 25.2 p90 -121.78 164.9 16.68 Favored 'General case' 0 C--O 1.232 0.172 0 C-N-CA 124.34 1.056 . . . . 10.0 111.314 177.277 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1925 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -146.04 89.77 5.96 Favored Pre-proline 0 CA--C 1.546 0.802 0 O-C-N 121.098 -1.001 . . . . 10.0 111.525 -174.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1926 ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -76.87 131.13 11.94 Favored 'Trans proline' 0 CA--C 1.538 0.681 0 C-N-CA 123.652 2.901 . . . . 10.0 111.503 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1927 ' ' VAL . . . . . . . . . . . . . 34.5 m -85.97 -18.86 8.66 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 N-CA-C 114.209 1.189 . . . . 10.0 114.209 -178.633 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1928 ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -138.58 161.42 58.8 Favored Pre-proline 0 N--CA 1.474 0.763 0 C-N-CA 125.801 1.64 . . . . 10.0 111.978 170.406 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1929 ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -70.26 163.01 40.22 Favored 'Trans proline' 0 CA--C 1.537 0.663 0 C-N-CA 124.705 3.603 . . . . 10.0 112.443 177.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1930 ' ' GLY . . . . . . . . . . . . . . . 160.09 179.67 35.04 Favored Glycine 0 N--CA 1.47 0.914 0 CA-C-O 122.009 0.783 . . . . 10.0 114.76 177.269 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1931 ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -92.53 86.72 5.7 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 124.85 1.26 . . . . 10.0 110.244 170.262 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1932 ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -78.95 154.6 29.48 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 124.425 1.09 . . . . 10.0 109.994 178.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1933 ' ' SER . . . . . . . . . . . . . 27.1 t -129.11 122.28 29.57 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 124.937 1.295 . . . . 10.0 110.178 -173.253 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1934 ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -94.03 113.7 29.21 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.501 0 C-N-CA 126.6 1.96 . . . . 10.0 108.822 -178.686 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1935 ' ' LEU . . . . . 0.41 HD13 ' HB3' ' A' 1947 ' ' PRO . 2.8 mm? -99.1 89.88 4.41 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 125.455 1.502 . . . . 10.0 110.664 177.802 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1936 ' ' VAL . . . . . . . . . . . . . 4.1 t -90.63 133.26 32.97 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.439 0 O-C-N 119.771 -1.83 . . . . 10.0 110.813 179.561 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1937 ' ' LYS . . . . . . . . . . . . . 63.0 mttm -130.02 151.71 50.27 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 127.888 2.475 . . . . 10.0 111.646 171.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1938 ' ' TYR . . . . . . . . . . . . . 36.8 t80 -139.88 109.39 6.23 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.502 1.521 . . . . 10.0 109.269 169.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1939 ' ' ASN . . . . . . . . . . . . . 8.5 t-20 52.49 73.99 0.31 Allowed 'General case' 0 CA--C 1.556 1.183 0 C-N-CA 125.365 1.466 . . . . 10.0 112.648 -169.255 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1940 ' ' GLU . . . . . . . . . . . . . 3.7 tp10 73.29 -26.27 0.19 Allowed 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 128.8 2.84 . . . . 10.0 115.096 172.167 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1941 ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -116.88 151.14 37.22 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 125.302 1.441 . . . . 10.0 111.793 -170.59 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1942 ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -67.27 153.7 43.06 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-O 122.7 1.238 . . . . 10.0 112.771 -172.117 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1943 ' ' VAL . . . . . 0.494 HG13 ' HD2' ' A' 1944 ' ' PRO . 0.6 OUTLIER -71.96 165.81 46.53 Favored Pre-proline 0 CA--C 1.543 0.678 0 C-N-CA 125.749 1.62 . . . . 10.0 112.259 175.005 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A 1944 ' ' PRO . . . . . 0.494 ' HD2' HG13 ' A' 1943 ' ' VAL . 51.4 Cg_exo -58.57 111.49 0.89 Allowed 'Trans proline' 0 CA--C 1.548 1.217 0 C-N-CA 124.833 3.688 . . . . 10.0 112.534 -175.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1945 ' ' GLY . . . . . . . . . . . . . . . 85.75 -5.72 82.86 Favored Glycine 0 CA--C 1.533 1.204 0 C-N-CA 124.832 1.206 . . . . 10.0 116.076 179.691 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1946 ' ' SER . . . . . 0.436 ' OG ' HG12 ' A' 1943 ' ' VAL . 46.6 m -68.77 158.72 85.05 Favored Pre-proline 0 N--CA 1.478 0.969 0 CA-C-N 119.098 1.449 . . . . 10.0 113.211 176.415 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1947 ' ' PRO . . . . . 0.41 ' HB3' HD13 ' A' 1935 ' ' LEU . 74.3 Cg_endo -75.68 170.42 71.87 Favored 'Cis proline' 0 CA--C 1.54 0.795 0 CA-C-N 119.465 0.845 . . . . 10.0 113.954 -2.82 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1948 ' ' PHE . . . . . . . . . . . . . 33.8 m-85 -119.0 164.22 15.8 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 124.471 1.108 . . . . 10.0 111.179 177.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1949 ' ' THR . . . . . . . . . . . . . 62.9 m -134.56 107.09 7.33 Favored 'General case' 0 N--CA 1.488 1.441 0 C-N-CA 125.751 1.62 . . . . 10.0 110.263 -176.6 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1950 ' ' ALA . . . . . . . . . . . . . . . -99.81 117.75 34.79 Favored 'General case' 0 C--O 1.24 0.583 0 C-N-CA 127.301 2.24 . . . . 10.0 113.307 -178.432 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1951 ' ' ARG . . . . . . . . . . . . . 31.2 ttm180 -85.79 87.6 7.43 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-O 123.073 1.416 . . . . 10.0 114.1 175.666 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1952 ' ' VAL . . . . . . . . . . . . . 25.7 t -57.79 111.15 0.44 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.586 0 C-N-CA 129.042 2.937 . . . . 10.0 111.375 168.34 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1953 ' ' THR . . . . . . . . . . . . . 91.4 m -96.87 138.61 34.16 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 125.944 1.698 . . . . 10.0 111.136 -179.32 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1954 ' ' GLY . . . . . . . . . . . . . . . -78.88 172.36 55.26 Favored Glycine 0 CA--C 1.543 1.797 0 C-N-CA 125.219 1.39 . . . . 10.0 115.531 -169.437 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1955 ' ' ASP . . . . . . . . . . . . . 33.8 t70 -135.95 -40.51 0.68 Allowed 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 125.494 1.518 . . . . 10.0 114.561 -171.622 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1956 ' ' ASP . . . . . . . . . . . . . 22.2 t70 . . . . . 0 N--CA 1.477 0.891 0 C-N-CA 126.968 2.107 . . . . 10.0 112.595 179.147 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.279 0 N-CA-C 111.383 -0.687 . . . . 10.0 111.383 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' -3' ' ' ALA . . . . . . . . . . . . . . . -73.5 174.4 8.27 Favored 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 124.928 1.291 . . . . 10.0 113.259 176.378 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 1.8 mpt? 57.55 23.13 8.88 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 126.003 1.721 . . . . 10.0 114.887 178.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -1' ' ' VAL . . . . . . . . . . . . . 8.8 p -58.04 -27.39 31.42 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 125.643 1.577 . . . . 10.0 113.322 177.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1863 ' ' VAL . . . . . . . . . . . . . 35.6 m -75.69 -14.23 15.23 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 125.671 1.588 . . . . 10.0 114.872 179.336 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1864 ' ' ASN . . . . . . . . . . . . . 16.9 m120 -81.63 73.78 8.65 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 125.096 1.359 . . . . 10.0 113.268 -172.064 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1865 ' ' CYS . . . . . . . . . . . . . 76.1 m -69.28 -22.9 63.78 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 125.457 1.503 . . . . 10.0 114.644 175.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1866 ' ' GLY . . . . . . . . . . . . . . . 76.97 -78.02 1.44 Allowed Glycine 0 CA--C 1.538 1.492 0 C-N-CA 125.288 1.423 . . . . 10.0 114.69 174.149 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1867 ' ' HIS . . . . . . . . . . . . . 58.4 t60 -66.13 155.25 37.43 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.379 1.071 . . . . 10.0 113.075 -178.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1868 ' ' VAL . . . . . 0.421 ' HB ' ' HB2' ' A' 1893 ' ' ALA . 14.7 p -67.19 138.74 22.23 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 N-CA-C 114.094 1.146 . . . . 10.0 114.094 -173.765 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1869 ' ' THR . . . . . . . . . . . . . 40.7 p -141.33 167.64 21.7 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 127.345 2.258 . . . . 10.0 109.975 169.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1870 ' ' ALA . . . . . . . . . . . . . . . -125.97 137.52 53.69 Favored 'General case' 0 C--O 1.24 0.563 0 C-N-CA 126.191 1.796 . . . . 10.0 110.7 169.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1871 ' ' TYR . . . . . . . . . . . . . 28.8 p90 -155.19 151.56 28.32 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.076 1.35 . . . . 10.0 112.084 -176.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1872 ' ' GLY . . . . . . . . . . . . . . . 143.42 175.33 16.43 Favored Glycine 0 CA--C 1.528 0.879 0 O-C-N 121.278 -0.889 . . . . 10.0 114.316 179.247 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1873 ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -67.0 -33.62 31.7 Favored 'Trans proline' 0 C--N 1.355 0.887 0 C-N-CA 123.245 2.63 . . . . 10.0 112.441 -179.168 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1874 ' ' GLY . . . . . . . . . . . . . . . -74.06 5.98 23.17 Favored Glycine 0 N--CA 1.476 1.318 0 C-N-CA 126.698 2.094 . . . . 10.0 115.125 -177.114 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1875 ' ' LEU . . . . . . . . . . . . . 51.1 mt -105.76 -11.86 16.11 Favored 'General case' 0 CA--C 1.549 0.913 0 CA-C-N 119.319 1.559 . . . . 10.0 113.119 169.207 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1876 ' ' THR . . . . . . . . . . . . . 36.6 p -122.65 -33.13 3.46 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 126.208 1.803 . . . . 10.0 111.627 -174.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1877 ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -132.18 174.06 10.6 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 128.6 2.76 . . . . 10.0 110.985 173.446 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1878 ' ' GLY . . . . . . . . . . . . . . . -151.86 -178.77 26.91 Favored Glycine 0 CA--C 1.53 0.978 0 C-N-CA 125.455 1.502 . . . . 10.0 112.147 172.449 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1879 ' ' VAL . . . . . . . . . . . . . 12.9 p -147.64 144.41 19.4 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 C-N-CA 125.931 1.692 . . . . 10.0 107.81 173.045 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1880 ' ' VAL . . . . . . . . . . . . 0.259 0.3 OUTLIER -100.27 142.11 16.07 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 N-CA-C 113.621 0.971 . . . . 10.0 113.621 -168.074 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A 1881 ' ' ASN . . . . . . . . . . . . 0.264 67.2 m-80 61.19 11.84 3.76 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 126.584 1.954 . . . . 10.0 115.716 -174.286 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1882 ' ' LYS . . . . . 0.411 ' HA ' ' HD3' ' A' 1883 ' ' PRO . 5.8 tptp -126.66 132.35 24.28 Favored Pre-proline 0 N--CA 1.485 1.303 0 C-N-CA 127.842 2.457 . . . . 10.0 108.067 168.497 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1883 ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' 1882 ' ' LYS . 53.1 Cg_exo -57.57 131.95 47.47 Favored 'Trans proline' 0 C--N 1.352 0.711 0 C-N-CA 122.729 2.286 . . . . 10.0 110.466 -176.81 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1884 ' ' ALA . . . . . . . . . . . . . . . -106.65 154.15 21.35 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 126.734 2.014 . . . . 10.0 109.686 177.169 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1885 ' ' THR . . . . . . . . . . . . . 66.9 p -149.77 163.1 38.89 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 113.599 0.963 . . . . 10.0 113.599 -171.365 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1886 ' ' PHE . . . . . . . . . . . . . 54.7 p90 -151.07 165.32 34.17 Favored 'General case' 0 C--O 1.239 0.552 0 C-N-CA 126.065 1.746 . . . . 10.0 111.061 168.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1887 ' ' THR . . . . . . . . . . . . . 89.5 m -98.42 142.04 30.54 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.732 1.213 . . . . 10.0 110.425 -179.135 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1888 ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -128.08 148.88 32.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 C-N-CA 126.904 2.082 . . . . 10.0 108.273 168.592 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1889 ' ' ASN . . . . . . . . . . . . . 51.3 t30 -132.87 77.0 1.72 Allowed 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 125.522 1.529 . . . . 10.0 112.623 -167.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1890 ' ' THR . . . . . . . . . . . . . 28.6 p -81.2 4.78 19.07 Favored 'General case' 0 N--CA 1.491 1.602 0 N-CA-C 115.712 1.745 . . . . 10.0 115.712 -171.663 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1891 ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -46.9 -44.58 19.87 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 117.647 2.462 . . . . 10.0 117.647 -166.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 25.0 t0 -130.58 29.09 4.85 Favored 'General case' 0 CA--C 1.55 0.977 0 CA-C-O 122.568 1.175 . . . . 10.0 112.781 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1893 ' ' ALA . . . . . 0.421 ' HB2' ' HB ' ' A' 1868 ' ' VAL . . . -74.38 -41.32 61.17 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 126.519 1.928 . . . . 10.0 114.858 -170.501 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . 140.22 -156.1 24.9 Favored Glycine 0 N--CA 1.473 1.113 0 C-N-CA 125.435 1.493 . . . . 10.0 112.541 -170.424 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1895 ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -65.53 147.87 52.69 Favored 'General case' 0 CA--C 1.547 0.849 0 O-C-N 121.77 -0.841 . . . . 10.0 110.699 170.054 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1896 ' ' GLY . . . . . . . . . . . . . . . -75.04 65.12 2.3 Favored Glycine 0 CA--C 1.529 0.921 0 C-N-CA 125.466 1.507 . . . . 10.0 114.824 -171.271 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1897 ' ' GLY . . . . . . . . . . . . . . . -96.3 29.28 10.42 Favored Glycine 0 CA--C 1.53 0.975 0 C-N-CA 127.252 2.358 . . . . 10.0 114.113 178.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1898 ' ' LEU . . . . . . . . . . . . . 5.7 tt -64.57 122.9 17.9 Favored 'General case' 0 C--O 1.243 0.76 0 CA-C-N 119.44 1.62 . . . . 10.0 111.226 172.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1899 ' ' SER . . . . . . . . . . . . . 32.7 t -142.21 140.53 32.36 Favored 'General case' 0 C--O 1.24 0.562 0 C-N-CA 123.655 0.782 . . . . 10.0 111.061 169.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1900 ' ' LEU . . . . . . . . . . . . . 25.0 mt -113.7 154.32 27.49 Favored 'General case' 0 C--O 1.243 0.729 0 CA-C-O 122.794 1.283 . . . . 10.0 114.363 -178.355 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1901 ' ' ALA . . . . . . . . . . . . . . . -143.87 162.3 36.45 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 125.534 1.534 . . . . 10.0 109.102 165.404 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1902 ' ' ILE . . . . . . . . . . . . . 1.4 tt -145.32 154.91 13.62 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 C-N-CA 124.855 1.262 . . . . 10.0 109.685 -179.618 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1903 ' ' GLU . . . . . . . . . . . . . 83.0 mt-10 -126.22 -177.3 3.92 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.34 1.456 . . . . 10.0 109.401 174.257 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1904 ' ' GLY . . . . . . . . . . . . . . . 132.25 -175.27 19.94 Favored Glycine 0 CA--C 1.547 2.062 0 C-N-CA 124.199 0.904 . . . . 10.0 112.449 -177.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1905 ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -70.21 -26.48 25.43 Favored 'Trans proline' 0 CA--C 1.537 0.636 0 C-N-CA 122.001 1.801 . . . . 10.0 114.759 177.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1906 ' ' SER . . . . . . . . . . . . . 6.8 t -153.12 60.43 0.78 Allowed 'General case' 0 CA--C 1.549 0.938 0 CA-C-O 123.573 1.654 . . . . 10.0 111.901 -164.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1907 ' ' LYS . . . . . . . . . . . . . 63.4 mtpt -32.75 121.87 0.35 Allowed 'General case' 0 N--CA 1.494 1.731 0 C-N-CA 130.148 3.379 . . . . 10.0 113.121 -174.355 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1908 ' ' ALA . . . . . . . . . . . . . . . -74.02 168.05 20.29 Favored 'General case' 0 C--N 1.348 0.522 0 N-CA-C 113.63 0.974 . . . . 10.0 113.63 -178.421 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1909 ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -106.6 113.25 26.65 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.023 0.929 . . . . 10.0 110.799 171.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1910 ' ' ILE . . . . . . . . . . . . . 1.7 mp -70.97 150.69 9.37 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.187 0 C-N-CA 127.097 2.159 . . . . 10.0 113.023 -174.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1911 ' ' SER . . . . . . . . . . . . . 7.6 t -146.05 173.71 11.94 Favored 'General case' 0 CA--C 1.564 1.509 0 C-N-CA 128.184 2.594 . . . . 10.0 110.377 167.503 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1912 ' ' CYS . . . . . . . . . . . . . 29.4 p -150.79 163.2 39.19 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 120.2 -1.562 . . . . 10.0 114.06 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1913 ' ' THR . . . . . . . . . . . . . 97.4 m -140.03 120.87 14.47 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.887 1.275 . . . . 10.0 109.101 -177.486 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1914 ' ' ASP . . . . . . . . . . . . . 3.4 p30 -69.12 -10.35 57.24 Favored 'General case' 0 N--CA 1.484 1.257 0 N-CA-C 115.478 1.659 . . . . 10.0 115.478 179.442 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1915 ' ' ASN . . . . . . . . . . . . . 39.0 t30 58.59 1.98 0.2 Allowed 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 128.854 2.862 . . . . 10.0 116.574 174.456 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1916 ' ' GLN . . . . . . . . . . . . . 58.6 mt-30 59.31 3.81 0.42 Allowed 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 126.787 2.035 . . . . 10.0 115.907 -168.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1917 ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -115.76 1.37 13.44 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-N 120.205 1.366 . . . . 10.0 114.178 178.772 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1918 ' ' GLY . . . . . . . . . . . . . . . 97.83 -3.92 60.99 Favored Glycine 0 CA--C 1.53 1.017 0 C-N-CA 125.19 1.376 . . . . 10.0 115.566 175.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1919 ' ' THR . . . . . . . . . . . . . 71.6 p -71.95 173.18 8.71 Favored 'General case' 0 N--CA 1.481 1.09 0 CA-C-N 119.262 1.531 . . . . 10.0 111.663 169.317 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1920 ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -123.76 17.36 9.47 Favored 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 114.696 1.369 . . . . 10.0 114.696 -176.285 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1921 ' ' SER . . . . . . . . . . . . . 44.2 m -12.81 99.95 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 130.539 3.535 . . . . 10.0 115.65 -176.318 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1922 ' ' VAL . . . . . . . . . . . . . 55.1 t -83.05 140.77 15.82 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 C-N-CA 125.912 1.685 . . . . 10.0 110.977 -173.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1923 ' ' SER . . . . . . . . . . . . . 33.1 m -126.24 152.65 45.81 Favored 'General case' 0 C--O 1.225 -0.197 0 C-N-CA 125.825 1.65 . . . . 10.0 111.599 172.514 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1924 ' ' TYR . . . . . . . . . . . . . 26.5 p90 -151.69 169.56 21.87 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 126.133 1.773 . . . . 10.0 111.42 171.042 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1925 ' ' LEU . . . . . . . . . . . . . 1.5 tm? -143.82 95.79 5.69 Favored Pre-proline 0 N--CA 1.474 0.769 0 C-N-CA 124.285 1.034 . . . . 10.0 111.59 -176.461 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1926 ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -80.64 149.85 18.7 Favored 'Trans proline' 0 CA--C 1.544 0.991 0 C-N-CA 122.932 2.421 . . . . 10.0 110.814 174.444 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1927 ' ' VAL . . . . . . . . . . . . . 34.4 m -118.48 -6.07 11.36 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 N-CA-C 114.96 1.467 . . . . 10.0 114.96 -175.684 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1928 ' ' LEU . . . . . . . . . . . . . 4.5 tt -143.66 128.16 9.47 Favored Pre-proline 0 CA--C 1.555 1.155 0 C-N-CA 125.268 1.427 . . . . 10.0 110.866 173.264 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1929 ' ' PRO . . . . . . . . . . . . . 89.2 Cg_exo -50.51 146.88 18.38 Favored 'Trans proline' 0 CA--C 1.55 1.287 0 C-N-CA 123.599 2.866 . . . . 10.0 115.764 -179.53 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1930 ' ' GLY . . . . . . . . . . . . . . . 172.0 -179.9 43.36 Favored Glycine 0 CA--C 1.528 0.906 0 CA-C-O 122.743 1.191 . . . . 10.0 115.143 -170.174 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1931 ' ' ASP . . . . . . . . . . . . . 16.2 p-10 -107.31 84.86 2.03 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 127.211 2.204 . . . . 10.0 110.659 -178.071 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1932 ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -85.78 100.31 11.95 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.409 1.083 . . . . 10.0 113.004 -169.324 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1933 ' ' SER . . . . . . . . . . . . . 20.6 t -66.48 129.77 40.94 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 120.909 -1.119 . . . . 10.0 110.539 176.077 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1934 ' ' ILE . . . . . . . . . . . . . 8.2 mm -101.95 129.95 52.45 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 125.022 1.329 . . . . 10.0 109.854 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1935 ' ' LEU . . . . . . . . . . . . . 3.0 mm? -118.98 91.4 3.55 Favored 'General case' 0 C--O 1.237 0.442 0 C-N-CA 126.21 1.804 . . . . 10.0 110.692 177.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1936 ' ' VAL . . . . . . . . . . . . . 47.4 t -91.83 109.94 21.99 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 C-N-CA 124.103 0.961 . . . . 10.0 109.251 175.134 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1937 ' ' LYS . . . . . . . . . . . . . 96.7 mttt -97.04 142.5 28.91 Favored 'General case' 0 N--CA 1.482 1.152 0 CA-C-N 119.307 0.958 . . . . 10.0 111.042 167.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1938 ' ' TYR . . . . . . . . . . . . . 17.9 t80 -138.14 107.79 6.23 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 125.218 1.407 . . . . 10.0 110.525 167.416 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1939 ' ' ASN . . . . . . . . . . . . . 1.5 t30 59.62 74.71 0.43 Allowed 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 126.641 1.976 . . . . 10.0 112.308 -178.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1940 ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 70.01 -3.95 1.63 Allowed 'General case' 0 N--CA 1.484 1.235 0 N-CA-C 117.722 2.49 . . . . 10.0 117.722 169.248 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1941 ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -138.41 160.78 38.66 Favored 'General case' 0 C--O 1.243 0.733 0 C-N-CA 125.459 1.504 . . . . 10.0 110.776 175.468 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1942 ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -68.61 152.89 44.74 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-O 121.968 0.889 . . . . 10.0 111.737 170.422 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1943 ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -67.08 163.9 40.69 Favored Pre-proline 0 CA--C 1.547 0.841 0 C-N-CA 126.247 1.819 . . . . 10.0 112.789 -176.534 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1944 ' ' PRO . . . . . . . . . . . . . 41.0 Cg_exo -60.93 -13.17 25.67 Favored 'Trans proline' 0 C--N 1.348 0.529 1 C-N-CA 125.794 4.33 . . . . 10.0 117.748 -168.517 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1945 ' ' GLY . . . . . . . . . . . . . . . -124.59 -6.22 6.75 Favored Glycine 0 CA--C 1.54 1.634 0 C-N-CA 126.466 1.984 . . . . 10.0 115.452 178.407 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1946 ' ' SER . . . . . . . . . . . . . 3.3 m -70.56 156.26 92.2 Favored Pre-proline 0 CA--C 1.547 0.844 0 CA-C-N 118.93 1.365 . . . . 10.0 111.71 174.309 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1947 ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -74.43 162.74 91.89 Favored 'Cis proline' 0 CA--C 1.545 1.031 0 CA-C-O 122.016 0.757 . . . . 10.0 112.54 -8.442 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1948 ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -119.77 168.09 11.43 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 125.879 1.672 . . . . 10.0 111.399 172.557 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1949 ' ' THR . . . . . . . . . . . . . 25.6 m -134.26 101.48 5.03 Favored 'General case' 0 N--CA 1.485 1.323 0 CA-C-N 119.817 1.19 . . . . 10.0 111.088 175.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1950 ' ' ALA . . . . . . . . . . . . . . . -81.3 104.6 11.87 Favored 'General case' 0 C--O 1.234 0.276 0 C-N-CA 124.974 1.31 . . . . 10.0 112.629 176.407 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1951 ' ' ARG . . . . . . . . . . . . . 58.2 ttp85 -78.26 89.97 4.33 Favored 'General case' 0 C--O 1.24 0.583 0 N-CA-C 113.307 0.854 . . . . 10.0 113.307 173.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1952 ' ' VAL . . . . . . . . . . . . . 44.6 t -59.01 114.79 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 C-N-CA 128.49 2.716 . . . . 10.0 111.833 169.115 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1953 ' ' THR . . . . . . . . . . . . . 4.2 t -96.69 167.9 10.84 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 125.143 1.377 . . . . 10.0 111.667 172.08 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1954 ' ' GLY . . . . . . . . . . . . . . . -69.91 175.66 34.44 Favored Glycine 0 CA--C 1.54 1.595 0 CA-C-O 123.995 1.886 . . . . 10.0 116.193 -176.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1955 ' ' ASP . . . . . . . . . . . . . 33.5 t70 -75.75 -18.26 59.61 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 125.406 1.483 . . . . 10.0 112.791 173.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1956 ' ' ASP . . . . . . . . . . . . . 33.7 t70 . . . . . 0 N--CA 1.488 1.436 0 C-N-CA 126.91 2.084 . . . . 10.0 113.924 -178.2 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.431 0 N-CA-C 110.7 -0.96 . . . . 10.0 110.7 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' -3' ' ' ALA . . . . . . . . . . . . . . . -60.47 -19.45 56.66 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 115.763 1.764 . . . . 10.0 115.763 -170.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 91.4 mtp -118.23 7.88 12.18 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.327 1.451 . . . . 10.0 112.937 176.13 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' -1' ' ' VAL . . . . . . . . . . . . . 98.8 t -105.38 -25.5 3.66 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 C-N-CA 125.766 1.626 . . . . 10.0 112.013 -173.509 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1863 ' ' VAL . . . . . . . . . . . . . 24.7 m -73.67 167.4 2.29 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 C-N-CA 125.431 1.492 . . . . 10.0 112.432 169.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1864 ' ' ASN . . . . . . . . . . . . . 42.8 t-20 -125.6 122.42 36.42 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 125.559 1.544 . . . . 10.0 111.14 -172.429 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1865 ' ' CYS . . . . . . . . . . . . . 25.1 p -85.78 1.2 50.59 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 126.436 1.895 . . . . 10.0 114.92 179.407 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1866 ' ' GLY . . . . . . . . . . . . . . . -68.35 16.3 0.52 Allowed Glycine 0 CA--C 1.535 1.323 0 C-N-CA 127.676 2.56 . . . . 10.0 118.209 -169.415 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1867 ' ' HIS . . . . . . . . . . . . . 9.1 m80 64.66 -12.94 0.11 Allowed 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 117.594 2.442 . . . . 10.0 117.594 172.492 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1868 ' ' VAL . . . . . . . . . . . . . 7.1 p -63.62 138.99 22.03 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 C-N-CA 125.681 1.592 . . . . 10.0 110.67 168.649 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1869 ' ' THR . . . . . . . . . . . . . 22.9 p -130.41 164.51 24.59 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 124.771 1.228 . . . . 10.0 113.976 -177.108 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1870 ' ' ALA . . . . . . . . . . . . . . . -138.46 126.8 23.04 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.698 1.599 . . . . 10.0 110.921 178.143 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1871 ' ' TYR . . . . . . . . . . . . . 55.4 p90 -147.61 164.83 32.25 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.644 1.178 . . . . 10.0 112.752 179.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1872 ' ' GLY . . . . . . . . . . . . . . . 132.91 173.04 13.17 Favored Glycine 0 N--CA 1.479 1.526 0 O-C-N 121.468 -0.77 . . . . 10.0 113.433 176.222 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1873 ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -65.67 -33.75 43.73 Favored 'Trans proline' 0 CA--C 1.54 0.803 0 C-N-CA 123.468 2.779 . . . . 10.0 112.535 -177.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1874 ' ' GLY . . . . . . . . . . . . . . . -67.98 -0.85 16.09 Favored Glycine 0 N--CA 1.48 1.612 0 C-N-CA 124.746 1.165 . . . . 10.0 115.972 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1875 ' ' LEU . . . . . . . . . . . . . 34.0 mt -103.16 -2.58 27.09 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.229 1.412 . . . . 10.0 114.059 171.44 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1876 ' ' THR . . . . . . . . . . . . . 13.2 t -135.02 -30.78 1.04 Allowed 'General case' 0 N--CA 1.482 1.142 0 N-CA-C 114.76 1.393 . . . . 10.0 114.76 -175.539 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1877 ' ' HIS . . . . . . . . . . . . . 13.0 t60 -134.9 -173.95 3.46 Favored 'General case' 0 CA--C 1.555 1.171 0 C-N-CA 125.569 1.548 . . . . 10.0 111.66 176.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1878 ' ' GLY . . . . . . . . . . . . . . . -172.83 173.93 45.65 Favored Glycine 0 CA--C 1.54 1.617 0 CA-C-N 118.984 0.811 . . . . 10.0 113.72 171.587 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1879 ' ' VAL . . . . . . . . . . . . . 33.5 t -133.89 109.69 13.24 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 C-N-CA 125.845 1.658 . . . . 10.0 109.909 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1880 ' ' VAL . . . . . . . . . . . . . 1.1 t -66.03 141.06 18.55 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 CA-C-O 122.431 1.11 . . . . 10.0 113.664 177.559 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1881 ' ' ASN . . . . . . . . . . . . . 34.4 m-20 70.41 0.32 3.17 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 127.687 2.395 . . . . 10.0 115.092 -175.279 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1882 ' ' LYS . . . . . . . . . . . . . 44.0 tptt -124.01 140.35 34.5 Favored Pre-proline 0 N--CA 1.485 1.284 0 C-N-CA 124.39 1.076 . . . . 10.0 110.814 173.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1883 ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -58.35 140.5 94.68 Favored 'Trans proline' 0 C--O 1.241 0.644 0 C-N-CA 122.851 2.367 . . . . 10.0 112.132 -179.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1884 ' ' ALA . . . . . . . . . . . . . . . -124.31 157.32 35.23 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 125.671 1.588 . . . . 10.0 111.249 174.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1885 ' ' THR . . . . . . . . . . . . . 29.1 p -146.08 159.54 43.14 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 113.648 0.981 . . . . 10.0 113.648 -171.072 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1886 ' ' PHE . . . . . . . . . . . . . 45.5 p90 -148.54 167.5 25.23 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 125.798 1.639 . . . . 10.0 111.984 168.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1887 ' ' THR . . . . . . . . . . . . . 64.4 m -118.1 113.23 21.29 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 124.608 1.163 . . . . 10.0 110.458 -170.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1888 ' ' VAL . . . . . . . . . . . . . 2.5 m -96.57 148.41 5.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.327 -0.851 . . . . 10.0 109.191 166.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1889 ' ' ASN . . . . . . . . . . . . . 32.5 t30 -136.93 95.69 3.16 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 127.197 2.199 . . . . 10.0 111.859 -164.035 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1890 ' ' THR . . . . . . . . . . . . . 25.4 p -93.58 23.88 4.37 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 129.316 3.046 . . . . 10.0 117.493 -167.071 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1891 ' ' LYS . . . . . . . . . . . . . 28.4 mtpp -46.83 -37.38 8.62 Favored 'General case' 0 N--CA 1.486 1.374 0 N-CA-C 117.088 2.255 . . . . 10.0 117.088 -168.658 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -122.69 14.45 10.13 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 125.737 1.615 . . . . 10.0 113.407 -179.671 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1893 ' ' ALA . . . . . . . . . . . . . . . -60.58 -28.54 68.57 Favored 'General case' 0 CA--C 1.551 0.99 0 N-CA-C 115.842 1.793 . . . . 10.0 115.842 -171.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . 77.01 -55.1 3.52 Favored Glycine 0 CA--C 1.533 1.166 0 C-N-CA 126.484 1.993 . . . . 10.0 115.698 171.206 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1895 ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -134.31 139.24 45.55 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 128.589 2.755 . . . . 10.0 110.312 -174.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1896 ' ' GLY . . . . . . . . . . . . . . . -80.65 -159.71 21.65 Favored Glycine 0 CA--C 1.542 1.72 0 C-N-CA 125.268 1.413 . . . . 10.0 115.848 -175.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1897 ' ' GLY . . . . . . . . . . . . . . . 91.2 16.73 53.0 Favored Glycine 0 CA--C 1.539 1.559 0 N-CA-C 115.293 0.877 . . . . 10.0 115.293 176.216 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1898 ' ' LEU . . . . . 0.483 ' HA ' ' H ' ' A' 1939 ' ' ASN . 0.0 OUTLIER -55.77 161.29 2.23 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.504 1.122 . . . . 10.0 113.378 169.843 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A 1899 ' ' SER . . . . . . . . . . . . . 8.7 t -133.94 153.51 51.72 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.138 0.975 . . . . 10.0 112.315 -177.519 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1900 ' ' LEU . . . . . . . . . . . . . 7.6 mt -137.91 127.24 24.67 Favored 'General case' 0 C--O 1.241 0.626 0 C-N-CA 128.079 2.551 . . . . 10.0 110.514 -174.384 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1901 ' ' ALA . . . . . . . . . . . . . . . -143.49 162.47 35.74 Favored 'General case' 0 C--O 1.24 0.604 0 C-N-CA 124.526 1.13 . . . . 10.0 111.139 168.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1902 ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -132.83 129.33 58.01 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.889 0 C-N-CA 126.029 1.732 . . . . 10.0 108.349 179.191 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1903 ' ' GLU . . . . . . . . . . . . . 44.7 mm-40 -108.33 171.94 7.12 Favored 'General case' 0 C--N 1.319 -0.757 0 C-N-CA 128.049 2.54 . . . . 10.0 110.185 169.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1904 ' ' GLY . . . . . . . . . . . . . . . 144.27 -165.11 27.51 Favored Glycine 0 CA--C 1.542 1.738 0 C-N-CA 125.994 1.759 . . . . 10.0 112.624 -174.173 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1905 ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -70.24 -19.2 34.13 Favored 'Trans proline' 0 C--N 1.354 0.832 0 C-N-CA 122.419 2.08 . . . . 10.0 114.091 171.646 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1906 ' ' SER . . . . . . . . . . . . . 10.1 t -151.88 -176.04 5.48 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 128.181 2.592 . . . . 10.0 110.41 -167.401 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1907 ' ' LYS . . . . . . . . . . . . . 22.8 tptt -121.45 169.27 10.81 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 125.808 1.643 . . . . 10.0 112.651 -171.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1908 ' ' ALA . . . . . . . . . . . . . . . -146.09 166.15 26.99 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 125.68 1.592 . . . . 10.0 112.32 174.394 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1909 ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -64.61 158.14 25.17 Favored 'General case' 0 CA--C 1.557 1.216 0 C-N-CA 126.172 1.789 . . . . 10.0 113.246 174.511 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1910 ' ' ILE . . . . . . . . . . . . . 23.8 mm -129.26 104.51 11.11 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 C-N-CA 126.249 1.819 . . . . 10.0 110.23 177.469 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1911 ' ' SER . . . . . . . . . . . . . 49.4 m -135.91 89.11 2.45 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.486 1.115 . . . . 10.0 112.301 178.533 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1912 ' ' CYS . . . . . . . . . . . . . 28.6 p -79.2 156.21 28.28 Favored 'General case' 0 CA--C 1.546 0.811 0 O-C-N 121.877 -0.514 . . . . 10.0 110.524 168.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1913 ' ' THR . . . . . . . . . . . . . 13.1 m -141.31 100.34 3.77 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.46 1.104 . . . . 10.0 109.984 -179.077 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1914 ' ' ASP . . . . . . . . . . . . . 19.4 t70 -63.07 121.78 14.45 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.61 1.164 . . . . 10.0 111.829 169.223 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1915 ' ' ASN . . . . . . . . . . . . . 44.7 m-80 -128.82 163.35 25.4 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 124.42 1.088 . . . . 10.0 113.311 -171.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1916 ' ' GLN . . . . . . . . . . . . . 11.6 tp-100 -62.7 -23.83 67.34 Favored 'General case' 0 CA--C 1.556 1.173 0 C-N-CA 128.096 2.558 . . . . 10.0 113.245 -176.281 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1917 ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -86.95 -0.8 57.18 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 126.29 1.836 . . . . 10.0 113.568 -175.705 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1918 ' ' GLY . . . . . . . . . . . . . . . 87.49 39.2 7.31 Favored Glycine 0 CA--C 1.534 1.248 0 C-N-CA 125.245 1.403 . . . . 10.0 113.262 -178.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1919 ' ' THR . . . . . . . . . . . . . 37.2 p -129.92 159.52 36.39 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 126.32 1.848 . . . . 10.0 112.234 -177.273 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1920 ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -124.07 8.94 8.64 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 125.744 1.618 . . . . 10.0 114.2 178.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1921 ' ' SER . . . . . . . . . . . . . 73.9 m 13.58 100.07 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 130.805 3.642 . . . . 10.0 115.783 169.174 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1922 ' ' VAL . . . . . . . . . . . . . 85.1 t -100.52 120.29 49.8 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 124.765 1.226 . . . . 10.0 111.261 -175.004 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1923 ' ' SER . . . . . . . . . . . . . 51.8 m -103.45 145.9 29.31 Favored 'General case' 0 C--O 1.241 0.639 0 C-N-CA 127.191 2.197 . . . . 10.0 111.036 170.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1924 ' ' TYR . . . . . . . . . . . . . 13.8 p90 -146.75 173.36 12.45 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 126.254 1.822 . . . . 10.0 110.045 175.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1925 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -150.77 91.29 4.07 Favored Pre-proline 0 CA--C 1.544 0.724 0 O-C-N 120.39 -1.444 . . . . 10.0 110.319 -174.651 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1926 ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -76.08 154.49 37.55 Favored 'Trans proline' 0 CA--C 1.548 1.222 0 C-N-CA 123.344 2.696 . . . . 10.0 112.547 -176.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1927 ' ' VAL . . . . . . . . . . . . . 22.3 m -126.45 -13.63 4.11 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.196 0 N-CA-C 116.298 1.962 . . . . 10.0 116.298 -169.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1928 ' ' LEU . . . . . . . . . . . . . 5.8 tt -142.93 121.37 7.31 Favored Pre-proline 0 N--CA 1.475 0.789 0 C-N-CA 124.534 1.133 . . . . 10.0 110.465 175.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1929 ' ' PRO . . . . . . . . . . . . . 78.4 Cg_exo -55.95 141.47 86.08 Favored 'Trans proline' 0 CA--C 1.544 0.987 0 C-N-CA 124.067 3.178 . . . . 10.0 113.139 -170.641 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1930 ' ' GLY . . . . . . . . . . . . . . . 174.92 177.45 44.03 Favored Glycine 0 CA--C 1.532 1.103 0 N-CA-C 116.313 1.285 . . . . 10.0 116.313 -172.001 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1931 ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -90.35 82.74 5.92 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 126.176 1.79 . . . . 10.0 111.005 170.314 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1932 ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -73.84 148.44 42.39 Favored 'General case' 0 CA--C 1.548 0.879 0 O-C-N 120.701 -1.249 . . . . 10.0 110.319 178.537 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1933 ' ' SER . . . . . . . . . . . . . 59.5 m -124.82 108.25 11.75 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.376 1.47 . . . . 10.0 109.809 -179.672 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1934 ' ' ILE . . . . . . . . . . . . . 3.7 mm -76.85 133.7 30.35 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.332 0 N-CA-C 108.75 -0.833 . . . . 10.0 108.75 176.567 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1935 ' ' LEU . . . . . . . . . . . . . 4.3 mm? -112.6 110.84 21.24 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 127.917 2.487 . . . . 10.0 108.569 172.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1936 ' ' VAL . . . . . . . . . . . . . 73.7 t -118.73 106.91 20.41 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 C-N-CA 124.977 1.311 . . . . 10.0 110.063 173.285 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1937 ' ' LYS . . . . . . . . . . . . . 60.2 mttm -93.95 116.77 29.25 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.944 1.298 . . . . 10.0 108.256 168.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1938 ' ' TYR . . . . . . . . . . . . . 2.3 t80 -83.71 101.82 11.82 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 118.979 -1.088 . . . . 10.0 109.181 170.111 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1939 ' ' ASN . . . . . 0.483 ' H ' ' HA ' ' A' 1898 ' ' LEU . 17.6 t-20 61.4 -43.58 0.13 Allowed 'General case' 0 CA--C 1.548 0.875 1 C-N-CA 131.965 4.106 . . . . 10.0 115.265 -170.901 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A 1940 ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -150.16 -31.05 0.2 Allowed 'General case' 0 CA--C 1.55 0.974 0 O-C-N 120.624 -1.297 . . . . 10.0 114.224 -179.413 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1941 ' ' GLN . . . . . . . . . . . . . 60.5 mm-40 -118.03 145.53 44.71 Favored 'General case' 0 C--N 1.339 0.134 0 C-N-CA 124.45 1.1 . . . . 10.0 110.176 -170.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1942 ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -74.39 145.03 44.08 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-O 122.106 0.955 . . . . 10.0 113.296 -170.639 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1943 ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.02 160.86 52.83 Favored Pre-proline 0 C--N 1.316 -0.887 0 C-N-CA 124.398 1.079 . . . . 10.0 113.093 -174.003 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1944 ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -58.84 106.49 0.29 Allowed 'Trans proline' 0 CA--C 1.541 0.868 0 C-N-CA 124.891 3.727 . . . . 10.0 110.479 178.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1945 ' ' GLY . . . . . . . . . . . . . . . 96.42 -4.44 64.36 Favored Glycine 0 N--CA 1.473 1.132 0 C-N-CA 124.931 1.253 . . . . 10.0 115.068 179.443 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1946 ' ' SER . . . . . . . . . . . . . 3.1 m -64.4 149.29 95.13 Favored Pre-proline 0 CA--C 1.558 1.261 0 CA-C-N 119.867 1.833 . . . . 10.0 112.214 168.491 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1947 ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -75.27 162.9 91.77 Favored 'Cis proline' 0 CA--C 1.542 0.897 0 CA-C-N 119.667 0.917 . . . . 10.0 113.115 -5.552 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1948 ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -117.54 105.92 12.59 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.665 1.586 . . . . 10.0 112.287 -171.013 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1949 ' ' THR . . . . . . . . . . . . . 21.0 m -71.75 86.26 0.94 Allowed 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.597 1.559 . . . . 10.0 111.899 178.344 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1950 ' ' ALA . . . . . . . . . . . . . . . -84.19 99.8 10.76 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 126.92 2.088 . . . . 10.0 111.496 175.105 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1951 ' ' ARG . . . . . . . . . . . . . 48.0 ttm-85 -86.28 82.86 7.86 Favored 'General case' 0 N--CA 1.482 1.164 0 O-C-N 120.992 -1.068 . . . . 10.0 112.53 -176.494 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1952 ' ' VAL . . . . . . . . . . . . . 6.3 t -55.17 129.15 16.2 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 C-N-CA 128.629 2.771 . . . . 10.0 112.725 171.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1953 ' ' THR . . . . . . . . . . . . . 6.2 t -111.73 160.77 16.98 Favored 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 124.455 1.102 . . . . 10.0 111.62 175.17 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1954 ' ' GLY . . . . . . . . . . . . . . . -98.36 82.43 0.63 Allowed Glycine 0 N--CA 1.473 1.13 0 C-N-CA 126.286 1.898 . . . . 10.0 112.311 -179.04 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1955 ' ' ASP . . . . . . . . . . . . . 30.0 t70 -63.63 -25.66 68.32 Favored 'General case' 0 CA--C 1.553 1.059 0 N-CA-C 115.05 1.5 . . . . 10.0 115.05 -179.542 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1956 ' ' ASP . . . . . . . . . . . . . 30.7 t70 . . . . . 0 C--O 1.252 1.224 0 C-N-CA 127.525 2.33 . . . . 10.0 112.462 179.086 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.691 0 N-CA-C 111.192 -0.763 . . . . 10.0 111.192 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' -3' ' ' ALA . . . . . . . . . . . . . . . -66.57 173.45 3.38 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 124.444 1.098 . . . . 10.0 113.082 173.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 25.2 ttt -133.63 146.23 50.73 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 126.29 1.836 . . . . 10.0 109.559 176.081 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -1' ' ' VAL . . . . . . . . . . . . . 34.1 m -64.18 -23.5 33.51 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.232 0 C-N-CA 124.918 1.287 . . . . 10.0 114.144 -174.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1863 ' ' VAL . . . . . . . . . . . . . 57.0 t -74.92 -29.27 22.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 C-N-CA 125.72 1.608 . . . . 10.0 110.965 173.384 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1864 ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -95.84 70.23 2.92 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.107 1.363 . . . . 10.0 111.388 -171.607 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1865 ' ' CYS . . . . . . . . . . . . . 74.8 m -65.64 168.16 8.01 Favored 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 124.808 1.243 . . . . 10.0 113.368 177.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1866 ' ' GLY . . . . . . . . . . . . . . . -89.78 171.54 37.82 Favored Glycine 0 CA--C 1.539 1.562 0 O-C-N 120.965 -1.084 . . . . 10.0 115.739 -178.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1867 ' ' HIS . . . . . . . . . . . . . 8.9 p-80 -66.52 170.33 6.35 Favored 'General case' 0 CA--C 1.558 1.287 0 C-N-CA 126.502 1.921 . . . . 10.0 113.442 173.41 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1868 ' ' VAL . . . . . . . . . . . . . 9.1 p -54.99 115.16 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 C-N-CA 125.608 1.563 . . . . 10.0 110.837 177.556 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1869 ' ' THR . . . . . . . . . . . . . 3.6 m -156.13 151.25 26.47 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 128.974 2.91 . . . . 10.0 106.854 179.191 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1870 ' ' ALA . . . . . . . . . . . . . . . -81.05 135.19 35.79 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 119.478 1.035 . . . . 10.0 111.696 168.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1871 ' ' TYR . . . . . . . . . . . . . 47.9 p90 -147.26 155.18 41.83 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 125.438 1.495 . . . . 10.0 112.246 175.291 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1872 ' ' GLY . . . . . . . . . . . . . . . 135.85 170.26 12.01 Favored Glycine 0 C--N 1.344 1.003 0 C-N-CA 125.535 1.541 . . . . 10.0 113.162 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1873 ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -69.4 -30.04 24.6 Favored 'Trans proline' 0 CA--C 1.545 1.031 0 C-N-CA 123.199 2.599 . . . . 10.0 113.761 -177.504 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1874 ' ' GLY . . . . . . . . . . . . . . . -66.94 -4.66 28.6 Favored Glycine 0 CA--C 1.539 1.575 0 N-CA-C 115.59 0.996 . . . . 10.0 115.59 177.493 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1875 ' ' LEU . . . . . . . . . . . . . 26.3 mt -93.01 -25.1 18.11 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 118.999 1.399 . . . . 10.0 113.633 171.524 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1876 ' ' THR . . . . . . . . . . . . . 69.5 p -96.82 -38.03 10.02 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 123.929 0.892 . . . . 10.0 111.847 -177.052 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1877 ' ' HIS . . . . . . . . . . . . . 37.1 p-80 -143.96 -179.13 6.29 Favored 'General case' 0 C--O 1.235 0.342 0 C-N-CA 126.017 1.727 . . . . 10.0 112.176 -179.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1878 ' ' GLY . . . . . . . . . . . . . . . -153.55 172.2 32.36 Favored Glycine 0 N--CA 1.47 0.946 0 C-N-CA 125.326 1.441 . . . . 10.0 113.488 177.084 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1879 ' ' VAL . . . . . . . . . . . . . 12.4 p -139.94 143.23 30.51 Favored 'Isoleucine or valine' 0 C--O 1.244 0.778 0 C-N-CA 125.763 1.625 . . . . 10.0 109.958 170.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1880 ' ' VAL . . . . . . . . . . . . . 61.8 t -94.34 142.37 13.52 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 C-N-CA 125.272 1.429 . . . . 10.0 112.811 -169.239 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1881 ' ' ASN . . . . . . . . . . . . . 81.3 m-20 58.52 20.68 7.78 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 127.32 2.248 . . . . 10.0 113.618 -174.3 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1882 ' ' LYS . . . . . 0.41 ' HA ' ' HD3' ' A' 1883 ' ' PRO . 0.5 OUTLIER -142.36 142.03 22.67 Favored Pre-proline 0 CA--C 1.543 0.696 0 C-N-CA 126.148 1.779 . . . . 10.0 110.07 171.711 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A 1883 ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' 1882 ' ' LYS . 66.4 Cg_exo -56.14 146.26 71.67 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 124.233 3.288 . . . . 10.0 115.275 -171.384 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1884 ' ' ALA . . . . . . . . . . . . . . . -128.57 139.07 52.48 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 124.723 1.209 . . . . 10.0 109.811 174.598 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1885 ' ' THR . . . . . . . . . . . . . 23.4 p -145.74 164.3 32.27 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.882 -1.136 . . . . 10.0 112.851 -173.398 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1886 ' ' PHE . . . . . . . . . . . . . 54.5 p90 -154.37 173.78 15.74 Favored 'General case' 0 C--O 1.246 0.874 0 C-N-CA 126.085 1.754 . . . . 10.0 110.916 171.675 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1887 ' ' THR . . . . . . . . . . . . . 29.0 m -118.12 141.8 48.1 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 127.266 2.226 . . . . 10.0 110.203 -172.713 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1888 ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -147.11 71.32 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 128.298 2.639 . . . . 10.0 107.644 -173.288 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1889 ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -67.65 77.23 0.19 Allowed 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 127.575 2.35 . . . . 10.0 113.803 -171.275 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1890 ' ' THR . . . . . . . . . . . . . 3.8 p -74.97 11.42 1.1 Allowed 'General case' 0 N--CA 1.475 0.793 1 C-N-CA 131.855 4.062 . . . . 10.0 116.332 -178.16 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1891 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.73 -28.31 0.23 Allowed 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 117.509 2.411 . . . . 10.0 117.509 -174.488 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 21.9 t70 -108.79 -6.41 15.87 Favored 'General case' 0 CA--C 1.556 1.205 0 C-N-CA 126.991 2.116 . . . . 10.0 115.226 -179.331 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1893 ' ' ALA . . . . . . . . . . . . . . . -66.31 -45.47 80.25 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.676 1.19 . . . . 10.0 112.083 -174.098 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . 64.85 -77.36 0.07 OUTLIER Glycine 0 CA--C 1.541 1.677 0 C-N-CA 125.438 1.494 . . . . 10.0 114.409 179.333 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1895 ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -132.4 6.85 4.16 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 127.096 2.158 . . . . 10.0 113.766 -174.537 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1896 ' ' GLY . . . . . . . . . . . . . . . -75.09 -32.16 56.68 Favored Glycine 0 N--CA 1.477 1.432 0 C-N-CA 125.7 1.619 . . . . 10.0 114.688 -175.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1897 ' ' GLY . . . . . . . . . . . . . . . 91.87 119.71 2.49 Favored Glycine 0 CA--C 1.537 1.408 0 C-N-CA 125.716 1.626 . . . . 10.0 115.181 170.19 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1898 ' ' LEU . . . . . . . . . . . . . 5.1 tt -115.22 118.43 33.29 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.567 1.547 . . . . 10.0 107.998 169.479 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1899 ' ' SER . . . . . . . . . . . . . 49.8 m -131.1 45.57 2.79 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 114.649 1.352 . . . . 10.0 114.649 -167.557 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1900 ' ' LEU . . . . . . . . . . . . . 3.3 pp -60.25 162.95 5.42 Favored 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 115.724 1.749 . . . . 10.0 115.724 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1901 ' ' ALA . . . . . . . . . . . . . . . -143.55 172.28 13.0 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 126.246 1.818 . . . . 10.0 112.665 170.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1902 ' ' ILE . . . . . . . . . . . . . 2.0 mp -125.91 137.31 58.12 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 C-N-CA 126.185 1.794 . . . . 10.0 109.71 172.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1903 ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -121.86 171.72 8.7 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 127.928 2.491 . . . . 10.0 112.09 169.032 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1904 ' ' GLY . . . . . . . . . . . . . . . 165.7 -173.52 41.36 Favored Glycine 0 N--CA 1.492 2.422 0 C-N-CA 124.278 0.942 . . . . 10.0 112.687 -177.362 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1905 ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -68.63 -21.26 39.64 Favored 'Trans proline' 0 CA--C 1.542 0.889 0 C-N-CA 122.899 2.4 . . . . 10.0 111.557 173.5 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1906 ' ' SER . . . . . . . . . . . . . 19.0 t -144.46 -15.66 0.56 Allowed 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 126.423 1.889 . . . . 10.0 113.163 -168.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1907 ' ' LYS . . . . . . . . . . . . . 20.7 ptmt 42.91 -166.74 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 130.44 3.496 . . . . 10.0 115.613 178.495 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1908 ' ' ALA . . . . . . . . . . . . . . . -151.28 165.69 33.24 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.662 1.185 . . . . 10.0 113.084 -176.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1909 ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -84.53 137.4 33.35 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 125.514 1.526 . . . . 10.0 111.898 174.539 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1910 ' ' ILE . . . . . . . . . . . . . 42.0 mm -82.95 135.67 24.35 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 C-N-CA 125.651 1.581 . . . . 10.0 109.926 -178.363 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1911 ' ' SER . . . . . . . . . . . . . 9.7 t -147.4 91.18 1.94 Allowed 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.505 1.122 . . . . 10.0 112.415 170.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1912 ' ' CYS . . . . . . . . . . . . . 17.0 p -65.3 144.36 57.18 Favored 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 125.248 1.419 . . . . 10.0 112.636 173.281 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1913 ' ' THR . . . . . . . . . . . . . 11.1 m -133.04 102.18 5.51 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.646 1.178 . . . . 10.0 110.774 -178.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1914 ' ' ASP . . . . . . . . . . . . . 18.6 t70 -65.84 103.83 0.98 Allowed 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.675 1.19 . . . . 10.0 111.264 172.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1915 ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -102.62 156.27 17.73 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.392 1.477 . . . . 10.0 111.636 178.626 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1916 ' ' GLN . . . . . . . . . . . . . 4.7 pp0? -65.63 -17.9 64.93 Favored 'General case' 0 CA--C 1.552 1.025 0 N-CA-C 116.478 2.029 . . . . 10.0 116.478 -171.559 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1917 ' ' ASP . . . . . . . . . . . . . 17.9 t70 -81.41 -4.18 55.02 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.033 0.933 . . . . 10.0 112.927 173.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1918 ' ' GLY . . . . . . . . . . . . . . . 86.08 53.55 2.96 Favored Glycine 0 CA--C 1.535 1.343 0 C-N-CA 125.022 1.296 . . . . 10.0 112.947 179.541 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1919 ' ' THR . . . . . . . . . . . . . 3.5 t -131.54 146.8 52.4 Favored 'General case' 0 N--CA 1.476 0.873 0 O-C-N 121.851 -0.794 . . . . 10.0 112.058 171.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1920 ' ' CYS . . . . . . . . . . . . . 4.1 t -86.06 0.7 52.78 Favored 'General case' 0 CA--C 1.556 1.191 0 C-N-CA 126.731 2.012 . . . . 10.0 112.622 179.707 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1921 ' ' SER . . . . . . . . . . . . . 43.2 m -3.33 93.55 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 131.048 3.739 . . . . 10.0 117.331 -176.424 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1922 ' ' VAL . . . . . . . . . . . . . 44.4 t -77.33 133.26 31.08 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.634 0 CA-C-O 121.741 0.781 . . . . 10.0 111.715 178.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1923 ' ' SER . . . . . . . . . . . . . 50.2 m -120.27 128.93 53.77 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 127.401 2.28 . . . . 10.0 110.769 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1924 ' ' TYR . . . . . . . . . . . . . 18.9 p90 -139.04 177.51 7.84 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.438 1.495 . . . . 10.0 111.667 179.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1925 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -152.12 87.43 4.29 Favored Pre-proline 0 CA--C 1.557 1.246 0 O-C-N 121.393 -0.817 . . . . 10.0 109.607 -170.157 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1926 ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -68.59 128.4 17.07 Favored 'Trans proline' 0 C--N 1.352 0.713 0 C-N-CA 122.91 2.407 . . . . 10.0 111.02 -174.503 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1927 ' ' VAL . . . . . . . . . . . . . 34.8 m -87.9 -15.75 9.27 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.18 0 C-N-CA 126.315 1.846 . . . . 10.0 112.628 -177.213 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1928 ' ' LEU . . . . . . . . . . . . . 14.0 mt -140.91 163.12 44.68 Favored Pre-proline 0 CA--C 1.545 0.754 0 C-N-CA 125.184 1.394 . . . . 10.0 111.126 172.182 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1929 ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -74.51 167.6 26.75 Favored 'Trans proline' 0 C--N 1.353 0.794 0 C-N-CA 123.157 2.572 . . . . 10.0 112.665 173.479 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1930 ' ' GLY . . . . . . . . . . . . . . . 157.56 -178.14 34.03 Favored Glycine 0 C--N 1.338 0.646 0 CA-C-O 122.696 1.164 . . . . 10.0 115.217 177.372 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1931 ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -96.25 78.78 3.11 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.664 1.585 . . . . 10.0 109.632 173.016 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1932 ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -73.56 156.14 38.42 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.835 0.854 . . . . 10.0 109.707 -177.687 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1933 ' ' SER . . . . . . . . . . . . . 58.5 m -127.52 115.37 18.74 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.48 1.112 . . . . 10.0 110.593 -179.066 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1934 ' ' ILE . . . . . . . . . . . . . 3.5 mm -85.49 99.31 7.3 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.821 0 O-C-N 121.124 -0.985 . . . . 10.0 109.104 173.595 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1935 ' ' LEU . . . . . . . . . . . . . 3.0 mm? -74.5 75.83 1.95 Allowed 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 125.768 1.627 . . . . 10.0 110.287 175.707 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1936 ' ' VAL . . . . . . . . . . . . . 41.0 t -79.21 108.42 12.76 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 O-C-N 120.209 -1.557 . . . . 10.0 111.192 -178.549 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1937 ' ' LYS . . . . . . . . . . . . . 65.1 mttm -101.26 137.07 40.09 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 125.206 1.402 . . . . 10.0 112.359 170.339 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1938 ' ' TYR . . . . . . . . . . . . . 71.9 t80 -131.36 116.81 18.04 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 125.658 1.583 . . . . 10.0 108.945 166.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1939 ' ' ASN . . . . . . . . . . . . . 13.4 t-20 51.95 72.54 0.38 Allowed 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 127.6 2.36 . . . . 10.0 112.748 -168.291 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1940 ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 63.68 -19.86 0.06 Allowed 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 128.556 2.742 . . . . 10.0 118.3 175.518 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1941 ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -120.32 154.72 34.62 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 126.211 1.804 . . . . 10.0 110.174 -175.645 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1942 ' ' HIS . . . . . . . . . . . . . 93.5 m-70 -69.62 147.29 50.87 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 113.517 0.932 . . . . 10.0 113.517 -175.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1943 ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.2 163.47 31.1 Favored Pre-proline 0 N--CA 1.475 0.81 0 C-N-CA 126.788 2.035 . . . . 10.0 111.175 179.507 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1944 ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -56.71 107.8 0.3 Allowed 'Trans proline' 0 N--CA 1.451 -1.012 0 C-N-CA 125.105 3.87 . . . . 10.0 113.025 -176.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1945 ' ' GLY . . . . . . . . . . . . . . . 89.64 0.43 78.95 Favored Glycine 0 CA--C 1.543 1.79 0 N-CA-C 117.007 1.563 . . . . 10.0 117.007 179.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1946 ' ' SER . . . . . . . . . . . . . 1.9 m -72.46 162.76 72.3 Favored Pre-proline 0 CA--C 1.548 0.866 0 CA-C-N 119.253 1.527 . . . . 10.0 114.016 177.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1947 ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -72.48 163.8 87.35 Favored 'Cis proline' 0 C--N 1.357 0.996 0 N-CA-C 114.375 0.875 . . . . 10.0 114.375 -3.259 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1948 ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -97.21 114.36 26.07 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.522 1.129 . . . . 10.0 109.529 176.541 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1949 ' ' THR . . . . . . . . . . . . . 49.8 m -79.39 101.74 8.3 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 124.093 0.957 . . . . 10.0 111.269 175.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1950 ' ' ALA . . . . . . . . . . . . . . . -93.66 107.76 19.59 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 128.073 2.549 . . . . 10.0 111.833 -175.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1951 ' ' ARG . . . . . . . . . . . . . 18.7 ttt85 -78.49 85.25 4.58 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 113.746 1.017 . . . . 10.0 113.746 -179.611 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1952 ' ' VAL . . . . . . . . . . . . . 2.5 t -66.42 104.05 0.57 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.879 0 C-N-CA 128.042 2.537 . . . . 10.0 111.836 173.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1953 ' ' THR . . . . . . . . . . . . . 26.2 m -81.17 132.99 35.38 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 124.896 1.278 . . . . 10.0 111.553 177.103 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1954 ' ' GLY . . . . . . . . . . . . . . . -107.16 157.44 15.55 Favored Glycine 0 CA--C 1.535 1.34 0 C-N-CA 124.96 1.266 . . . . 10.0 116.148 -170.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1955 ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -83.49 -20.48 33.88 Favored 'General case' 0 CA--C 1.563 1.455 0 N-CA-C 114.831 1.419 . . . . 10.0 114.831 172.122 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1956 ' ' ASP . . . . . . . . . . . . . 37.3 t70 . . . . . 0 C--O 1.256 1.43 0 C-N-CA 126.378 1.871 . . . . 10.0 113.826 178.78 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.666 0 N-CA-C 112.048 -0.421 . . . . 10.0 112.048 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' -3' ' ' ALA . . . . . . . . . . . . . . . -72.63 -6.26 43.05 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 115.363 1.616 . . . . 10.0 115.363 -176.586 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 78.6 mtm -68.17 -14.25 62.84 Favored 'General case' 0 N--CA 1.48 1.06 0 N-CA-C 114.817 1.414 . . . . 10.0 114.817 -175.346 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' -1' ' ' VAL . . . . . . . . . . . . . 35.4 m -131.3 160.44 42.31 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 C-N-CA 125.071 1.348 . . . . 10.0 112.487 -178.4 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1863 ' ' VAL . . . . . . . . . . . . . 67.8 t -68.69 -53.56 26.4 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.259 0 C-N-CA 124.078 0.951 . . . . 10.0 109.094 169.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1864 ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -152.39 164.77 36.82 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 126.55 1.94 . . . . 10.0 110.208 170.144 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1865 ' ' CYS . . . . . . . . . . . . . 80.1 m -68.91 -16.36 63.73 Favored 'General case' 0 CA--C 1.551 1.004 0 N-CA-C 114.531 1.308 . . . . 10.0 114.531 174.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1866 ' ' GLY . . . . . . . . . . . . . . . -127.01 102.97 0.64 Allowed Glycine 0 CA--C 1.537 1.413 0 C-N-CA 126.647 2.07 . . . . 10.0 112.047 178.391 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1867 ' ' HIS . . . . . . . . . . . . . 4.6 t-80 -76.96 -17.6 58.78 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 125.684 1.594 . . . . 10.0 114.493 -178.05 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1868 ' ' VAL . . . . . 0.512 HG23 ' HA ' ' A' 1890 ' ' THR . 3.5 p -134.06 132.9 56.14 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 128.665 2.786 . . . . 10.0 108.169 176.714 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1869 ' ' THR . . . . . . . . . . . . . 77.9 p -148.44 172.51 14.33 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 125.213 1.405 . . . . 10.0 113.225 -166.073 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1870 ' ' ALA . . . . . 0.417 ' HB2' HG12 ' A' 1888 ' ' VAL . . . -130.97 141.78 50.29 Favored 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 127.408 2.283 . . . . 10.0 110.671 173.103 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1871 ' ' TYR . . . . . . . . . . . . . 49.4 p90 -152.73 158.79 42.83 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.592 1.157 . . . . 10.0 113.161 176.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1872 ' ' GLY . . . . . . . . . . . . . . . 136.57 169.9 11.83 Favored Glycine 0 CA--C 1.536 1.388 0 C-N-CA 126.234 1.873 . . . . 10.0 114.158 171.654 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1873 ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -72.13 -26.38 18.11 Favored 'Trans proline' 0 C--N 1.352 0.754 0 C-N-CA 124.058 3.172 . . . . 10.0 113.564 -174.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1874 ' ' GLY . . . . . . . . . . . . . . . -66.79 -6.17 35.36 Favored Glycine 0 CA--C 1.534 1.259 0 CA-C-O 118.709 -1.051 . . . . 10.0 114.313 173.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1875 ' ' LEU . . . . . . . . . . . . . 41.0 mt -90.59 -9.62 46.41 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-N 119.059 1.429 . . . . 10.0 113.744 172.398 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1876 ' ' THR . . . . . . . . . . . . . 45.1 p -109.74 -31.54 7.41 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 114.26 1.207 . . . . 10.0 114.26 179.202 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1877 ' ' HIS . . . . . . . . . . . . . 41.7 p-80 -146.99 173.63 12.26 Favored 'General case' 0 N--CA 1.475 0.789 0 O-C-N 120.335 -1.478 . . . . 10.0 112.612 179.351 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1878 ' ' GLY . . . . . . . . . . . . . . . -151.79 170.73 31.25 Favored Glycine 0 CA--C 1.545 1.915 0 C-N-CA 124.541 1.067 . . . . 10.0 114.536 177.131 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1879 ' ' VAL . . . . . . . . . . . . . 25.8 t -134.04 107.65 10.21 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 C-N-CA 124.716 1.206 . . . . 10.0 110.717 179.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1880 ' ' VAL . . . . . 0.408 HG23 HG12 ' A' 1952 ' ' VAL . 91.2 t -50.99 123.35 2.64 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.052 0 C-N-CA 124.533 1.133 . . . . 10.0 110.755 -178.273 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1881 ' ' ASN . . . . . . . . . . . . . 82.0 m-20 72.75 9.6 5.56 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 128.947 2.899 . . . . 10.0 115.77 -178.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1882 ' ' LYS . . . . . 0.405 ' HA ' ' HD3' ' A' 1883 ' ' PRO . 10.1 tppt? -116.05 135.0 22.69 Favored Pre-proline 0 CA--C 1.552 1.048 0 C-N-CA 124.565 1.146 . . . . 10.0 110.346 170.346 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1883 ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' 1882 ' ' LYS . 50.6 Cg_exo -54.95 126.63 23.21 Favored 'Trans proline' 0 N--CA 1.463 -0.292 0 C-N-CA 123.922 3.082 . . . . 10.0 113.267 -177.542 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1884 ' ' ALA . . . . . . . . . . . . . . . -106.12 146.72 29.83 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.674 1.19 . . . . 10.0 110.951 174.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1885 ' ' THR . . . . . . . . . . . . . 34.0 p -145.76 159.12 43.63 Favored 'General case' 0 N--CA 1.48 1.065 0 N-CA-C 113.413 0.894 . . . . 10.0 113.413 -173.129 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1886 ' ' PHE . . . . . . . . . . . . . 52.7 p90 -155.68 175.4 13.97 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 125.795 1.638 . . . . 10.0 112.067 168.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1887 ' ' THR . . . . . . . . . . . . . 89.1 m -117.38 140.88 49.0 Favored 'General case' 0 N--CA 1.472 0.631 0 O-C-N 120.634 -1.291 . . . . 10.0 110.198 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1888 ' ' VAL . . . . . 0.456 HG23 ' HB3' ' A' 1920 ' ' CYS . 2.6 m -118.64 156.26 20.59 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 C-N-CA 125.125 1.37 . . . . 10.0 108.585 166.34 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1889 ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -143.34 108.97 5.11 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 125.408 1.483 . . . . 10.0 110.244 -173.598 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1890 ' ' THR . . . . . 0.512 ' HA ' HG23 ' A' 1868 ' ' VAL . 77.0 p -87.17 -13.81 42.95 Favored 'General case' 0 N--CA 1.483 1.191 0 N-CA-C 116.182 1.919 . . . . 10.0 116.182 -178.669 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1891 ' ' LYS . . . . . . . . . . . . . 90.0 mttt 46.87 -90.49 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 128.063 2.545 . . . . 10.0 113.306 -170.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 29.4 t70 -88.17 -68.12 0.78 Allowed 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.949 0.9 . . . . 10.0 111.892 173.147 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1893 ' ' ALA . . . . . . . . . . . . . . . 53.91 -32.12 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 131.637 3.975 . . . . 10.0 119.059 -175.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . 60.65 -124.95 37.15 Favored Glycine 0 CA--C 1.535 1.319 0 CA-C-N 120.797 1.635 . . . . 10.0 112.432 -174.029 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1895 ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -79.02 6.44 9.36 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 125.509 1.524 . . . . 10.0 114.017 171.389 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1896 ' ' GLY . . . . . . . . . . . . . . . -59.4 96.64 0.08 OUTLIER Glycine 0 CA--C 1.536 1.372 0 C-N-CA 127.909 2.671 . . . . 10.0 112.725 177.118 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1897 ' ' GLY . . . . . . . . . . . . . . . -80.91 84.5 1.42 Allowed Glycine 0 N--CA 1.47 0.94 0 C-N-CA 125.697 1.618 . . . . 10.0 112.743 -175.732 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1898 ' ' LEU . . . . . . . . . . . . . 2.6 tm? -62.68 114.19 3.45 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 126.043 1.737 . . . . 10.0 108.97 168.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1899 ' ' SER . . . . . . . . . . . . . 23.3 t -135.02 148.95 50.08 Favored 'General case' 0 C--O 1.221 -0.445 0 C-N-CA 126.295 1.838 . . . . 10.0 110.45 -179.141 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1900 ' ' LEU . . . . . . . . . . . . . 4.0 pp -150.96 166.41 30.73 Favored 'General case' 0 C--O 1.243 0.76 0 N-CA-C 114.708 1.373 . . . . 10.0 114.708 -178.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1901 ' ' ALA . . . . . . . . . . . . . . . -145.13 170.11 16.85 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.546 1.138 . . . . 10.0 111.264 169.276 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1902 ' ' ILE . . . . . . . . . . . . . 1.2 mp -115.53 119.98 63.4 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 C-N-CA 125.242 1.417 . . . . 10.0 108.734 172.503 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1903 ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -105.55 175.21 5.57 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 126.404 1.882 . . . . 10.0 110.575 171.111 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1904 ' ' GLY . . . . . . . . . . . . . . . 148.9 -156.27 26.75 Favored Glycine 0 N--CA 1.476 1.362 0 C-N-CA 124.932 1.253 . . . . 10.0 112.326 -173.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1905 ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -72.95 -15.99 26.0 Favored 'Trans proline' 0 C--N 1.352 0.759 0 CA-C-N 120.081 1.941 . . . . 10.0 112.49 167.443 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1906 ' ' SER . . . . . . . . . . . . . 12.0 t -151.16 167.18 28.56 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 128.669 2.788 . . . . 10.0 110.476 -168.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1907 ' ' LYS . . . . . . . . . . . . . 30.1 mtpp -131.67 173.84 10.73 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 126.686 1.994 . . . . 10.0 111.883 -176.052 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1908 ' ' ALA . . . . . . . . . . . . . . . -139.51 165.04 28.3 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.093 1.357 . . . . 10.0 112.881 -177.411 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1909 ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -70.29 132.02 45.06 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 124.926 1.29 . . . . 10.0 110.057 168.428 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1910 ' ' ILE . . . . . . . . . . . . . 45.0 mm -111.92 120.18 61.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 O-C-N 121.532 -0.73 . . . . 10.0 109.797 -174.408 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1911 ' ' SER . . . . . . . . . . . . . 69.7 m -127.51 149.96 49.9 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 125.938 1.695 . . . . 10.0 110.467 174.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1912 ' ' CYS . . . . . . . . . . . . . 31.8 p -141.42 158.32 44.02 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 126.308 1.843 . . . . 10.0 111.075 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1913 ' ' THR . . . . . . . . . . . . . 34.4 m -143.31 103.67 4.15 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.393 1.077 . . . . 10.0 110.248 -174.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1914 ' ' ASP . . . . . . . . . . . . . 23.0 t70 -73.46 99.83 3.09 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 125.832 1.653 . . . . 10.0 112.604 174.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1915 ' ' ASN . . . . . . . . . . . . . 44.0 m-20 -81.32 -178.16 6.8 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 126.213 1.805 . . . . 10.0 113.933 -178.25 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1916 ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -56.35 -38.19 71.05 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 126.505 1.922 . . . . 10.0 113.641 -179.627 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1917 ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -94.37 3.67 54.88 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.631 1.173 . . . . 10.0 113.498 -172.545 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1918 ' ' GLY . . . . . . . . . . . . . . . 86.47 2.7 84.84 Favored Glycine 0 CA--C 1.538 1.502 0 C-N-CA 124.596 1.093 . . . . 10.0 114.706 -175.685 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1919 ' ' THR . . . . . . . . . . . . . 15.5 p -66.57 141.89 57.69 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 120.942 -1.328 . . . . 10.0 109.988 167.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1920 ' ' CYS . . . . . 0.456 ' HB3' HG23 ' A' 1888 ' ' VAL . 0.5 OUTLIER -114.26 9.93 17.11 Favored 'General case' 0 CA--C 1.552 1.031 0 N-CA-C 114.575 1.324 . . . . 10.0 114.575 -170.479 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A 1921 ' ' SER . . . . . . . . . . . . . 67.0 m 17.94 95.56 0.0 OUTLIER 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 130.867 3.667 . . . . 10.0 116.851 172.006 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1922 ' ' VAL . . . . . . . . . . . . . 78.6 t -93.39 138.62 19.86 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 C-N-CA 124.496 1.118 . . . . 10.0 110.594 -175.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1923 ' ' SER . . . . . . . . . . . . . 70.1 m -131.49 135.52 47.16 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 127.157 2.183 . . . . 10.0 109.867 177.23 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1924 ' ' TYR . . . . . . . . . . . . . 17.1 p90 -145.29 176.69 9.36 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 126.495 1.918 . . . . 10.0 112.118 178.514 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1925 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -140.83 99.34 6.79 Favored Pre-proline 0 N--CA 1.477 0.915 0 C-N-CA 123.392 0.677 . . . . 10.0 110.54 -176.44 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1926 ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -66.15 145.14 77.86 Favored 'Trans proline' 0 C--N 1.354 0.844 0 C-N-CA 122.706 2.271 . . . . 10.0 111.722 172.675 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1927 ' ' VAL . . . . . . . . . . . . . 34.7 m -130.43 -2.27 2.45 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.094 0 C-N-CA 124.214 1.006 . . . . 10.0 113.683 -175.064 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1928 ' ' LEU . . . . . . . . . . . . . 3.2 tt -155.36 133.98 7.28 Favored Pre-proline 0 CA--C 1.552 1.044 0 C-N-CA 124.656 1.182 . . . . 10.0 110.491 178.364 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1929 ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -69.93 142.28 46.78 Favored 'Trans proline' 0 C--N 1.35 0.629 0 C-N-CA 121.936 1.757 . . . . 10.0 112.726 -173.299 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1930 ' ' GLY . . . . . . . . . . . . . . . 167.98 178.02 39.63 Favored Glycine 0 CA--C 1.535 1.337 0 N-CA-C 116.441 1.337 . . . . 10.0 116.441 -173.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1931 ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -81.24 85.01 6.44 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.613 1.965 . . . . 10.0 110.431 173.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1932 ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -72.06 98.39 2.08 Favored 'General case' 0 C--O 1.241 0.631 0 C-N-CA 124.516 1.126 . . . . 10.0 110.899 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1933 ' ' SER . . . . . . . . . . . . . 74.9 m -75.91 105.15 6.79 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.071 1.348 . . . . 10.0 111.47 176.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1934 ' ' ILE . . . . . . . . . . . . . 2.3 mm -76.3 105.97 5.72 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.692 0 C-N-CA 122.956 0.503 . . . . 10.0 109.78 173.059 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1935 ' ' LEU . . . . . . . . . . . . . 4.4 mm? -96.72 107.25 19.67 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.743 1.217 . . . . 10.0 109.907 179.108 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1936 ' ' VAL . . . . . . . . . . . . . 17.7 t -107.8 136.84 41.84 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.305 0 C-N-CA 123.294 0.637 . . . . 10.0 112.043 178.318 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1937 ' ' LYS . . . . . . . . . . . . . 97.3 mttt -126.59 149.61 49.35 Favored 'General case' 0 C--N 1.346 0.44 0 C-N-CA 126.826 2.05 . . . . 10.0 112.728 175.519 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1938 ' ' TYR . . . . . . . . . . . . . 69.1 t80 -139.69 108.2 5.87 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 126.815 2.046 . . . . 10.0 109.755 174.705 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1939 ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 52.25 72.25 0.41 Allowed 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 126.133 1.773 . . . . 10.0 113.759 -175.091 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1940 ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 63.01 3.3 1.21 Allowed 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 116.572 2.064 . . . . 10.0 116.572 171.124 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1941 ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -130.52 160.13 35.05 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 126.734 2.013 . . . . 10.0 111.814 170.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1942 ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -71.19 155.49 40.67 Favored 'General case' 0 CA--C 1.553 1.066 0 CA-C-O 122.137 0.97 . . . . 10.0 113.499 177.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1943 ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -71.63 164.72 55.63 Favored Pre-proline 0 CA--C 1.546 0.812 0 C-N-CA 125.094 1.357 . . . . 10.0 112.69 -176.075 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1944 ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -59.86 -7.92 6.87 Favored 'Trans proline' 0 CA--C 1.538 0.703 1 C-N-CA 126.0 4.467 . . . . 10.0 118.143 -170.4 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1945 ' ' GLY . . . . . . . . . . . . . . . -141.47 5.38 2.35 Favored Glycine 0 CA--C 1.537 1.436 0 C-N-CA 126.756 2.122 . . . . 10.0 115.085 -177.087 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1946 ' ' SER . . . . . . . . . . . . . 4.6 m -68.64 154.41 94.62 Favored Pre-proline 0 CA--C 1.564 1.514 0 CA-C-N 118.927 1.363 . . . . 10.0 113.42 -179.085 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1947 ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -74.17 162.08 93.09 Favored 'Cis proline' 0 CA--C 1.546 1.101 0 CA-C-N 118.676 0.563 . . . . 10.0 111.729 -15.509 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1948 ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -96.66 -16.99 20.67 Favored 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 114.534 1.309 . . . . 10.0 114.534 -179.133 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1949 ' ' THR . . . . . . . . . . . . . 13.4 m 39.09 83.17 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.592 0 C-N-CA 128.85 2.86 . . . . 10.0 115.843 171.236 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1950 ' ' ALA . . . . . . . . . . . . . . . -76.78 170.43 16.48 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 125.56 1.544 . . . . 10.0 111.843 170.114 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1951 ' ' ARG . . . . . . . . . . . . . 52.5 ttt85 -138.08 94.4 2.88 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 113.836 1.05 . . . . 10.0 113.836 171.498 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1952 ' ' VAL . . . . . 0.408 HG12 HG23 ' A' 1880 ' ' VAL . 2.7 t -60.27 134.01 25.66 Favored 'Isoleucine or valine' 0 C--O 1.24 0.562 0 C-N-CA 128.223 2.609 . . . . 10.0 112.586 171.322 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1953 ' ' THR . . . . . . . . . . . . . 15.4 t -119.66 150.82 39.72 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 125.613 1.565 . . . . 10.0 111.523 175.618 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1954 ' ' GLY . . . . . . . . . . . . . . . -86.49 116.22 4.38 Favored Glycine 0 CA--C 1.538 1.491 0 C-N-CA 125.645 1.593 . . . . 10.0 115.595 -169.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1955 ' ' ASP . . . . . . . . . . . . . 35.5 t70 -74.08 -13.94 60.91 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 125.162 1.385 . . . . 10.0 114.224 173.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1956 ' ' ASP . . . . . . . . . . . . . 37.7 t70 . . . . . 0 C--O 1.253 1.26 0 C-N-CA 126.66 1.984 . . . . 10.0 113.611 177.027 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.697 0 N-CA-C 110.607 -0.997 . . . . 10.0 110.607 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' -3' ' ' ALA . . . . . . . . . . . . . . . -70.81 174.24 6.31 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 125.365 1.466 . . . . 10.0 114.014 179.557 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 61.0 mtt -130.38 168.63 16.64 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 126.651 1.98 . . . . 10.0 111.349 175.046 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' -1' ' ' VAL . . . . . . . . . . . . . 62.1 t -72.0 -42.94 68.23 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 C-N-CA 124.124 0.97 . . . . 10.0 110.819 176.626 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1863 ' ' VAL . . . . . . . . . . . . . 35.3 m -69.26 156.19 7.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 C-N-CA 123.728 0.811 . . . . 10.0 112.572 173.123 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1864 ' ' ASN . . . . . . . . . . . . . 10.4 p-10 -74.51 -21.54 59.5 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 114.231 1.196 . . . . 10.0 114.231 172.525 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1865 ' ' CYS . . . . . . . . . . . . . 63.9 m -73.3 168.65 18.73 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.348 1.459 . . . . 10.0 112.915 178.118 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1866 ' ' GLY . . . . . . . . . . . . . . . -119.82 12.54 10.83 Favored Glycine 0 CA--C 1.544 1.849 0 C-N-CA 126.566 2.031 . . . . 10.0 113.099 171.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1867 ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -87.16 -166.9 1.71 Allowed 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.563 1.545 . . . . 10.0 113.352 -169.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1868 ' ' VAL . . . . . . . . . . . . . 10.8 p -63.41 111.51 0.99 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 C-N-CA 126.17 1.788 . . . . 10.0 111.381 169.629 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1869 ' ' THR . . . . . . . . . . . . . 3.5 m -148.42 165.74 30.22 Favored 'General case' 0 C--N 1.319 -0.747 0 C-N-CA 128.019 2.528 . . . . 10.0 108.099 -175.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1870 ' ' ALA . . . . . . . . . . . . . . . -114.93 142.34 46.73 Favored 'General case' 0 CA--C 1.541 0.596 0 CA-C-N 118.905 0.775 . . . . 10.0 111.347 173.202 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1871 ' ' TYR . . . . . . . . . . . . . 33.1 p90 -156.84 168.7 26.66 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.554 1.542 . . . . 10.0 111.037 -178.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1872 ' ' GLY . . . . . . . . . . . . . . . 126.49 179.26 15.68 Favored Glycine 0 N--CA 1.481 1.677 0 O-C-N 120.703 -1.248 . . . . 10.0 114.007 172.368 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1873 ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -54.46 -46.0 36.72 Favored 'Trans proline' 0 CA--C 1.539 0.761 0 C-N-CA 124.334 3.356 . . . . 10.0 113.096 -177.158 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1874 ' ' GLY . . . . . . . . . . . . . . . -60.83 -19.64 56.02 Favored Glycine 0 CA--C 1.539 1.586 0 C-N-CA 125.602 1.573 . . . . 10.0 115.246 -174.669 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1875 ' ' LEU . . . . . . . . . . . . . 13.4 mt -90.4 -21.62 21.86 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 119.968 1.884 . . . . 10.0 113.286 171.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1876 ' ' THR . . . . . . . . . . . . . 86.3 m -80.8 -48.3 12.66 Favored 'General case' 0 N--CA 1.482 1.155 0 O-C-N 121.546 -0.721 . . . . 10.0 110.663 174.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1877 ' ' HIS . . . . . . . . . . . . . 5.1 p80 -148.14 164.14 34.81 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 125.436 1.494 . . . . 10.0 111.048 178.314 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1878 ' ' GLY . . . . . . . . . . . . . . . -129.06 174.62 19.12 Favored Glycine 0 CA--C 1.534 1.234 0 C-N-CA 126.414 1.959 . . . . 10.0 112.902 178.148 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1879 ' ' VAL . . . . . . . . . . . . . 8.0 p -136.31 137.89 47.6 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 124.945 1.298 . . . . 10.0 111.029 169.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1880 ' ' VAL . . . . . 0.508 HG23 HG12 ' A' 1952 ' ' VAL . 54.1 t -84.47 141.03 15.22 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.315 0 C-N-CA 126.378 1.871 . . . . 10.0 112.382 -171.163 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1881 ' ' ASN . . . . . . . . . . . . . 70.6 m-80 53.38 18.6 1.36 Allowed 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 126.588 1.955 . . . . 10.0 116.075 -177.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1882 ' ' LYS . . . . . 0.408 ' HA ' ' HD3' ' A' 1883 ' ' PRO . 20.1 tptm -136.31 143.21 42.66 Favored Pre-proline 0 N--CA 1.485 1.276 0 C-N-CA 125.553 1.541 . . . . 10.0 109.75 170.49 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1883 ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' 1882 ' ' LYS . 75.9 Cg_exo -56.63 134.56 65.18 Favored 'Trans proline' 0 C--O 1.243 0.747 0 C-N-CA 123.932 3.088 . . . . 10.0 112.08 -177.033 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1884 ' ' ALA . . . . . . . . . . . . . . . -120.69 161.25 21.73 Favored 'General case' 0 C--O 1.243 0.738 0 C-N-CA 125.271 1.428 . . . . 10.0 109.854 174.676 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1885 ' ' THR . . . . . . . . . . . . . 29.5 p -148.23 153.34 38.6 Favored 'General case' 0 N--CA 1.485 1.322 0 N-CA-C 114.338 1.236 . . . . 10.0 114.338 -169.083 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1886 ' ' PHE . . . . . . . . . . . . . 45.5 p90 -148.21 168.35 22.71 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.189 0.996 . . . . 10.0 111.249 168.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1887 ' ' THR . . . . . . . . . . . . . 95.5 m -104.23 141.26 36.59 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 124.604 1.162 . . . . 10.0 111.44 -173.375 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1888 ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -126.57 148.12 31.36 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 C-N-CA 125.942 1.697 . . . . 10.0 107.335 169.054 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1889 ' ' ASN . . . . . . . . . . . . . 42.4 t30 -122.79 63.11 0.98 Allowed 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 113.741 -1.572 . . . . 10.0 113.256 -165.255 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1890 ' ' THR . . . . . . . . . . . . . 22.1 p -68.67 1.62 3.08 Favored 'General case' 0 N--CA 1.478 0.933 0 N-CA-C 115.054 1.502 . . . . 10.0 115.054 175.333 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1891 ' ' LYS . . . . . . . . . . . . . 74.8 mttt -50.05 -51.05 45.47 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 127.542 2.337 . . . . 10.0 112.489 176.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 32.8 t70 -78.14 -28.07 48.34 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.185 1.394 . . . . 10.0 114.099 179.582 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1893 ' ' ALA . . . . . . . . . . . . . . . -69.09 -31.84 70.85 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.214 1.406 . . . . 10.0 112.415 172.503 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . 90.81 -9.87 76.47 Favored Glycine 0 CA--C 1.542 1.776 0 C-N-CA 125.753 1.644 . . . . 10.0 114.724 173.554 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1895 ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -151.93 155.2 37.58 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 118.793 1.296 . . . . 10.0 110.873 176.503 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1896 ' ' GLY . . . . . . . . . . . . . . . -72.48 47.38 1.14 Allowed Glycine 0 CA--C 1.552 2.387 0 C-N-CA 126.232 1.872 . . . . 10.0 115.017 173.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1897 ' ' GLY . . . . . . . . . . . . . . . -91.22 4.65 80.91 Favored Glycine 0 CA--C 1.542 1.757 0 C-N-CA 126.693 2.092 . . . . 10.0 115.932 -175.06 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1898 ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.92 169.07 13.94 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 118.85 1.325 . . . . 10.0 113.124 179.071 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1899 ' ' SER . . . . . . . . . . . . . 74.5 m -141.58 148.37 39.18 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.642 0.777 . . . . 10.0 109.83 175.355 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1900 ' ' LEU . . . . . . . . . . . . . 4.0 pp -153.2 172.33 17.12 Favored 'General case' 0 C--O 1.237 0.405 0 O-C-N 120.793 -1.192 . . . . 10.0 114.212 170.167 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1901 ' ' ALA . . . . . . . . . . . . . . . -143.31 164.6 29.78 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 125.402 1.481 . . . . 10.0 111.274 168.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1902 ' ' ILE . . . . . . . . . . . . . 2.2 mp -121.11 116.8 50.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 124.907 1.283 . . . . 10.0 108.939 170.343 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1903 ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -100.09 175.45 5.74 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 126.963 2.105 . . . . 10.0 110.426 170.244 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1904 ' ' GLY . . . . . . . . . . . . . . . 155.85 -165.63 32.68 Favored Glycine 0 CA--C 1.535 1.329 0 C-N-CA 124.155 0.884 . . . . 10.0 113.639 -170.066 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1905 ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -73.63 -19.99 20.83 Favored 'Trans proline' 0 CA--C 1.556 1.588 0 C-N-CA 124.131 3.221 . . . . 10.0 110.614 170.396 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1906 ' ' SER . . . . . . . . . . . . . 9.0 t -151.57 -178.68 6.83 Favored 'General case' 0 C--O 1.239 0.536 0 C-N-CA 128.124 2.57 . . . . 10.0 110.544 -166.724 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1907 ' ' LYS . . . . . . . . . . . . . 68.6 mttm -103.77 167.86 9.51 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 126.568 1.947 . . . . 10.0 113.099 -174.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1908 ' ' ALA . . . . . 0.48 ' HB1' ' H ' ' A' 1925 ' ' LEU . . . -143.0 159.16 42.77 Favored 'General case' 0 CA--C 1.557 1.235 0 C-N-CA 125.017 1.327 . . . . 10.0 111.687 175.311 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1909 ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -87.8 83.7 7.11 Favored 'General case' 0 N--CA 1.48 1.033 0 O-C-N 120.852 -1.155 . . . . 10.0 111.718 176.487 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1910 ' ' ILE . . . . . . . . . . . . . 15.3 mt -69.11 133.1 32.42 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.334 0 O-C-N 121.145 -0.972 . . . . 10.0 110.779 -178.297 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1911 ' ' SER . . . . . . . . . . . . . 7.4 t -146.6 170.63 16.52 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.633 1.573 . . . . 10.0 112.138 168.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1912 ' ' CYS . . . . . . . . . . . . . 27.4 p -138.17 160.24 39.93 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 125.85 1.66 . . . . 10.0 113.135 177.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1913 ' ' THR . . . . . . . . . . . . . 30.9 m -146.92 113.6 6.04 Favored 'General case' 0 N--CA 1.47 0.534 0 O-C-N 121.85 -0.531 . . . . 10.0 110.408 -171.609 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1914 ' ' ASP . . . . . . . . . . . . . 32.7 t70 -69.85 132.58 46.25 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.212 1.405 . . . . 10.0 109.247 167.668 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1915 ' ' ASN . . . . . . . . . . . . . 71.5 m-80 -130.97 167.06 19.65 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 125.069 1.347 . . . . 10.0 112.513 -176.241 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1916 ' ' GLN . . . . . . . . . . . . . 43.4 tt0 -59.74 -30.34 68.76 Favored 'General case' 0 CA--C 1.557 1.243 0 C-N-CA 125.285 1.434 . . . . 10.0 113.399 174.209 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1917 ' ' ASP . . . . . . . . . . . . . 35.0 t70 -75.34 -14.82 60.51 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.846 1.258 . . . . 10.0 111.893 178.317 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1918 ' ' GLY . . . . . . . . . . . . . . . 95.32 2.03 62.22 Favored Glycine 0 CA--C 1.547 2.036 0 C-N-CA 125.834 1.683 . . . . 10.0 115.022 174.355 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1919 ' ' THR . . . . . . . . . . . . . 81.1 p -70.12 166.03 20.75 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 125.916 1.686 . . . . 10.0 112.6 174.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1920 ' ' CYS . . . . . . . . . . . . . 1.1 t -106.26 6.82 31.02 Favored 'General case' 0 CA--C 1.558 1.263 0 C-N-CA 124.999 1.32 . . . . 10.0 112.689 170.038 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1921 ' ' SER . . . . . . . . . . . . . 7.1 t 14.57 92.86 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.233 1 C-N-CA 132.726 4.41 . . . . 10.0 115.993 175.613 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1922 ' ' VAL . . . . . . . . . . . . . 41.0 t -88.84 136.2 23.96 Favored 'Isoleucine or valine' 0 C--O 1.243 0.759 0 CA-C-O 122.467 1.127 . . . . 10.0 111.097 -176.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1923 ' ' SER . . . . . . . . . . . . . 62.8 p -116.17 154.69 29.59 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 126.635 1.974 . . . . 10.0 111.418 172.189 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1924 ' ' TYR . . . . . . . . . . . . . 14.1 p90 -148.92 169.28 20.92 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 126.915 2.086 . . . . 10.0 110.53 176.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1925 ' ' LEU . . . . . 0.48 ' H ' ' HB1' ' A' 1908 ' ' ALA . 0.3 OUTLIER -151.2 82.7 5.75 Favored Pre-proline 0 CA--C 1.56 1.335 0 O-C-N 120.671 -1.268 . . . . 10.0 110.216 -171.695 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A 1926 ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -73.12 122.99 8.5 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 123.737 2.958 . . . . 10.0 111.203 -176.276 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1927 ' ' VAL . . . . . . . . . . . . . 27.1 m -78.38 -14.65 13.88 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.146 0 O-C-N 121.026 -1.047 . . . . 10.0 113.736 -177.546 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1928 ' ' LEU . . . . . . . . . . . . . 20.0 mt -145.58 160.65 43.95 Favored Pre-proline 0 CA--C 1.539 0.54 0 C-N-CA 125.485 1.514 . . . . 10.0 112.074 177.437 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1929 ' ' PRO . . . . . . . . . . . . . 27.5 Cg_exo -58.98 154.42 44.98 Favored 'Trans proline' 0 C--N 1.354 0.824 0 C-N-CA 123.224 2.616 . . . . 10.0 113.36 172.117 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1930 ' ' GLY . . . . . . . . . . . . . . . 165.43 178.09 38.27 Favored Glycine 0 CA--C 1.534 1.276 0 N-CA-C 117.074 1.59 . . . . 10.0 117.074 176.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1931 ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -99.61 93.12 5.68 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 124.858 1.263 . . . . 10.0 108.54 171.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1932 ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -93.3 106.09 18.09 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.48 1.112 . . . . 10.0 111.677 -170.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1933 ' ' SER . . . . . . . . . . . . . 75.7 m -73.66 106.72 5.54 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.299 1.04 . . . . 10.0 111.02 179.037 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1934 ' ' ILE . . . . . . . . . . . . . 3.2 mm -79.05 119.4 28.23 Favored 'Isoleucine or valine' 0 C--O 1.244 0.81 0 N-CA-C 107.986 -1.116 . . . . 10.0 107.986 169.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1935 ' ' LEU . . . . . . . . . . . . . 4.5 mm? -107.87 90.82 3.42 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 126.36 1.864 . . . . 10.0 108.529 -178.163 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1936 ' ' VAL . . . . . . . . . . . . . 15.2 t -93.64 139.45 18.25 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.331 0 C-N-CA 124.571 1.148 . . . . 10.0 110.18 -179.321 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1937 ' ' LYS . . . . . . . . . . . . . 99.0 mttt -131.0 153.34 49.34 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 127.583 2.353 . . . . 10.0 113.087 179.52 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1938 ' ' TYR . . . . . . . . . . . . . 7.1 t80 -143.32 120.89 11.75 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 124.321 1.048 . . . . 10.0 109.36 165.173 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1939 ' ' ASN . . . . . . . . . . . . . 6.8 t30 48.26 78.81 0.08 Allowed 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 127.713 2.405 . . . . 10.0 112.976 -172.547 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1940 ' ' GLU . . . . . . . . . . . . 0.306 10.1 pt-20 52.64 8.99 0.1 Allowed 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 129.438 3.095 . . . . 10.0 118.773 173.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1941 ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -132.82 159.37 40.0 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.115 1.366 . . . . 10.0 112.373 169.587 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1942 ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -69.66 155.69 40.12 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-O 121.914 0.864 . . . . 10.0 112.812 176.326 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1943 ' ' VAL . . . . . 0.411 HG13 ' H ' ' A' 1945 ' ' GLY . 0.5 OUTLIER -75.45 165.54 52.75 Favored Pre-proline 0 CA--C 1.545 0.758 0 CA-C-N 114.739 -1.119 . . . . 10.0 112.801 -179.832 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A 1944 ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -63.9 -26.13 67.08 Favored 'Trans proline' 0 CA--C 1.533 0.449 0 C-N-CA 125.193 3.929 . . . . 10.0 116.167 -174.605 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1945 ' ' GLY . . . . . 0.411 ' H ' HG13 ' A' 1943 ' ' VAL . . . -95.95 -15.99 40.27 Favored Glycine 0 CA--C 1.542 1.733 0 C-N-CA 125.671 1.605 . . . . 10.0 114.166 179.753 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1946 ' ' SER . . . . . . . . . . . . . 38.6 m -72.08 152.49 92.7 Favored Pre-proline 0 C--O 1.245 0.851 0 C-N-CA 126.053 1.741 . . . . 10.0 112.921 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1947 ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -73.19 157.28 99.22 Favored 'Cis proline' 0 C--N 1.356 0.959 0 CA-C-N 119.152 0.733 . . . . 10.0 112.668 -14.408 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1948 ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -101.72 -15.01 17.12 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 115.629 1.715 . . . . 10.0 115.629 -170.548 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1949 ' ' THR . . . . . . . . . . . . . 15.5 m 27.73 80.37 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.605 0 C-N-CA 128.895 2.878 . . . . 10.0 114.935 -177.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1950 ' ' ALA . . . . . . . . . . . . . . . -72.54 162.23 29.75 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.706 1.202 . . . . 10.0 112.79 179.236 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1951 ' ' ARG . . . . . . . . . . . . . 18.2 ttt-85 -127.64 85.63 2.38 Favored 'General case' 0 N--CA 1.481 1.089 0 CA-C-O 123.328 1.537 . . . . 10.0 113.532 -174.517 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1952 ' ' VAL . . . . . 0.508 HG12 HG23 ' A' 1880 ' ' VAL . 2.9 t -70.19 109.6 2.85 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 C-N-CA 127.795 2.438 . . . . 10.0 112.209 179.375 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1953 ' ' THR . . . . . . . . . . . . . 93.9 m -78.94 133.39 36.91 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.518 1.527 . . . . 10.0 111.747 174.609 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1954 ' ' GLY . . . . . . . . . . . . . . . -78.16 76.52 1.78 Allowed Glycine 0 CA--C 1.528 0.88 0 C-N-CA 125.335 1.445 . . . . 10.0 112.282 174.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1955 ' ' ASP . . . . . . . . . . . . . 27.7 t70 -77.48 -25.54 50.55 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 113.357 0.873 . . . . 10.0 113.357 178.143 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1956 ' ' ASP . . . . . . . . . . . . . 33.9 t70 . . . . . 0 C--O 1.261 1.705 0 C-N-CA 126.987 2.115 . . . . 10.0 114.602 177.133 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.414 0 N-CA-C 111.441 -0.664 . . . . 10.0 111.441 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' -3' ' ' ALA . . . . . . . . . . . . . . . -142.31 170.2 16.15 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 125.983 1.713 . . . . 10.0 111.764 176.628 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 76.4 mtm -64.54 -8.39 13.75 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 114.496 1.295 . . . . 10.0 114.496 -178.527 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' -1' ' ' VAL . . . . . . . . . . . . . 50.2 t -61.79 -25.91 38.35 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 126.961 2.104 . . . . 10.0 112.874 179.239 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1863 ' ' VAL . . . . . . . . . . . . . 13.6 p -127.44 141.64 45.78 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 125.835 1.654 . . . . 10.0 110.897 -179.621 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1864 ' ' ASN . . . . . . . . . . . . . 64.3 m-80 -140.92 170.33 15.93 Favored 'General case' 0 CA--C 1.555 1.156 0 C-N-CA 125.484 1.514 . . . . 10.0 111.068 -171.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1865 ' ' CYS . . . . . . . . . . . . . 74.8 m -84.6 -4.19 58.86 Favored 'General case' 0 N--CA 1.486 1.351 0 N-CA-C 115.007 1.484 . . . . 10.0 115.007 -176.648 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1866 ' ' GLY . . . . . . . . . . . . . . . 88.45 176.9 47.2 Favored Glycine 0 N--CA 1.477 1.394 0 C-N-CA 124.946 1.26 . . . . 10.0 115.305 174.248 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1867 ' ' HIS . . . . . . . . . . . . . 29.6 t-80 -150.98 175.4 12.11 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 126.547 1.939 . . . . 10.0 112.236 -176.103 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1868 ' ' VAL . . . . . . . . . . . . . 6.4 p -63.79 137.79 24.14 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.316 0 O-C-N 120.246 -1.534 . . . . 10.0 110.863 167.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1869 ' ' THR . . . . . . . . . . . . . 42.4 p -144.29 172.52 12.81 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 125.326 1.451 . . . . 10.0 111.163 -178.193 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1870 ' ' ALA . . . . . . . . . . . . . . . -130.29 120.56 24.58 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.383 1.073 . . . . 10.0 109.562 170.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1871 ' ' TYR . . . . . . . . . . . . . 48.0 p90 -148.29 156.46 42.56 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 125.081 1.352 . . . . 10.0 112.423 -177.524 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1872 ' ' GLY . . . . . . . . . . . . . . . 136.38 175.46 13.82 Favored Glycine 0 CA--C 1.54 1.625 0 C-N-CA 125.547 1.546 . . . . 10.0 114.498 174.117 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1873 ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -65.4 -27.48 54.88 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 123.65 2.9 . . . . 10.0 113.22 -177.068 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1874 ' ' GLY . . . . . . . . . . . . . . . -69.22 -4.47 43.57 Favored Glycine 0 CA--C 1.549 2.169 0 N-CA-C 115.633 1.013 . . . . 10.0 115.633 177.124 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1875 ' ' LEU . . . . . . . . . . . . . 18.5 mt -103.43 -7.1 21.23 Favored 'General case' 0 CA--C 1.556 1.19 0 CA-C-N 119.742 1.771 . . . . 10.0 113.036 171.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1876 ' ' THR . . . . . . . . . . . . . 68.7 p -111.86 -41.12 4.08 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.267 1.027 . . . . 10.0 112.208 -176.487 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1877 ' ' HIS . . . . . . . . . . . . . 43.3 p-80 -143.27 -176.94 5.13 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 126.931 2.092 . . . . 10.0 112.042 178.498 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1878 ' ' GLY . . . . . . . . . . . . . . . -154.16 169.68 32.64 Favored Glycine 0 CA--C 1.537 1.468 0 C-N-CA 124.063 0.839 . . . . 10.0 113.468 170.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1879 ' ' VAL . . . . . . . . . . . . . 6.2 t -120.59 104.74 15.8 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.36 0 C-N-CA 125.692 1.597 . . . . 10.0 108.841 -178.072 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1880 ' ' VAL . . . . . . . . . . . . . 72.8 t -57.18 122.1 5.88 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 C-N-CA 123.632 0.773 . . . . 10.0 112.093 -178.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1881 ' ' ASN . . . . . . . . . . . . 0.253 64.7 m-80 67.78 11.23 8.27 Favored 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 127.826 2.45 . . . . 10.0 116.478 -177.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1882 ' ' LYS . . . . . . . . . . . . . 47.7 mtmt -128.74 151.58 77.4 Favored Pre-proline 0 CA--C 1.541 0.596 0 C-N-CA 124.576 1.151 . . . . 10.0 112.413 167.523 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1883 ' ' PRO . . . . . . . . . . . . . 39.8 Cg_exo -64.15 153.43 76.36 Favored 'Trans proline' 0 CA--C 1.544 0.977 0 C-N-CA 123.566 2.844 . . . . 10.0 111.698 -166.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1884 ' ' ALA . . . . . . . . . . . . . . . -141.75 156.75 45.58 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.458 1.103 . . . . 10.0 111.213 175.049 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1885 ' ' THR . . . . . . . . . . . . . 46.1 p -146.81 159.56 43.36 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.923 1.289 . . . . 10.0 112.521 -171.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1886 ' ' PHE . . . . . . . . . . . . . 48.5 p90 -150.23 172.3 15.56 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 125.611 1.564 . . . . 10.0 110.369 168.127 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1887 ' ' THR . . . . . . . . . . . . . 58.6 m -118.43 133.54 55.79 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 124.879 1.272 . . . . 10.0 110.865 -175.113 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1888 ' ' VAL . . . . . . . . . . . . . 1.5 m -126.3 82.3 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 CA-C-O 125.32 2.485 . . . . 10.0 108.098 171.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1889 ' ' ASN . . . . . . . . . . . . . 57.3 t30 -62.4 75.09 0.02 OUTLIER 'General case' 0 C--N 1.312 -1.037 0 C-N-CA 129.145 2.978 . . . . 10.0 113.024 177.307 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1890 ' ' THR . . . . . . . . . . . . . 16.8 p -76.03 35.23 0.13 Allowed 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 127.405 2.282 . . . . 10.0 113.544 174.423 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1891 ' ' LYS . . . . . . . . . . . . . 19.3 ptmt -30.13 -56.4 0.18 Allowed 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 130.438 3.495 . . . . 10.0 115.474 -170.373 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -125.82 4.02 7.39 Favored 'General case' 0 CA--C 1.555 1.155 0 C-N-CA 126.963 2.105 . . . . 10.0 113.228 172.03 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1893 ' ' ALA . . . . . . . . . . . . . . . -76.16 -4.19 40.31 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 129.051 2.941 . . . . 10.0 113.74 173.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -73.44 6.64 15.33 Favored Glycine 0 N--CA 1.475 1.281 0 C-N-CA 126.348 1.928 . . . . 10.0 115.404 -171.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1895 ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -69.32 -5.63 24.47 Favored 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 116.177 1.918 . . . . 10.0 116.177 -177.131 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1896 ' ' GLY . . . . . . . . . . . . . . . -154.83 -20.95 0.04 OUTLIER Glycine 0 N--CA 1.475 1.294 0 CA-C-O 118.327 -1.263 . . . . 10.0 114.547 172.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1897 ' ' GLY . . . . . . . . . . . . . . . 85.19 150.22 12.6 Favored Glycine 0 CA--C 1.532 1.134 0 C-N-CA 125.725 1.631 . . . . 10.0 114.065 178.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1898 ' ' LEU . . . . . . . . . . . . . 1.6 pp -89.87 -175.02 4.48 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 114.19 1.182 . . . . 10.0 114.19 176.015 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1899 ' ' SER . . . . . . . . . . . . . 23.7 t -147.23 149.67 33.37 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 125.593 1.557 . . . . 10.0 110.097 170.464 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1900 ' ' LEU . . . . . . . . . . . . . 4.4 pp -153.17 167.79 28.13 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.909 1.684 . . . . 10.0 111.611 171.194 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1901 ' ' ALA . . . . . . . . . . . . . . . -144.0 169.19 18.3 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.929 0.892 . . . . 10.0 112.102 169.154 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1902 ' ' ILE . . . . . . . . . . . . . 3.5 mp -121.63 135.01 63.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 C-N-CA 124.44 1.096 . . . . 10.0 108.877 173.495 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1903 ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -129.05 176.11 8.16 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 128.418 2.687 . . . . 10.0 111.374 176.094 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1904 ' ' GLY . . . . . . . . . . . . . . . 160.15 -154.5 25.54 Favored Glycine 0 CA--C 1.538 1.495 0 C-N-CA 124.001 0.81 . . . . 10.0 113.076 -178.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1905 ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -72.14 -13.34 28.5 Favored 'Trans proline' 0 CA--C 1.547 1.128 0 C-N-CA 122.17 1.913 . . . . 10.0 111.949 168.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1906 ' ' SER . . . . . . . . . . . . . 23.2 t -151.35 -174.25 4.76 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 128.733 2.813 . . . . 10.0 110.03 -168.344 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1907 ' ' LYS . . . . . . . . . . . . . 34.2 tptt -129.92 166.08 20.75 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 126.031 1.733 . . . . 10.0 111.983 -174.608 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1908 ' ' ALA . . . . . . . . . . . . . . . -135.75 159.64 41.03 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 127.156 2.182 . . . . 10.0 112.972 -177.384 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1909 ' ' GLU . . . . . . . . . . . . . 72.8 tt0 -85.0 78.55 9.89 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 124.371 1.068 . . . . 10.0 111.465 178.232 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1910 ' ' ILE . . . . . . . . . . . . . 20.0 mt -69.16 130.12 33.95 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 C-N-CA 125.156 1.382 . . . . 10.0 110.708 -178.682 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1911 ' ' SER . . . . . . . . . . . . . 11.0 t -146.63 152.36 38.76 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 123.418 0.687 . . . . 10.0 111.457 172.55 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1912 ' ' CYS . . . . . . . . . . . . . 60.0 m -125.51 154.49 42.03 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 124.034 0.934 . . . . 10.0 112.483 -171.316 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1913 ' ' THR . . . . . . . . . . . . . 62.0 m -131.3 143.5 50.58 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.106 0.962 . . . . 10.0 111.345 -176.371 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1914 ' ' ASP . . . . . . . . . . . . . 14.8 t0 -144.34 95.3 2.69 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 126.087 1.755 . . . . 10.0 111.089 178.183 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1915 ' ' ASN . . . . . . . . . . . . . 26.2 m120 -133.65 -155.14 0.65 Allowed 'General case' 0 CA--C 1.554 1.109 0 C-N-CA 126.85 2.06 . . . . 10.0 110.563 178.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1916 ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -45.37 -35.65 3.74 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 127.651 2.38 . . . . 10.0 115.5 -170.405 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1917 ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -75.88 -14.43 60.27 Favored 'General case' 0 CA--C 1.547 0.827 0 O-C-N 120.16 -1.588 . . . . 10.0 113.786 -178.587 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1918 ' ' GLY . . . . . . . . . . . . . . . 71.55 4.3 56.97 Favored Glycine 0 CA--C 1.537 1.419 0 C-N-CA 124.4 1.0 . . . . 10.0 115.596 174.546 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1919 ' ' THR . . . . . . . . . . . . . 65.0 p -71.45 175.05 5.81 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 126.231 1.812 . . . . 10.0 112.821 179.17 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1920 ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -106.26 22.51 15.62 Favored 'General case' 0 CA--C 1.549 0.922 0 O-C-N 121.463 -0.773 . . . . 10.0 111.634 171.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1921 ' ' SER . . . . . . . . . . . . . 21.6 m -40.94 133.65 2.11 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 128.24 2.616 . . . . 10.0 114.454 -168.693 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1922 ' ' VAL . . . . . . . . . . . . . 28.7 t -123.14 132.79 70.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 124.424 1.09 . . . . 10.0 110.353 -171.318 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1923 ' ' SER . . . . . . . . . . . . . 23.1 t -110.35 151.77 27.03 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 126.173 1.789 . . . . 10.0 110.529 169.534 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1924 ' ' TYR . . . . . . . . . . . . . 15.7 p90 -150.92 170.85 18.32 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 124.568 1.147 . . . . 10.0 111.367 174.559 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1925 ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -149.34 97.22 3.58 Favored Pre-proline 0 CA--C 1.538 0.51 0 C-N-CA 124.8 1.24 . . . . 10.0 108.84 -174.715 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1926 ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -72.82 150.43 49.71 Favored 'Trans proline' 0 CA--C 1.533 0.437 0 C-N-CA 123.497 2.798 . . . . 10.0 112.196 177.253 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1927 ' ' VAL . . . . . . . . . . . . . 33.3 m -116.08 -7.23 12.08 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.212 0 N-CA-C 114.889 1.44 . . . . 10.0 114.889 -178.055 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1928 ' ' LEU . . . . . . . . . . . . . 1.8 tt -148.16 143.59 17.76 Favored Pre-proline 0 N--CA 1.474 0.758 0 C-N-CA 125.278 1.431 . . . . 10.0 110.138 -178.35 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1929 ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -57.79 152.3 50.62 Favored 'Trans proline' 0 CA--C 1.541 0.845 0 C-N-CA 124.482 3.454 . . . . 10.0 113.825 177.587 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1930 ' ' GLY . . . . . . . . . . . . . . . 168.7 -178.78 41.95 Favored Glycine 0 N--CA 1.47 0.902 0 N-CA-C 116.218 1.247 . . . . 10.0 116.218 172.273 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1931 ' ' ASP . . . . . . . . . . . . . 17.9 p-10 -102.96 73.41 1.25 Allowed 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 127.097 2.159 . . . . 10.0 109.594 172.428 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1932 ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -66.32 158.07 30.07 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.084 1.354 . . . . 10.0 111.612 -175.399 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1933 ' ' SER . . . . . . . . . . . . . 31.9 t -120.01 117.15 27.27 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 126.553 1.941 . . . . 10.0 110.974 179.47 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1934 ' ' ILE . . . . . . . . . . . . . 3.5 mm -87.92 108.74 18.82 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 C-N-CA 123.638 0.775 . . . . 10.0 109.354 170.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1935 ' ' LEU . . . . . . . . . . . . . 2.8 mm? -86.99 87.89 7.57 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.357 1.463 . . . . 10.0 108.345 175.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1936 ' ' VAL . . . . . . . . . . . . . 19.1 t -90.08 139.72 17.07 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 CA-C-N 119.479 1.036 . . . . 10.0 110.72 177.211 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1937 ' ' LYS . . . . . . . . . . . . . 62.3 mttm -125.47 168.39 13.68 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 125.511 1.524 . . . . 10.0 111.821 170.545 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1938 ' ' TYR . . . . . . . . . . . . . 82.4 t80 -134.83 128.97 33.77 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.119 0.967 . . . . 10.0 109.745 163.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1939 ' ' ASN . . . . . . . . . . . . . 19.1 t-20 60.49 -59.97 0.07 Allowed 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 129.153 2.981 . . . . 10.0 114.217 -171.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1940 ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -152.32 -10.61 0.18 Allowed 'General case' 0 CA--C 1.555 1.137 0 N-CA-C 116.33 1.974 . . . . 10.0 116.33 -179.399 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1941 ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -137.02 159.37 42.08 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 125.371 1.469 . . . . 10.0 112.016 -173.162 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1942 ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -63.4 147.01 52.38 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 113.496 0.924 . . . . 10.0 113.496 -169.434 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1943 ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -67.18 161.58 62.44 Favored Pre-proline 0 CA--C 1.549 0.939 0 C-N-CA 126.201 1.8 . . . . 10.0 113.358 -177.441 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1944 ' ' PRO . . . . . . . . . . . . . 41.0 Cg_exo -59.24 -11.41 13.09 Favored 'Trans proline' 0 CA--C 1.537 0.634 0 C-N-CA 125.227 3.952 . . . . 10.0 118.016 -170.091 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1945 ' ' GLY . . . . . . . . . . . . . . . -132.2 1.66 4.97 Favored Glycine 0 CA--C 1.529 0.96 0 C-N-CA 128.34 2.876 . . . . 10.0 115.999 177.608 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1946 ' ' SER . . . . . . . . . . . . . 3.5 m -66.13 152.88 93.2 Favored Pre-proline 0 C--O 1.243 0.728 0 CA-C-N 119.779 1.79 . . . . 10.0 112.818 177.175 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1947 ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -78.69 168.34 75.29 Favored 'Cis proline' 0 CA--C 1.555 1.568 0 CA-C-N 119.355 0.805 . . . . 10.0 112.337 -5.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1948 ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -116.65 112.22 20.96 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 125.004 1.322 . . . . 10.0 111.138 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1949 ' ' THR . . . . . . . . . . . . . 57.5 m -73.97 110.14 8.02 Favored 'General case' 0 N--CA 1.49 1.575 0 C-N-CA 125.839 1.656 . . . . 10.0 111.635 173.466 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1950 ' ' ALA . . . . . . . . . . . . . . . -112.08 118.46 35.46 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.793 1.237 . . . . 10.0 112.408 179.561 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1951 ' ' ARG . . . . . . . . . . . . . 11.0 ttm180 -80.84 78.89 7.58 Favored 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 114.425 1.268 . . . . 10.0 114.425 -176.66 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1952 ' ' VAL . . . . . . . . . . . . . 46.6 t -56.7 94.97 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 C-N-CA 128.192 2.597 . . . . 10.0 110.9 168.416 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1953 ' ' THR . . . . . . . . . . . . . 61.5 m -89.18 133.02 34.58 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.253 1.021 . . . . 10.0 112.467 -168.569 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1954 ' ' GLY . . . . . . . . . . . . . . . -82.89 92.41 1.63 Allowed Glycine 0 N--CA 1.468 0.817 0 C-N-CA 126.387 1.946 . . . . 10.0 111.968 176.237 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1955 ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -68.59 -21.88 64.49 Favored 'General case' 0 N--CA 1.483 1.201 0 N-CA-C 113.845 1.054 . . . . 10.0 113.845 -176.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1956 ' ' ASP . . . . . . . . . . . . . 28.6 t70 . . . . . 0 C--O 1.254 1.306 0 C-N-CA 128.833 2.853 . . . . 10.0 111.975 173.009 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.445 0 N-CA-C 111.358 -0.697 . . . . 10.0 111.358 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' -3' ' ' ALA . . . . . . . . . . . . . . . -145.73 175.84 10.09 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 125.253 1.421 . . . . 10.0 111.421 177.491 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 63.2 mtt -134.17 164.74 26.67 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 125.643 1.577 . . . . 10.0 111.742 -179.339 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' -1' ' ' VAL . . . . . . . . . . . . . 21.2 t -113.85 -13.03 11.58 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 C-N-CA 125.321 1.448 . . . . 10.0 112.489 -177.479 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1863 ' ' VAL . . . . . . . . . . . . . 9.0 t 59.6 71.82 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 127.446 2.298 . . . . 10.0 110.108 -172.744 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1864 ' ' ASN . . . . . . . . . . . . . 22.8 t-20 36.02 -87.25 0.01 OUTLIER 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 129.848 3.259 . . . . 10.0 116.561 176.004 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1865 ' ' CYS . . . . . . . . . . . . . 27.8 p -64.32 -19.26 65.32 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.369 1.468 . . . . 10.0 114.64 178.205 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1866 ' ' GLY . . . . . . . . . . . . . . . 77.89 118.23 0.2 Allowed Glycine 0 CA--C 1.531 1.066 0 C-N-CA 125.303 1.43 . . . . 10.0 113.338 -179.363 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1867 ' ' HIS . . . . . . . . . . . . . 45.1 m170 -58.8 147.36 33.76 Favored 'General case' 0 C--O 1.241 0.622 0 CA-C-O 122.364 1.078 . . . . 10.0 111.829 172.145 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1868 ' ' VAL . . . . . . . . . . . . . 11.3 m -68.39 162.91 3.34 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.197 0 C-N-CA 124.299 1.04 . . . . 10.0 110.789 -179.426 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1869 ' ' THR . . . . . . . . . . . . . 16.7 p -139.28 166.27 24.99 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.19 1.396 . . . . 10.0 112.597 -176.714 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1870 ' ' ALA . . . . . . . . . . . . . . . -130.1 145.17 51.67 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 126.666 1.986 . . . . 10.0 111.211 177.131 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1871 ' ' TYR . . . . . . . . . . . . . 48.6 p90 -153.95 172.68 17.05 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 125.233 1.413 . . . . 10.0 111.737 -171.686 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1872 ' ' GLY . . . . . . . . . . . . . . . 111.18 170.05 19.06 Favored Glycine 0 N--CA 1.48 1.587 0 C-N-CA 125.591 1.567 . . . . 10.0 115.411 176.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1873 ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -71.47 -23.73 23.25 Favored 'Trans proline' 0 C--N 1.355 0.912 0 C-N-CA 123.778 2.985 . . . . 10.0 113.985 -172.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1874 ' ' GLY . . . . . . . . . . . . . . . -70.13 -6.29 56.49 Favored Glycine 0 CA--C 1.534 1.251 0 O-C-N 120.307 -1.496 . . . . 10.0 113.728 175.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1875 ' ' LEU . . . . . . . . . . . . . 42.7 mt -81.58 -17.11 49.44 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 119.332 1.566 . . . . 10.0 112.134 169.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1876 ' ' THR . . . . . . . . . . . . . 82.1 p -126.18 -19.09 4.81 Favored 'General case' 0 N--CA 1.485 1.308 0 N-CA-C 114.896 1.443 . . . . 10.0 114.896 -176.371 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1877 ' ' HIS . . . . . . . . . . . . . 43.8 t60 -130.88 175.36 9.12 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 125.663 1.585 . . . . 10.0 110.881 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1878 ' ' GLY . . . . . . . . . . . . . . . -167.32 169.13 40.88 Favored Glycine 0 CA--C 1.542 1.763 0 O-C-N 120.293 -1.504 . . . . 10.0 113.992 -179.185 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1879 ' ' VAL . . . . . . . . . . . . . 11.0 p -137.35 154.93 31.01 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.157 0 C-N-CA 127.247 2.219 . . . . 10.0 109.313 171.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1880 ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -121.49 149.87 24.64 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.215 0 N-CA-C 114.259 1.207 . . . . 10.0 114.259 -169.231 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1881 ' ' ASN . . . . . . . . . . . . . 52.2 m-80 61.27 0.25 0.41 Allowed 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 127.747 2.419 . . . . 10.0 114.258 -168.594 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1882 ' ' LYS . . . . . . . . . . . . . 48.5 mtmt -128.72 157.72 74.42 Favored Pre-proline 0 CA--C 1.543 0.684 0 C-N-CA 126.366 1.866 . . . . 10.0 109.935 167.351 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1883 ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -67.14 140.15 52.99 Favored 'Trans proline' 0 N--CA 1.447 -1.223 0 C-N-CA 124.624 3.549 . . . . 10.0 113.43 -168.155 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1884 ' ' ALA . . . . . . . . . . . . . . . -106.6 150.72 25.9 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-O 122.583 1.183 . . . . 10.0 110.27 168.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1885 ' ' THR . . . . . . . . . . . . . 49.1 p -147.92 161.09 42.02 Favored 'General case' 0 N--CA 1.474 0.766 0 O-C-N 120.813 -1.179 . . . . 10.0 112.119 -175.339 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1886 ' ' PHE . . . . . . . . . . . . . 51.1 p90 -150.78 177.53 10.0 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 127.284 2.234 . . . . 10.0 110.451 169.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1887 ' ' THR . . . . . . . . . . . . . 24.2 m -126.17 154.9 42.56 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 123.493 0.717 . . . . 10.0 111.067 -176.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1888 ' ' VAL . . . . . 0.735 ' CG2' ' H ' ' A' 1920 ' ' CYS . 15.8 m -133.43 -179.04 3.01 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 C-N-CA 126.164 1.786 . . . . 10.0 109.365 177.256 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1889 ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -137.02 63.94 1.55 Allowed 'General case' 0 C--O 1.244 0.8 0 CA-C-O 123.493 1.616 . . . . 10.0 110.641 168.337 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1890 ' ' THR . . . . . . . . . . . . . 17.6 p -80.24 66.84 5.88 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 128.315 2.646 . . . . 10.0 111.11 -176.521 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1891 ' ' LYS . . . . . . . . . . . . . 25.6 pttm -64.19 -26.88 68.72 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 116.985 2.216 . . . . 10.0 116.985 -169.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 29.8 t70 -137.62 9.12 2.87 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 126.184 1.794 . . . . 10.0 113.253 -178.142 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1893 ' ' ALA . . . . . . . . . . . . . . . -60.06 -22.64 62.96 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 117.773 2.509 . . . . 10.0 117.773 -169.453 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -58.61 -21.06 48.93 Favored Glycine 0 CA--C 1.543 1.828 0 C-N-CA 125.437 1.494 . . . . 10.0 113.968 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1895 ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -129.05 7.15 5.48 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 126.666 1.986 . . . . 10.0 112.661 174.644 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1896 ' ' GLY . . . . . . . . . . . . . . . -103.11 -25.26 7.56 Favored Glycine 0 N--CA 1.482 1.706 0 C-N-CA 127.151 2.31 . . . . 10.0 116.628 -176.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1897 ' ' GLY . . . . . . . . . . . . . . . 99.6 50.92 1.35 Allowed Glycine 0 CA--C 1.529 0.962 0 C-N-CA 125.946 1.736 . . . . 10.0 113.684 170.358 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1898 ' ' LEU . . . . . . . . . . . . . 3.1 tm? -76.07 135.35 39.9 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 124.689 1.196 . . . . 10.0 111.062 169.205 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1899 ' ' SER . . . . . . . . . . . . . 23.0 t -151.19 146.41 26.08 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 125.448 1.499 . . . . 10.0 110.023 168.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1900 ' ' LEU . . . . . . . . . . . . . 3.9 pp -151.69 164.5 36.8 Favored 'General case' 0 C--O 1.239 0.529 0 C-N-CA 124.467 1.107 . . . . 10.0 113.924 174.241 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1901 ' ' ALA . . . . . . . . . . . . . . . -151.47 171.12 18.04 Favored 'General case' 0 CA--C 1.554 1.107 0 C-N-CA 124.786 1.234 . . . . 10.0 111.11 169.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1902 ' ' ILE . . . . . . . . . . . . . 1.8 mp -114.57 136.47 51.09 Favored 'Isoleucine or valine' 0 C--O 1.238 0.466 0 C-N-CA 125.619 1.568 . . . . 10.0 108.85 170.369 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1903 ' ' GLU . . . . . . . . . . . . . 87.9 mt-10 -113.08 165.99 11.84 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 127.005 2.122 . . . . 10.0 111.42 169.612 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1904 ' ' GLY . . . . . . . . . . . . . . . 166.24 -165.38 38.18 Favored Glycine 0 CA--C 1.535 1.287 0 O-C-N 121.766 -0.584 . . . . 10.0 112.759 -178.38 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1905 ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -73.43 -22.65 18.3 Favored 'Trans proline' 0 CA--C 1.538 0.694 0 C-N-CA 121.909 1.74 . . . . 10.0 113.581 178.327 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1906 ' ' SER . . . . . . . . . . . . . 10.1 t -142.13 10.41 1.93 Allowed 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 126.181 1.792 . . . . 10.0 113.657 -168.595 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1907 ' ' LYS . . . . . . . . . . . . . 37.9 ttmt 37.35 91.19 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 129.949 3.3 . . . . 10.0 115.856 171.131 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1908 ' ' ALA . . . . . . . . . . . . . . . -54.54 147.27 14.46 Favored 'General case' 0 CA--C 1.553 1.084 0 N-CA-C 114.382 1.253 . . . . 10.0 114.382 -175.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1909 ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -83.12 113.99 21.01 Favored 'General case' 0 CA--C 1.536 0.434 0 O-C-N 120.716 -1.24 . . . . 10.0 112.903 -178.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1910 ' ' ILE . . . . . . . . . . . . . 30.1 mm -76.28 135.36 27.02 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.49 0 C-N-CA 125.306 1.442 . . . . 10.0 110.707 -176.286 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1911 ' ' SER . . . . . . . . . . . . . 15.5 t -142.96 167.37 22.22 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 127.221 2.209 . . . . 10.0 110.736 169.533 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1912 ' ' CYS . . . . . . . . . . . . . 28.5 p -151.35 167.21 28.62 Favored 'General case' 0 CA--C 1.541 0.609 0 O-C-N 120.271 -1.518 . . . . 10.0 113.969 -178.337 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1913 ' ' THR . . . . . . . . . . . . . 23.0 m -135.44 157.61 46.45 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 127.422 2.289 . . . . 10.0 110.126 176.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1914 ' ' ASP . . . . . . . . . . . . . 5.2 t0 -57.6 153.65 12.78 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 124.959 1.304 . . . . 10.0 112.146 175.165 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1915 ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -64.43 178.17 0.77 Allowed 'General case' 0 CA--C 1.556 1.187 0 C-N-CA 126.258 1.823 . . . . 10.0 114.163 179.391 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1916 ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -130.45 -54.24 1.09 Allowed 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.568 1.547 . . . . 10.0 112.426 172.629 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1917 ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -134.17 11.55 3.88 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 126.362 1.865 . . . . 10.0 113.733 -178.401 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1918 ' ' GLY . . . . . . . . . . . . . . . 105.47 57.69 0.66 Allowed Glycine 0 CA--C 1.544 1.87 0 C-N-CA 124.752 1.168 . . . . 10.0 112.882 -173.036 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1919 ' ' THR . . . . . . . . . . . . . 6.3 t -146.85 150.03 34.46 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.706 1.202 . . . . 10.0 112.995 175.308 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1920 ' ' CYS . . . . . 0.735 ' H ' ' CG2' ' A' 1888 ' ' VAL . 5.5 t -92.08 94.73 9.38 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 130.515 3.526 . . . . 10.0 110.129 -175.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1921 ' ' SER . . . . . . . . . . . . . 71.0 m -75.2 72.82 2.3 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.082 1.353 . . . . 10.0 112.465 179.299 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1922 ' ' VAL . . . . . . . . . . . . . 79.8 t -80.23 125.36 39.02 Favored 'Isoleucine or valine' 0 C--O 1.247 0.958 0 C-N-CA 126.316 1.846 . . . . 10.0 111.152 177.26 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1923 ' ' SER . . . . . . . . . . . . . 68.5 m -117.24 121.52 41.43 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 125.121 1.369 . . . . 10.0 108.602 169.5 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1924 ' ' TYR . . . . . . . . . . . . . 28.0 p90 -121.04 145.93 47.25 Favored 'General case' 0 CA--C 1.536 0.432 0 O-C-N 121.048 -1.032 . . . . 10.0 111.423 177.179 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1925 ' ' LEU . . . . . . . . . . . . . 1.8 mt -120.62 94.28 48.77 Favored Pre-proline 0 CA--C 1.549 0.927 0 C-N-CA 124.64 1.176 . . . . 10.0 111.701 -173.664 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1926 ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -71.98 133.8 22.26 Favored 'Trans proline' 0 CA--C 1.545 1.072 0 C-N-CA 122.307 2.005 . . . . 10.0 109.563 169.068 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1927 ' ' VAL . . . . . . . . . . . . . 31.4 m -103.52 -17.64 7.06 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 C-N-CA 124.499 1.12 . . . . 10.0 113.532 -173.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1928 ' ' LEU . . . . . . . . . . . . . 1.3 mp -138.23 150.74 67.85 Favored Pre-proline 0 CA--C 1.555 1.15 0 C-N-CA 125.113 1.365 . . . . 10.0 111.421 169.549 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1929 ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -57.08 158.11 18.75 Favored 'Trans proline' 0 N--CA 1.478 0.611 0 C-N-CA 123.047 2.498 . . . . 10.0 113.959 -178.009 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1930 ' ' GLY . . . . . . . . . . . . . . . 166.9 179.08 39.78 Favored Glycine 0 CA--C 1.533 1.187 0 N-CA-C 116.355 1.302 . . . . 10.0 116.355 -176.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1931 ' ' ASP . . . . . . . . . . . . . 10.9 t70 -109.78 68.52 0.67 Allowed 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 127.325 2.25 . . . . 10.0 109.05 179.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1932 ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -68.56 159.51 31.74 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 125.135 1.374 . . . . 10.0 111.952 -170.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1933 ' ' SER . . . . . . . . . . . . . 49.9 m -116.6 135.5 53.75 Favored 'General case' 0 N--CA 1.478 0.949 0 O-C-N 121.223 -0.923 . . . . 10.0 111.302 173.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1934 ' ' ILE . . . . . . . . . . . . . 7.2 mm -95.91 119.38 43.89 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.939 0 C-N-CA 124.061 0.945 . . . . 10.0 108.483 171.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1935 ' ' LEU . . . . . . . . . . . . . 3.2 mm? -110.78 96.3 6.08 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 125.122 1.369 . . . . 10.0 108.847 -178.127 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1936 ' ' VAL . . . . . . . . . . . . . 11.3 t -104.09 140.51 21.99 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 C-N-CA 123.802 0.841 . . . . 10.0 110.082 177.424 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1937 ' ' LYS . . . . . . . . . . . . . 68.3 mttm -131.09 148.32 52.72 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 127.475 2.31 . . . . 10.0 111.172 174.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1938 ' ' TYR . . . . . . . . . . . . . 41.4 t80 -137.74 120.52 16.36 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 125.557 1.543 . . . . 10.0 110.051 168.129 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1939 ' ' ASN . . . . . . . . . . . . . 3.8 t-20 51.6 68.24 0.83 Allowed 'General case' 0 CA--C 1.556 1.21 0 C-N-CA 125.797 1.639 . . . . 10.0 113.886 -179.644 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1940 ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 73.08 -2.06 2.85 Favored 'General case' 0 CA--C 1.558 1.269 0 C-N-CA 128.803 2.841 . . . . 10.0 116.515 170.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1941 ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -141.23 167.61 21.76 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-N 119.408 1.003 . . . . 10.0 113.491 174.096 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1942 ' ' HIS . . . . . . . . . . . . . 87.7 m-70 -64.26 151.9 42.44 Favored 'General case' 0 N--CA 1.481 1.086 0 N-CA-C 114.461 1.282 . . . . 10.0 114.461 -179.016 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1943 ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -67.48 163.85 43.67 Favored Pre-proline 0 CA--C 1.539 0.52 0 C-N-CA 125.706 1.602 . . . . 10.0 113.977 -178.065 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1944 ' ' PRO . . . . . . . . . . . . . 33.9 Cg_exo -58.19 105.12 0.2 Allowed 'Trans proline' 0 CA--C 1.538 0.685 0 C-N-CA 125.108 3.872 . . . . 10.0 111.739 177.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1945 ' ' GLY . . . . . . . . . . . . . . . 91.82 -2.74 76.9 Favored Glycine 0 CA--C 1.538 1.53 0 C-N-CA 125.5 1.524 . . . . 10.0 116.39 -179.075 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1946 ' ' SER . . . . . . . . . . . . . 2.7 m -66.56 161.12 62.36 Favored Pre-proline 0 N--CA 1.481 1.101 0 CA-C-N 120.136 1.968 . . . . 10.0 112.076 170.52 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1947 ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -73.95 172.75 59.91 Favored 'Cis proline' 0 CA--C 1.551 1.329 0 CA-C-N 118.939 0.657 . . . . 10.0 112.779 -9.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1948 ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -120.59 169.74 10.08 Favored 'General case' 0 CA--C 1.556 1.194 0 C-N-CA 126.139 1.776 . . . . 10.0 111.114 173.468 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1949 ' ' THR . . . . . . . . . . . . . 17.6 m -137.8 99.39 3.9 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.668 1.187 . . . . 10.0 112.044 -173.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1950 ' ' ALA . . . . . . . . . . . . . . . -91.28 107.28 19.09 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 126.16 1.784 . . . . 10.0 113.298 -174.37 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1951 ' ' ARG . . . . . . . . . . . . . 35.7 ttm180 -90.31 94.99 9.97 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 122.873 1.32 . . . . 10.0 114.345 -179.088 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1952 ' ' VAL . . . . . . . . . . . . . 42.1 t -58.83 114.21 0.8 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 C-N-CA 129.449 3.099 . . . . 10.0 112.193 169.479 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1953 ' ' THR . . . . . . . . . . . . . 6.2 t -67.09 -37.4 83.88 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 114.476 1.287 . . . . 10.0 114.476 -169.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1954 ' ' GLY . . . . . . . . . . . . . . . 67.33 78.72 0.25 Allowed Glycine 0 CA--C 1.534 1.23 0 C-N-CA 124.664 1.126 . . . . 10.0 113.68 -177.214 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1955 ' ' ASP . . . . . . . . . . . . . 31.3 t70 -67.04 -26.05 66.56 Favored 'General case' 0 CA--C 1.555 1.163 0 N-CA-C 114.574 1.324 . . . . 10.0 114.574 178.664 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1956 ' ' ASP . . . . . . . . . . . . . 20.4 t70 . . . . . 0 N--CA 1.488 1.445 0 C-N-CA 130.551 3.541 . . . . 10.0 116.679 179.438 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.25 0 N-CA-C 112.052 -0.419 . . . . 10.0 112.052 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' -3' ' ' ALA . . . . . . . . . . . . . . . -137.71 177.18 8.07 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 125.997 1.719 . . . . 10.0 111.715 174.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 16.3 tpt -137.73 121.75 17.84 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 125.728 1.611 . . . . 10.0 111.143 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' -1' ' ' VAL . . . . . . . . . . . . . 60.0 t -74.88 122.04 27.6 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 C-N-CA 125.52 1.528 . . . . 10.0 110.127 177.451 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1863 ' ' VAL . . . . . . . . . . . . . 27.6 m -128.06 9.11 3.09 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 C-N-CA 124.121 0.968 . . . . 10.0 113.56 -177.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1864 ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -78.29 0.17 26.39 Favored 'General case' 0 CA--C 1.555 1.141 0 N-CA-C 116.063 1.875 . . . . 10.0 116.063 -173.026 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1865 ' ' CYS . . . . . . . . . . . . . 83.9 m 58.29 -4.14 0.06 Allowed 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 128.587 2.755 . . . . 10.0 118.028 176.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1866 ' ' GLY . . . . . . . . . . . . . . . 89.1 16.05 58.23 Favored Glycine 0 CA--C 1.535 1.335 0 C-N-CA 124.997 1.284 . . . . 10.0 114.4 -176.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1867 ' ' HIS . . . . . . . . . . . . . 7.5 t-80 33.19 -105.39 0.03 OUTLIER 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 129.517 3.127 . . . . 10.0 116.431 173.755 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1868 ' ' VAL . . . . . . . . . . . . . 10.8 p -133.34 138.35 51.39 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 C-N-CA 125.439 1.496 . . . . 10.0 112.941 -179.241 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1869 ' ' THR . . . . . . . . . . . . . 43.5 p -142.05 165.16 28.22 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 125.877 1.671 . . . . 10.0 112.122 179.15 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1870 ' ' ALA . . . . . . . . . . . . . . . -134.38 130.05 36.31 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.669 1.588 . . . . 10.0 110.515 172.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1871 ' ' TYR . . . . . . . . . . . . . 40.8 p90 -156.86 173.14 17.43 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 124.682 1.193 . . . . 10.0 111.728 -172.147 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1872 ' ' GLY . . . . . . . . . . . . . . . 117.54 167.63 14.34 Favored Glycine 0 CA--C 1.551 2.317 0 C-N-CA 125.179 1.371 . . . . 10.0 114.167 175.156 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1873 ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -68.22 -27.97 34.37 Favored 'Trans proline' 0 N--CA 1.455 -0.748 0 C-N-CA 122.03 1.82 . . . . 10.0 112.548 -175.434 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1874 ' ' GLY . . . . . . . . . . . . . . . -65.6 -3.68 15.56 Favored Glycine 0 CA--C 1.539 1.571 0 CA-C-O 118.131 -1.372 . . . . 10.0 116.372 178.149 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1875 ' ' LEU . . . . . . . . . . . . . 61.0 mt -93.99 -10.76 32.56 Favored 'General case' 0 CA--C 1.552 1.037 0 CA-C-N 120.481 2.141 . . . . 10.0 113.399 169.033 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1876 ' ' THR . . . . . . . . . . . . . 80.8 p -135.51 -15.55 1.87 Allowed 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 125.092 1.357 . . . . 10.0 114.006 -171.331 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1877 ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -145.13 -179.29 6.53 Favored 'General case' 0 CA--C 1.555 1.146 0 C-N-CA 128.286 2.635 . . . . 10.0 112.073 177.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1878 ' ' GLY . . . . . . . . . . . . . . . -173.85 175.09 46.45 Favored Glycine 0 N--CA 1.483 1.784 0 O-C-N 120.471 -1.393 . . . . 10.0 113.315 178.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1879 ' ' VAL . . . . . . . . . . . . . 19.6 t -133.79 108.56 11.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 125.398 1.479 . . . . 10.0 109.957 176.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1880 ' ' VAL . . . . . 0.504 HG23 HG12 ' A' 1952 ' ' VAL . 94.1 t -61.25 134.6 26.59 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.285 0 O-C-N 120.674 -1.266 . . . . 10.0 110.848 177.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1881 ' ' ASN . . . . . . . . . . . . . 87.1 m-20 67.14 8.62 6.32 Favored 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 127.391 2.277 . . . . 10.0 116.722 -176.443 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1882 ' ' LYS . . . . . . . . . . . . . 1.7 tttp -124.14 147.06 53.38 Favored Pre-proline 0 N--CA 1.482 1.141 0 CA-C-N 119.116 0.871 . . . . 10.0 111.608 168.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1883 ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -51.43 112.44 0.81 Allowed 'Trans proline' 0 C--N 1.357 1.016 0 C-N-CA 124.107 3.205 . . . . 10.0 112.859 172.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1884 ' ' ALA . . . . . . . . . . . . . . . -94.92 153.67 17.57 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.47 1.108 . . . . 10.0 109.869 174.458 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1885 ' ' THR . . . . . . . . . . . . . 57.5 p -148.66 151.52 35.09 Favored 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 114.061 1.134 . . . . 10.0 114.061 -173.362 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1886 ' ' PHE . . . . . . . . . . . . . 22.9 p90 -143.44 162.66 35.22 Favored 'General case' 0 C--O 1.244 0.783 0 C-N-CA 125.161 1.384 . . . . 10.0 109.917 166.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1887 ' ' THR . . . . . . . . . . . . . 48.0 m -112.88 133.03 55.05 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.091 0.956 . . . . 10.0 110.131 -169.638 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1888 ' ' VAL . . . . . . . . . . . . . 5.2 m -127.71 143.87 39.35 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 C-N-CA 125.8 1.64 . . . . 10.0 108.153 167.645 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1889 ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -136.61 95.56 3.17 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 126.179 1.792 . . . . 10.0 110.797 -166.666 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1890 ' ' THR . . . . . . . . . . . . . 40.9 p -94.37 20.0 8.83 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 128.617 2.767 . . . . 10.0 113.854 -173.218 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1891 ' ' LYS . . . . . . . . . . . . . 22.5 pttm -31.74 -49.26 0.17 Allowed 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 130.234 3.413 . . . . 10.0 116.348 -177.266 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 37.7 t70 -118.13 5.05 11.98 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 125.783 1.633 . . . . 10.0 112.376 -177.48 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1893 ' ' ALA . . . . . . . . . . . . . . . -87.13 14.04 8.35 Favored 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 128.852 2.861 . . . . 10.0 114.757 -169.321 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -50.02 147.28 7.37 Favored Glycine 0 CA--C 1.543 1.794 0 C-N-CA 126.807 2.146 . . . . 10.0 113.286 -177.513 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1895 ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 63.75 5.72 2.38 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 126.784 2.034 . . . . 10.0 115.707 -174.165 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1896 ' ' GLY . . . . . . . . . . . . . . . -94.68 144.89 17.43 Favored Glycine 0 N--CA 1.474 1.218 0 C-N-CA 124.308 0.956 . . . . 10.0 113.406 173.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1897 ' ' GLY . . . . . . . . . . . . . . . -90.62 71.59 2.02 Favored Glycine 0 CA--C 1.528 0.847 0 C-N-CA 125.246 1.403 . . . . 10.0 113.689 -173.302 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1898 ' ' LEU . . . . . . . . . . . . . 3.2 tm? -65.46 118.35 9.29 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 125.127 1.371 . . . . 10.0 109.445 170.158 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1899 ' ' SER . . . . . . . . . . . . . 21.4 t -149.1 148.63 29.91 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 125.329 1.452 . . . . 10.0 111.287 176.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1900 ' ' LEU . . . . . . . . . . . . . 1.7 pp -154.65 171.68 19.1 Favored 'General case' 0 C--O 1.237 0.415 0 N-CA-C 115.745 1.757 . . . . 10.0 115.745 -178.414 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1901 ' ' ALA . . . . . . . . . . . . . . . -154.04 173.97 15.3 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.794 1.238 . . . . 10.0 111.843 168.55 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1902 ' ' ILE . . . . . . . . . . . . . 1.3 mp -123.0 145.99 29.01 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.871 0 C-N-CA 126.672 1.989 . . . . 10.0 110.689 175.524 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1903 ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -124.19 168.97 12.2 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 126.164 1.786 . . . . 10.0 110.048 170.502 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1904 ' ' GLY . . . . . . . . . . . . . . . 167.03 -163.0 36.79 Favored Glycine 0 CA--C 1.539 1.534 0 C-N-CA 123.863 0.744 . . . . 10.0 112.72 -178.558 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1905 ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -70.09 -17.59 36.0 Favored 'Trans proline' 0 C--N 1.355 0.9 0 C-N-CA 123.887 3.058 . . . . 10.0 112.787 172.143 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1906 ' ' SER . . . . . . . . . . . . . 9.1 t -151.36 170.93 18.36 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 128.992 2.917 . . . . 10.0 109.48 -168.609 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1907 ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -91.22 173.24 8.03 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.719 1.208 . . . . 10.0 111.97 175.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1908 ' ' ALA . . . . . . . . . . . . . . . -140.31 155.2 46.91 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.902 1.281 . . . . 10.0 110.932 171.185 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1909 ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -86.06 83.48 7.75 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.424 1.49 . . . . 10.0 111.855 -176.489 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1910 ' ' ILE . . . . . . . . . . . . . 11.6 mm -68.4 133.21 32.11 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 C-N-CA 124.636 1.174 . . . . 10.0 111.822 -173.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1911 ' ' SER . . . . . . . . . . . . . 16.0 t -146.88 97.42 2.9 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 126.409 1.884 . . . . 10.0 112.017 171.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1912 ' ' CYS . . . . . . . . . . . . . 26.4 p -69.82 149.27 48.08 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-O 121.676 0.75 . . . . 10.0 112.171 170.579 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1913 ' ' THR . . . . . . . . . . . . . 44.2 m -78.87 154.42 29.79 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.718 1.207 . . . . 10.0 112.459 168.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1914 ' ' ASP . . . . . . . . . . . . . 21.4 t0 -135.75 93.2 2.91 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.64 1.576 . . . . 10.0 110.895 170.437 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1915 ' ' ASN . . . . . . . . . . . . . 61.2 t-20 -123.7 133.68 53.84 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 125.455 1.502 . . . . 10.0 110.832 -170.615 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1916 ' ' GLN . . . . . . . . . . . . . 27.3 mp0 -60.69 -8.48 2.97 Favored 'General case' 0 CA--C 1.553 1.075 0 C-N-CA 126.093 1.757 . . . . 10.0 113.974 174.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1917 ' ' ASP . . . . . . . . . . . . . 32.9 t70 -80.31 -11.56 59.7 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 126.069 1.747 . . . . 10.0 112.723 176.617 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1918 ' ' GLY . . . . . . . . . . . . . . . 90.67 53.84 2.19 Favored Glycine 0 C--N 1.339 0.727 0 C-N-CA 125.544 1.545 . . . . 10.0 113.603 177.617 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1919 ' ' THR . . . . . . . . . . . . . 71.6 p -136.74 155.61 49.61 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 124.523 1.129 . . . . 10.0 111.044 174.302 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1920 ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -123.39 4.52 9.07 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 124.624 1.169 . . . . 10.0 113.086 175.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1921 ' ' SER . . . . . . . . . . . . . 60.3 m -8.33 99.56 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 130.067 3.347 . . . . 10.0 116.207 -179.666 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1922 ' ' VAL . . . . . . . . . . . . . 59.5 t -80.05 106.12 10.67 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.675 0 C-N-CA 125.626 1.57 . . . . 10.0 111.651 -176.468 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1923 ' ' SER . . . . . . . . . . . . . 68.1 m -89.4 144.03 26.37 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 124.344 1.057 . . . . 10.0 108.607 165.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1924 ' ' TYR . . . . . . . . . . . . . 24.4 p90 -148.43 165.62 30.59 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.763 1.625 . . . . 10.0 109.889 173.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1925 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -136.19 93.18 15.18 Favored Pre-proline 0 N--CA 1.479 0.982 0 O-C-N 120.909 -1.119 . . . . 10.0 109.667 -176.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1926 ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -72.18 139.35 32.26 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 122.496 2.131 . . . . 10.0 109.757 178.211 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1927 ' ' VAL . . . . . . . . . . . . . 28.7 m -112.64 -7.62 11.94 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 C-N-CA 124.675 1.19 . . . . 10.0 113.59 -174.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1928 ' ' LEU . . . . . . . . . . . . . 3.8 tt -146.12 135.13 11.19 Favored Pre-proline 0 CA--C 1.549 0.938 0 C-N-CA 125.093 1.357 . . . . 10.0 110.124 -177.487 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1929 ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo -51.56 132.18 39.75 Favored 'Trans proline' 0 N--CA 1.491 1.341 0 C-N-CA 123.912 3.075 . . . . 10.0 114.459 175.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1930 ' ' GLY . . . . . . . . . . . . . . . -172.57 173.63 45.45 Favored Glycine 0 CA--C 1.528 0.873 0 N-CA-C 116.435 1.334 . . . . 10.0 116.435 -174.651 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1931 ' ' ASP . . . . . . . . . . . . . 33.7 m-20 -104.91 61.75 0.7 Allowed 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 127.071 2.148 . . . . 10.0 110.474 178.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1932 ' ' TYR . . . . . . . . . . . . . 56.0 m-85 -63.2 115.46 4.53 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.287 1.035 . . . . 10.0 113.628 -168.622 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1933 ' ' SER . . . . . . . . . . . . . 66.4 m -74.02 145.84 44.22 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-O 121.376 0.608 . . . . 10.0 110.826 172.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1934 ' ' ILE . . . . . . . . . . . . . 3.9 mm -114.94 124.46 71.62 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 C-N-CA 126.562 1.945 . . . . 10.0 109.666 175.442 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1935 ' ' LEU . . . . . . . . . . . . . 2.8 mm? -117.36 95.35 4.93 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 125.185 1.394 . . . . 10.0 109.837 -173.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1936 ' ' VAL . . . . . . . . . . . . . 15.9 t -105.84 138.73 29.73 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 O-C-N 120.895 -1.128 . . . . 10.0 109.79 -177.097 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1937 ' ' LYS . . . . . . . . . . . . . 98.3 mttt -129.39 151.65 49.79 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.873 1.669 . . . . 10.0 111.185 174.006 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1938 ' ' TYR . . . . . . . . . . . . . 80.3 t80 -137.22 103.41 5.1 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 108.246 -1.02 . . . . 10.0 108.246 171.25 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1939 ' ' ASN . . . . . . . . . . . . . 1.2 t30 59.52 73.87 0.46 Allowed 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 127.608 2.363 . . . . 10.0 113.013 -169.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1940 ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 58.03 -9.25 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.747 0 C-N-CA 129.939 3.295 . . . . 10.0 117.815 175.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1941 ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -111.33 145.32 39.04 Favored 'General case' 0 C--O 1.238 0.461 0 C-N-CA 126.022 1.729 . . . . 10.0 110.202 177.18 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1942 ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -62.03 148.75 43.03 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-O 121.772 0.796 . . . . 10.0 113.147 175.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1943 ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.82 166.39 15.7 Favored Pre-proline 0 CA--C 1.549 0.912 0 C-N-CA 126.41 1.884 . . . . 10.0 113.106 -174.54 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1944 ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -58.52 1.54 0.26 Allowed 'Trans proline' 0 CA--C 1.55 1.323 1 C-N-CA 126.84 5.027 . . . . 10.0 118.046 -172.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1945 ' ' GLY . . . . . . . . . . . . . . . -148.82 2.97 0.67 Allowed Glycine 0 CA--C 1.539 1.584 0 C-N-CA 126.779 2.133 . . . . 10.0 115.47 176.603 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1946 ' ' SER . . . . . . . . . . . . . 1.5 m -76.35 162.32 71.53 Favored Pre-proline 0 N--CA 1.482 1.148 0 CA-C-N 120.282 2.041 . . . . 10.0 112.52 -175.485 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1947 ' ' PRO . . . . . . . . . . . . . 64.8 Cg_endo -73.03 172.57 59.58 Favored 'Cis proline' 0 CA--C 1.537 0.64 0 CA-C-O 121.515 0.548 . . . . 10.0 112.775 -10.706 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1948 ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -120.89 168.59 11.31 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.369 1.468 . . . . 10.0 111.328 173.317 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1949 ' ' THR . . . . . . . . . . . . . 24.6 m -142.44 99.08 3.42 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 124.73 1.212 . . . . 10.0 110.293 -179.266 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1950 ' ' ALA . . . . . . . . . . . . . . . -70.72 163.72 26.57 Favored 'General case' 0 N--CA 1.446 -0.631 0 C-N-CA 125.485 1.514 . . . . 10.0 113.077 175.063 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1951 ' ' ARG . . . . . . . . . . . . . 19.6 ttm180 -134.0 78.49 1.76 Allowed 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 126.124 1.77 . . . . 10.0 110.347 178.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1952 ' ' VAL . . . . . 0.504 HG12 HG23 ' A' 1880 ' ' VAL . 3.0 t -66.23 97.74 0.27 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.543 0 C-N-CA 127.245 2.218 . . . . 10.0 111.559 177.178 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1953 ' ' THR . . . . . . . . . . . . . 35.2 p -70.51 129.49 39.38 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.011 0.924 . . . . 10.0 111.819 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1954 ' ' GLY . . . . . . . . . . . . . . . -85.67 179.51 50.23 Favored Glycine 0 CA--C 1.534 1.272 0 C-N-CA 126.549 2.023 . . . . 10.0 113.622 177.572 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1955 ' ' ASP . . . . . . . . . . . . . 33.0 t70 -124.15 -29.14 3.62 Favored 'General case' 0 CA--C 1.558 1.257 0 C-N-CA 125.278 1.431 . . . . 10.0 113.609 175.438 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1956 ' ' ASP . . . . . . . . . . . . . 28.9 t70 . . . . . 0 C--O 1.258 1.552 0 C-N-CA 124.527 1.131 . . . . 10.0 112.898 177.374 . . . . . . . . 0 0 . 1 stop_ save_